#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 h ILE 3 N 0.00 1.05 -0.64 -2.13 2.04 -2.00 0.39 117.51 116.22 3ag4 h ILE 3 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ag4 h ILE 3 Cb 0.00 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3ag4 h ILE 3 CO 0.00 0.12 0.41 0.78 0.00 0.00 0.00 178.15 179.46 3ag4 h ASN 4 N 0.65 0.74 -0.07 1.72 2.35 -1.95 0.12 115.58 119.14 3ag4 h ASN 4 Ca 0.22 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 3ag4 h ASN 4 Cb 0.03 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.23 3ag4 h ASN 4 CO -0.10 0.56 -0.61 -0.09 -1.65 0.00 0.00 177.43 175.53 3ag4 h ARG 5 N 0.86 0.55 0.00 0.81 2.43 -1.82 -3.14 114.38 114.06 3ag4 h ARG 5 Ca 0.23 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3ag4 h ARG 5 Cb -0.07 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3ag4 h ARG 5 CO -0.05 1.12 -1.58 0.91 -1.51 0.00 0.00 179.97 178.86 3ag4 n TRP 6 N -4.16 0.00 -0.03 2.20 7.02 0.10 -3.47 117.44 119.10 3ag4 n TRP 6 Ca -0.09 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.41 3ag4 n TRP 6 Cb 0.66 -0.30 -0.12 0.00 -2.42 0.00 0.00 31.31 29.13 3ag4 n TRP 6 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ag4 n LEU 7 N -1.95 0.00 -0.63 -0.99 4.32 0.34 -4.61 117.00 113.48 3ag4 n LEU 7 Ca -0.02 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.05 3ag4 n LEU 7 Cb 0.36 0.15 0.21 0.00 -1.62 0.00 0.00 43.42 42.53 3ag4 n LEU 7 CO 0.30 0.15 0.66 0.49 -1.22 0.00 0.00 177.39 177.77 3ag4 n PHE 8 N -2.24 0.63 -1.59 -1.77 3.72 -0.73 -5.03 117.46 110.46 3ag4 n PHE 8 Ca -0.11 -0.88 -0.41 0.00 -0.05 0.00 0.00 57.45 56.00 3ag4 n PHE 8 Cb 0.64 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 3ag4 n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ag4 n SER 9 N -0.70 0.89 -0.48 4.37 2.88 -1.23 -4.89 113.62 114.47 3ag4 n SER 9 Ca 0.19 0.99 0.04 0.00 -1.33 0.00 0.00 58.87 58.75 3ag4 n SER 9 Cb 0.78 -1.32 0.06 0.00 -0.75 0.00 0.00 64.21 62.97 3ag4 n SER 9 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ag4 n THR 10 N -0.71 0.69 -4.43 2.46 -2.24 -1.26 -4.60 114.28 104.18 3ag4 n THR 10 Ca 0.10 -0.96 -0.34 0.00 -2.27 0.00 0.00 64.05 60.59 3ag4 n THR 10 Cb 0.40 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3ag4 n THR 10 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ag4 s ASN 11 N -1.78 4.81 0.40 3.42 3.84 -1.26 -4.73 114.94 119.63 3ag4 s ASN 11 Ca 0.15 -0.09 0.17 0.00 0.21 0.00 0.00 52.86 53.30 3ag4 s ASN 11 Cb 0.14 -1.68 0.85 0.00 -0.55 0.00 0.00 41.25 40.02 3ag4 s ASN 11 CO -0.01 0.21 1.85 1.12 -2.79 0.00 0.00 177.10 177.48 3ag4 h HIS 12 N 6.38 0.00 0.00 0.43 2.07 -1.91 -1.74 115.15 120.38 3ag4 h HIS 12 Ca -0.35 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3ag4 h HIS 12 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3ag4 h HIS 12 CO 0.54 0.33 -0.00 0.87 -3.07 0.00 0.00 177.93 176.60 3ag4 h LYS 13 N 0.00 -0.00 -0.88 5.12 1.57 -1.91 -1.26 116.57 119.21 3ag4 h LYS 13 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ag4 h LYS 13 Cb 0.67 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 3ag4 h LYS 13 CO 0.04 0.88 0.51 -0.44 -0.57 0.00 0.00 179.45 179.88 3ag4 h ASP 14 N -0.93 1.07 -0.21 0.86 3.45 -1.93 -0.23 116.42 118.49 3ag4 h ASP 14 Ca -0.00 -0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.25 3ag4 h ASP 14 Cb 0.89 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 3ag4 h ASP 14 CO 0.00 0.83 -0.35 0.40 -1.57 0.00 0.00 179.24 178.56 3ag4 h ILE 15 N 1.22 1.28 -0.85 0.35 2.04 -1.38 -0.95 117.51 119.23 3ag4 h ILE 15 Ca 0.31 -1.50 0.02 0.00 1.00 0.00 0.00 64.86 64.70 3ag4 h ILE 15 Cb -0.03 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3ag4 h ILE 15 CO -0.06 0.49 0.55 1.23 0.00 0.00 0.00 178.15 180.36 3ag4 h GLY 16 N 0.95 1.22 1.02 5.37 0.00 -0.56 -1.89 103.07 109.19 3ag4 h GLY 16 Ca 0.06 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3ag4 h GLY 16 CO 0.08 0.38 0.05 -0.84 0.00 0.00 0.00 176.54 176.21 3ag4 h THR 17 N 1.09 1.26 -0.28 4.70 2.02 -0.69 -1.80 112.91 119.21 3ag4 h THR 17 Ca 0.33 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3ag4 h THR 17 Cb -0.04 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3ag4 h THR 17 CO -0.10 0.37 0.15 -0.07 0.37 0.00 0.00 175.52 176.24 3ag4 h LEU 18 N 0.82 0.36 -1.12 2.58 3.38 -0.74 -2.03 115.31 118.57 3ag4 h LEU 18 Ca 0.16 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.19 3ag4 h LEU 18 Cb 0.47 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3ag4 h LEU 18 CO 0.02 0.35 0.61 1.88 0.09 0.00 0.00 178.44 181.39 3ag4 h TYR 19 N 0.34 0.99 -0.40 1.13 0.05 -1.15 -0.68 116.97 117.25 3ag4 h TYR 19 Ca 0.10 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.81 3ag4 h TYR 19 Cb 0.08 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 3ag4 h TYR 19 CO -0.03 0.31 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.19 3ag4 h LEU 20 N 0.79 0.80 -0.00 3.88 3.38 -1.11 0.11 115.31 123.16 3ag4 h LEU 20 Ca 0.51 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ag4 h LEU 20 Cb 0.75 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ag4 h LEU 20 CO -0.28 1.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.18 3ag4 h LEU 21 N 0.60 0.00 -0.24 1.67 3.38 -1.21 0.55 115.31 120.05 3ag4 h LEU 21 Ca 0.10 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3ag4 h LEU 21 Cb 0.67 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3ag4 h LEU 21 CO 0.05 0.06 -0.08 0.15 0.09 0.00 0.00 178.44 178.71 3ag4 h PHE 22 N -0.06 -0.17 -0.39 1.13 3.57 -1.04 -1.98 116.94 118.00 3ag4 h PHE 22 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3ag4 h PHE 22 Cb 0.06 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3ag4 h PHE 22 CO -0.06 -0.13 -0.11 0.78 -2.23 0.00 0.00 178.31 176.56 3ag4 h GLY 23 N -0.03 0.75 0.99 2.40 0.00 -0.71 -0.55 103.07 105.93 3ag4 h GLY 23 Ca 0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3ag4 h GLY 23 CO -0.26 0.51 0.15 0.00 0.00 0.00 0.00 176.54 176.93 3ag4 h ALA 24 N 1.24 0.72 -0.25 3.60 0.00 -0.73 -0.71 119.26 123.14 3ag4 h ALA 24 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ag4 h ALA 24 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ag4 h ALA 24 CO 0.03 0.41 0.13 2.35 0.00 0.00 0.00 179.25 182.17 3ag4 h TRP 25 N 0.77 0.34 -0.73 0.00 7.01 -1.17 -2.33 115.95 119.85 3ag4 h TRP 25 Ca 0.17 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.24 3ag4 h TRP 25 Cb 0.32 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.20 3ag4 h TRP 25 CO 0.02 0.31 0.40 0.00 -2.79 0.00 0.00 178.44 176.38 3ag4 h ALA 26 N 1.00 1.00 -0.77 2.65 0.00 -1.04 -1.56 119.26 120.54 3ag4 h ALA 26 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3ag4 h ALA 26 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3ag4 h ALA 26 CO -0.01 0.05 0.50 0.78 0.00 0.00 0.00 179.25 180.57 3ag4 h GLY 27 N 0.71 1.04 1.74 0.00 0.00 -0.83 0.25 103.07 105.98 3ag4 h GLY 27 Ca 0.34 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 3ag4 h GLY 27 CO -0.22 0.24 -0.57 -0.33 0.00 0.00 0.00 176.54 175.66 3ag4 h MET 28 N 0.81 0.27 -0.17 4.80 2.07 -0.75 -0.74 114.93 121.22 3ag4 h MET 28 Ca 0.33 -0.18 -0.07 0.00 -2.07 0.00 0.00 59.70 57.72 3ag4 h MET 28 Cb 0.26 0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3ag4 h MET 28 CO -0.12 0.77 -0.16 0.28 1.07 0.00 0.00 176.91 178.75 3ag4 h VAL 29 N 0.21 1.34 0.00 -2.22 2.07 -0.67 -1.66 116.25 115.33 3ag4 h VAL 29 Ca -0.00 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3ag4 h VAL 29 Cb 1.06 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3ag4 h VAL 29 CO 0.09 0.39 -0.44 1.23 0.02 0.00 0.00 177.57 178.86 3ag4 h GLY 30 N 0.05 0.00 0.65 2.17 0.00 -0.48 -1.50 103.07 103.96 3ag4 h GLY 30 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3ag4 h GLY 30 CO 0.04 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 175.73 3ag4 h THR 31 N 0.00 1.30 -0.69 4.70 2.02 -1.00 -1.52 112.91 117.72 3ag4 h THR 31 Ca -0.00 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.37 3ag4 h THR 31 Cb 0.86 1.86 -0.08 0.00 -1.74 0.00 0.00 68.15 69.06 3ag4 h THR 31 CO 0.06 0.25 0.29 0.00 0.37 0.00 0.00 175.52 176.49 3ag4 h ALA 32 N 0.64 0.94 -0.52 6.16 0.00 -1.13 -0.65 119.26 124.70 3ag4 h ALA 32 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ag4 h ALA 32 Cb 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ag4 h ALA 32 CO 0.00 -0.15 0.29 -0.07 0.00 0.00 0.00 179.25 179.32 3ag4 h LEU 33 N 0.49 0.65 -1.55 0.00 3.38 -1.18 -0.91 115.31 116.19 3ag4 h LEU 33 Ca 0.36 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3ag4 h LEU 33 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ag4 h LEU 33 CO -0.32 0.56 -0.24 0.77 0.09 0.00 0.00 178.44 179.29 3ag4 h SER 34 N 0.70 0.00 1.18 -0.43 4.64 -0.64 -1.13 113.55 117.87 3ag4 h SER 34 Ca 0.18 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 3ag4 h SER 34 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3ag4 h SER 34 CO -0.03 0.24 -0.83 -0.07 -0.87 0.00 0.00 176.83 175.27 3ag4 h LEU 35 N 0.00 0.00 -0.78 5.97 3.38 -0.60 -1.60 115.31 121.68 3ag4 h LEU 35 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3ag4 h LEU 35 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3ag4 h LEU 35 CO 0.03 0.81 -0.16 -0.07 0.09 0.00 0.00 178.44 179.13 3ag4 h LEU 36 N 0.00 0.75 0.43 1.67 3.38 -0.02 -0.81 115.31 120.72 3ag4 h LEU 36 Ca -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ag4 h LEU 36 Cb 1.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3ag4 h LEU 36 CO 0.10 0.91 -0.28 0.40 0.09 0.00 0.00 178.44 179.66 3ag4 h ILE 37 N 0.67 0.41 0.00 1.22 2.04 -1.05 -2.44 117.51 118.36 3ag4 h ILE 37 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3ag4 h ILE 37 Cb 0.65 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3ag4 h ILE 37 CO 0.05 0.00 -0.24 0.03 0.00 0.00 0.00 178.15 177.98 3ag4 h ARG 38 N -0.69 0.00 -0.29 2.37 2.47 -1.12 -2.57 114.38 114.55 3ag4 h ARG 38 Ca -0.05 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.51 3ag4 h ARG 38 Cb 0.58 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3ag4 h ARG 38 CO 0.04 0.24 -0.48 0.00 0.56 0.00 0.00 179.97 180.32 3ag4 h ALA 39 N 1.76 0.59 -0.85 0.04 0.00 -1.10 -0.17 119.26 119.53 3ag4 h ALA 39 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ag4 h ALA 39 Cb 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3ag4 h ALA 39 CO 0.03 0.68 0.51 1.49 0.00 0.00 0.00 179.25 181.96 3ag4 h GLU 40 N 0.63 1.15 -0.01 0.00 4.57 -1.10 -2.53 114.58 117.28 3ag4 h GLU 40 Ca 0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3ag4 h GLU 40 Cb 1.06 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3ag4 h GLU 40 CO 0.11 0.80 -0.22 1.28 -1.18 0.00 0.00 179.01 179.80 3ag4 n LEU 41 N -4.44 1.06 0.15 1.64 4.77 -1.00 -4.36 117.00 114.83 3ag4 n LEU 41 Ca 0.09 -0.28 0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3ag4 n LEU 41 Cb 0.05 -0.11 0.44 0.00 -2.33 0.00 0.00 43.42 41.47 3ag4 n LEU 41 CO 0.37 0.19 0.88 1.23 -1.33 0.00 0.00 177.39 178.74 3ag4 h GLY 42 N 4.92 0.00 -3.22 -0.72 0.00 -0.56 -3.40 103.07 100.09 3ag4 h GLY 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3ag4 h GLY 42 CO 0.00 0.00 -0.38 -0.86 0.00 0.00 0.00 176.54 175.30 3ag4 s GLN 43 N -3.27 0.82 0.39 4.80 -2.07 -1.26 -4.42 119.66 114.65 3ag4 s GLN 43 Ca 0.07 -0.94 -0.27 0.00 -1.82 0.00 0.00 55.36 52.39 3ag4 s GLN 43 Cb 0.10 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.26 3ag4 s GLN 43 CO 0.53 -0.26 1.36 -2.14 -1.32 0.00 0.00 175.29 173.47 3ag4 s PRO 44 N -3.77 4.06 0.00 9.60 0.02 -1.26 -4.75 135.00 138.89 3ag4 s PRO 44 Ca 0.04 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3ag4 s PRO 44 Cb 0.05 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3ag4 s PRO 44 CO -0.10 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 3ag4 n GLY 45 N 0.64 -0.31 3.30 0.52 0.00 -1.26 -5.01 105.19 103.07 3ag4 n GLY 45 Ca 0.02 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 3ag4 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag4 s THR 46 N 0.00 2.15 -0.20 2.61 -1.32 -1.26 -4.72 115.64 112.90 3ag4 s THR 46 Ca 0.00 -1.05 -0.15 0.00 -1.21 0.00 0.00 61.69 59.28 3ag4 s THR 46 Cb 0.00 -1.77 -0.08 0.00 -1.51 0.00 0.00 72.50 69.15 3ag4 s THR 46 CO 0.00 0.58 -0.32 -0.11 -2.21 0.00 0.00 174.62 172.55 3ag4 n LEU 47 N 2.69 1.83 0.19 9.08 7.94 -1.26 -4.64 117.00 132.83 3ag4 n LEU 47 Ca -0.17 0.31 0.08 0.00 -1.11 0.00 0.00 56.01 55.12 3ag4 n LEU 47 Cb 0.52 -0.72 0.19 0.00 0.53 0.00 0.00 43.42 43.93 3ag4 n LEU 47 CO 0.24 0.05 0.67 -0.07 -1.11 0.00 0.00 177.39 177.18 3ag4 h LEU 48 N -0.91 0.00 0.68 -1.96 3.38 -1.95 -3.47 115.31 111.08 3ag4 h LEU 48 Ca -0.28 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.40 3ag4 h LEU 48 Cb 1.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 3ag4 h LEU 48 CO -0.17 0.26 -0.26 0.61 0.09 0.00 0.00 178.44 178.97 3ag4 n GLY 49 N 0.92 1.46 3.00 0.83 0.00 -1.26 -4.92 105.19 105.23 3ag4 n GLY 49 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 3ag4 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag4 s ASP 50 N -2.80 -0.37 0.26 1.61 -1.08 -1.26 -5.02 116.67 108.02 3ag4 s ASP 50 Ca 0.00 -0.34 0.24 0.00 -0.52 0.00 0.00 52.55 51.93 3ag4 s ASP 50 Cb 0.00 1.44 0.47 0.00 -1.46 0.00 0.00 42.92 43.37 3ag4 s ASP 50 CO 0.00 -0.31 1.54 0.44 0.52 0.00 0.00 175.17 177.36 3ag4 h ASP 51 N 7.91 0.00 -0.66 -0.34 3.45 -1.99 -1.56 116.42 123.22 3ag4 h ASP 51 Ca -0.04 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.31 3ag4 h ASP 51 Cb 1.14 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.88 3ag4 h ASP 51 CO 0.21 0.02 0.16 -0.61 -1.57 0.00 0.00 179.24 177.45 3ag4 h GLN 52 N 0.00 1.08 -0.34 3.56 5.75 -1.95 -1.43 115.11 121.78 3ag4 h GLN 52 Ca 0.00 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.15 3ag4 h GLN 52 Cb 0.85 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 3ag4 h GLN 52 CO 0.00 0.96 -0.14 0.82 -2.65 0.00 0.00 178.83 177.81 3ag4 h ILE 53 N 1.03 1.29 -0.49 2.39 2.04 -1.63 -1.03 117.51 121.10 3ag4 h ILE 53 Ca 0.21 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.92 3ag4 h ILE 53 Cb 0.36 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 3ag4 h ILE 53 CO 0.00 0.41 0.02 0.22 0.00 0.00 0.00 178.15 178.80 3ag4 h TYR 54 N 0.47 0.02 -0.02 1.37 5.03 -1.26 -0.64 116.97 121.94 3ag4 h TYR 54 Ca 0.08 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 3ag4 h TYR 54 Cb 0.67 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 3ag4 h TYR 54 CO 0.06 -0.09 -0.40 -0.91 -1.32 0.00 0.00 178.16 175.50 3ag4 h ASN 55 N 0.14 0.04 -0.26 -2.11 2.35 -0.84 -0.77 115.58 114.12 3ag4 h ASN 55 Ca 0.25 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.81 3ag4 h ASN 55 Cb 0.37 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3ag4 h ASN 55 CO -0.39 0.43 -0.49 0.58 -1.65 0.00 0.00 177.43 175.91 3ag4 h VAL 56 N 0.03 1.28 -0.18 2.81 2.07 -0.51 -1.58 116.25 120.17 3ag4 h VAL 56 Ca 0.00 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 3ag4 h VAL 56 Cb 0.72 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3ag4 h VAL 56 CO 0.05 0.55 0.09 0.58 0.02 0.00 0.00 177.57 178.86 3ag4 h VAL 57 N 0.66 1.13 0.45 2.57 2.07 -0.26 -0.95 116.25 121.92 3ag4 h VAL 57 Ca 0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ag4 h VAL 57 Cb 1.08 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3ag4 h VAL 57 CO 0.11 0.12 -0.38 0.58 0.02 0.00 0.00 177.57 178.03 3ag4 h VAL 58 N 0.16 0.23 -0.65 2.57 2.07 -1.14 -0.53 116.25 118.96 3ag4 h VAL 58 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 3ag4 h VAL 58 Cb 0.12 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 3ag4 h VAL 58 CO -0.01 0.00 -0.16 0.74 0.02 0.00 0.00 177.57 178.16 3ag4 h THR 59 N -0.83 0.35 -0.26 2.57 2.02 -1.28 -2.33 112.91 113.16 3ag4 h THR 59 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 3ag4 h THR 59 Cb 0.71 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3ag4 h THR 59 CO -0.02 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.47 3ag4 h ALA 60 N 1.65 0.82 0.56 6.16 0.00 -1.01 -1.96 119.26 125.48 3ag4 h ALA 60 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ag4 h ALA 60 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ag4 h ALA 60 CO -0.67 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.12 3ag4 h HIS 61 N 0.51 -0.96 -0.13 0.00 6.17 -0.85 0.15 115.15 120.04 3ag4 h HIS 61 Ca 0.04 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.12 3ag4 h HIS 61 Cb 0.91 0.35 -0.01 0.00 2.52 0.00 0.00 27.41 31.17 3ag4 h HIS 61 CO 0.04 -0.55 0.06 0.00 0.71 0.00 0.00 177.93 178.20 3ag4 h ALA 62 N -0.53 0.15 -0.57 5.26 0.00 -1.24 -1.09 119.26 121.23 3ag4 h ALA 62 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3ag4 h ALA 62 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ag4 h ALA 62 CO 0.06 -0.38 0.10 0.74 0.00 0.00 0.00 179.25 179.76 3ag4 h PHE 63 N 0.14 0.94 -0.08 0.00 0.04 -1.08 -0.95 116.94 115.95 3ag4 h PHE 63 Ca 0.05 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 3ag4 h PHE 63 Cb 0.01 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 3ag4 h PHE 63 CO -0.09 0.81 -0.03 0.28 -0.60 0.00 0.00 178.31 178.68 3ag4 h VAL 64 N 0.86 1.31 -0.62 -0.55 2.07 -0.58 -0.25 116.25 118.49 3ag4 h VAL 64 Ca 0.18 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3ag4 h VAL 64 Cb 0.37 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3ag4 h VAL 64 CO 0.01 0.27 0.38 0.24 0.02 0.00 0.00 177.57 178.49 3ag4 h MET 65 N -0.20 0.83 0.11 1.57 2.86 -1.06 0.12 114.93 119.16 3ag4 h MET 65 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3ag4 h MET 65 Cb 0.45 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3ag4 h MET 65 CO 0.01 0.59 -0.05 0.82 1.06 0.00 0.00 176.91 179.34 3ag4 h ILE 66 N 0.84 0.82 0.00 -1.22 2.04 -1.15 -0.37 117.51 118.47 3ag4 h ILE 66 Ca 0.22 -1.33 -0.15 0.00 1.00 0.00 0.00 64.86 64.60 3ag4 h ILE 66 Cb -0.04 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3ag4 h ILE 66 CO -0.04 0.24 -1.17 -0.26 0.00 0.00 0.00 178.15 176.92 3ag4 h PHE 67 N -0.93 0.00 0.00 1.37 0.04 -1.12 -1.76 116.94 114.54 3ag4 h PHE 67 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3ag4 h PHE 67 Cb 0.51 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 3ag4 h PHE 67 CO 0.10 0.56 -1.47 1.19 -0.60 0.00 0.00 178.31 178.09 3ag4 n PHE 68 N -2.98 0.00 -0.06 -0.55 3.72 -0.45 -4.33 117.46 112.81 3ag4 n PHE 68 Ca -0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 3ag4 n PHE 68 Cb 0.81 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 3ag4 n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3ag4 n MET 69 N -1.88 0.42 0.13 -1.08 1.56 0.30 -4.11 117.12 112.47 3ag4 n MET 69 Ca -0.03 0.17 -0.13 0.00 -0.27 0.00 0.00 57.70 57.45 3ag4 n MET 69 Cb 0.29 -1.24 -0.08 0.00 2.15 0.00 0.00 33.22 34.34 3ag4 n MET 69 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ag4 h VAL 70 N -0.79 0.75 -0.35 1.12 2.07 -1.10 -1.79 116.25 116.15 3ag4 h VAL 70 Ca -0.04 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3ag4 h VAL 70 Cb 0.84 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3ag4 h VAL 70 CO -0.03 0.14 0.16 0.24 0.02 0.00 0.00 177.57 178.11 3ag4 h MET 71 N -0.77 0.51 -0.86 1.57 2.07 -1.56 -0.72 114.93 115.18 3ag4 h MET 71 Ca -0.04 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.51 3ag4 h MET 71 Cb 0.50 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.10 3ag4 h MET 71 CO 0.06 0.48 0.53 -1.35 1.07 0.00 0.00 176.91 177.70 3ag4 h PRO 72 N 0.43 1.16 0.26 -0.22 0.11 -1.75 -1.26 132.00 130.72 3ag4 h PRO 72 Ca 0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3ag4 h PRO 72 Cb 0.15 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3ag4 h PRO 72 CO -0.01 0.80 -0.13 0.82 -0.21 0.00 0.00 178.00 179.27 3ag4 h ILE 73 N 1.17 0.78 0.21 4.15 2.04 -1.04 0.14 117.51 124.97 3ag4 h ILE 73 Ca 0.31 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3ag4 h ILE 73 Cb -0.07 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ag4 h ILE 73 CO -0.06 0.12 -0.10 0.24 0.00 0.00 0.00 178.15 178.35 3ag4 h MET 74 N -0.68 -0.27 0.00 2.37 2.86 -1.10 0.11 114.93 118.22 3ag4 h MET 74 Ca -0.04 0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.39 3ag4 h MET 74 Cb 0.47 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3ag4 h MET 74 CO 0.06 -0.06 -1.46 -0.89 1.06 0.00 0.00 176.91 175.61 3ag4 n ILE 75 N -5.14 1.51 0.03 -1.22 5.41 -0.48 -1.69 119.36 117.78 3ag4 n ILE 75 Ca -0.09 -0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.59 3ag4 n ILE 75 Cb 0.19 -2.10 0.28 0.00 -0.71 0.00 0.00 39.64 37.30 3ag4 n ILE 75 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3ag4 h GLY 76 N -1.00 0.47 0.00 7.39 0.00 -1.37 -2.02 103.07 106.54 3ag4 h GLY 76 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3ag4 h GLY 76 CO -0.21 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.23 3ag4 n GLY 77 N -0.69 0.93 0.28 4.60 0.00 0.44 -3.19 105.19 107.57 3ag4 n GLY 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3ag4 n GLY 77 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ag4 h PHE 78 N 0.00 0.65 -0.17 1.61 -1.00 -0.81 -2.17 116.94 115.05 3ag4 h PHE 78 Ca 0.00 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 3ag4 h PHE 78 Cb 0.00 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 3ag4 h PHE 78 CO 0.00 0.59 -0.06 0.78 -1.61 0.00 0.00 178.31 178.01 3ag4 h GLY 79 N 0.87 0.38 1.00 -1.45 0.00 -0.57 0.49 103.07 103.78 3ag4 h GLY 79 Ca 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3ag4 h GLY 79 CO 0.00 0.29 0.15 3.43 0.00 0.00 0.00 176.54 180.41 3ag4 h ASN 80 N 0.05 0.85 -0.14 0.19 2.35 -1.42 -0.50 115.58 116.96 3ag4 h ASN 80 Ca 0.04 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3ag4 h ASN 80 Cb 0.51 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3ag4 h ASN 80 CO 0.02 0.86 -0.09 -0.50 -1.65 0.00 0.00 177.43 176.06 3ag4 h TRP 81 N 0.81 0.36 0.03 1.19 4.06 -1.33 -3.39 115.95 117.68 3ag4 h TRP 81 Ca 0.18 -0.10 -0.36 0.00 2.06 0.00 0.00 58.89 60.68 3ag4 h TRP 81 Cb 0.33 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.36 3ag4 h TRP 81 CO 0.02 0.67 -2.15 1.28 -3.56 0.00 0.00 178.44 174.70 3ag4 n LEU 82 N -4.63 1.72 -0.03 -4.49 4.77 0.16 -4.22 117.00 110.28 3ag4 n LEU 82 Ca -0.06 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3ag4 n LEU 82 Cb 0.32 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3ag4 n LEU 82 CO 0.38 0.69 0.88 0.58 -1.33 0.00 0.00 177.39 178.59 3ag4 h VAL 83 N 0.02 1.11 -0.80 4.08 2.07 -1.21 0.15 116.25 121.67 3ag4 h VAL 83 Ca -0.46 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3ag4 h VAL 83 Cb 2.04 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 3ag4 h VAL 83 CO 0.03 0.10 0.47 -0.65 0.02 0.00 0.00 177.57 177.53 3ag4 h PRO 84 N 0.13 1.09 -0.57 1.57 0.11 -1.78 -2.29 132.00 130.25 3ag4 h PRO 84 Ca 0.05 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3ag4 h PRO 84 Cb 0.09 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3ag4 h PRO 84 CO -0.01 0.78 0.37 -0.07 -0.21 0.00 0.00 178.00 178.86 3ag4 h LEU 85 N 1.10 0.66 -0.65 2.35 3.38 -1.68 0.17 115.31 120.64 3ag4 h LEU 85 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ag4 h LEU 85 Cb -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ag4 h LEU 85 CO -0.05 0.49 0.00 0.23 0.09 0.00 0.00 178.44 179.20 3ag4 n MET 86 N -4.68 0.17 -0.07 1.13 2.81 0.02 -1.78 117.12 114.73 3ag4 n MET 86 Ca 0.04 0.41 0.03 0.00 -1.81 0.00 0.00 57.70 56.37 3ag4 n MET 86 Cb 0.03 -1.83 0.06 0.00 -0.71 0.00 0.00 33.22 30.77 3ag4 n MET 86 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3ag4 n ILE 87 N -2.16 0.82 -2.29 2.02 -5.35 -0.90 -4.78 119.36 106.73 3ag4 n ILE 87 Ca 0.02 -0.91 -0.10 0.00 -0.27 0.00 0.00 62.75 61.49 3ag4 n ILE 87 Cb 0.22 0.61 -0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3ag4 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag4 n GLY 88 N 0.03 -0.02 3.92 3.28 0.00 -0.33 -4.05 105.19 108.02 3ag4 n GLY 88 Ca 0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3ag4 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 s ALA 89 N -2.58 3.89 -0.38 4.61 0.00 0.46 -4.61 121.76 123.15 3ag4 s ALA 89 Ca 0.03 -0.78 0.26 0.00 0.00 0.00 0.00 51.96 51.46 3ag4 s ALA 89 Cb -0.01 -1.96 0.63 0.00 0.00 0.00 0.00 23.12 21.78 3ag4 s ALA 89 CO 0.04 0.63 1.71 -1.00 0.00 0.00 0.00 175.76 177.14 3ag4 h PRO 90 N 2.56 0.00 0.00 0.00 0.13 -1.79 -3.40 132.00 129.51 3ag4 h PRO 90 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ag4 h PRO 90 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ag4 h PRO 90 CO 0.72 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.02 3ag4 n ASP 91 N -2.94 0.00 -4.82 1.44 -0.08 -1.26 -4.64 116.55 104.25 3ag4 n ASP 91 Ca 0.03 -0.70 -0.31 0.00 -1.51 0.00 0.00 54.79 52.30 3ag4 n ASP 91 Cb 0.46 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.98 3ag4 n ASP 91 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3ag4 s MET 92 N -1.11 2.80 0.28 -0.67 -1.94 -1.26 -4.88 119.30 112.51 3ag4 s MET 92 Ca 0.00 0.89 -0.03 0.00 -1.71 0.00 0.00 55.69 54.84 3ag4 s MET 92 Cb 0.00 -1.98 0.37 0.00 2.01 0.00 0.00 34.83 35.24 3ag4 s MET 92 CO 0.00 -1.18 1.87 0.00 -0.01 0.00 0.00 175.02 175.70 3ag4 h ALA 93 N -0.78 1.26 -2.63 3.03 0.00 -1.92 -3.32 119.26 114.90 3ag4 h ALA 93 Ca -0.44 -0.15 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 3ag4 h ALA 93 Cb 1.22 -0.28 -0.42 0.00 0.00 0.00 0.00 17.79 18.31 3ag4 h ALA 93 CO 0.57 0.57 -0.62 1.19 0.00 0.00 0.00 179.25 180.96 3ag4 n PHE 94 N -4.33 3.05 0.28 0.00 3.72 -1.26 -4.97 117.46 113.95 3ag4 n PHE 94 Ca 0.07 -4.17 0.16 0.00 -0.05 0.00 0.00 57.45 53.46 3ag4 n PHE 94 Cb 0.14 -0.54 0.73 0.00 -0.94 0.00 0.00 39.48 38.87 3ag4 n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ag4 h PRO 95 N 4.83 0.00 0.04 -1.08 0.11 -1.87 -0.53 132.00 133.50 3ag4 h PRO 95 Ca 0.17 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.10 3ag4 h PRO 95 Cb 0.73 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3ag4 h PRO 95 CO 0.74 0.05 -0.99 -0.09 -0.21 0.00 0.00 178.00 177.50 3ag4 h ARG 96 N 0.00 0.08 -0.90 1.05 2.43 -1.85 -3.29 114.38 111.89 3ag4 h ARG 96 Ca -0.00 -0.14 0.12 0.00 -0.81 0.00 0.00 59.98 59.15 3ag4 h ARG 96 Cb 0.46 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.99 3ag4 h ARG 96 CO 0.01 1.06 0.58 1.98 -1.51 0.00 0.00 179.97 182.09 3ag4 h MET 97 N -0.77 0.80 -0.96 0.20 4.05 -1.89 0.37 114.93 116.73 3ag4 h MET 97 Ca -0.25 -0.05 0.20 0.00 -0.28 0.00 0.00 59.70 59.32 3ag4 h MET 97 Cb 1.38 -0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 31.91 3ag4 h MET 97 CO -0.07 0.53 0.61 -0.97 0.23 0.00 0.00 176.91 177.24 3ag4 h ASN 98 N 0.83 0.58 0.87 1.39 -1.24 -1.22 -1.23 115.58 115.56 3ag4 h ASN 98 Ca 0.44 0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.40 3ag4 h ASN 98 Cb 0.53 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 3ag4 h ASN 98 CO -0.20 0.22 -0.55 -1.13 -1.29 0.00 0.00 177.43 174.48 3ag4 h ASN 99 N 0.57 0.00 0.25 1.15 -1.24 -0.99 -2.59 115.58 112.73 3ag4 h ASN 99 Ca 0.52 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.31 3ag4 h ASN 99 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 3ag4 h ASN 99 CO -0.26 0.55 -0.89 -0.03 -1.29 0.00 0.00 177.43 175.50 3ag4 h MET 100 N 0.00 0.47 -0.80 6.67 4.05 -1.10 -1.62 114.93 122.60 3ag4 h MET 100 Ca -0.01 -0.47 0.15 0.00 -0.28 0.00 0.00 59.70 59.10 3ag4 h MET 100 Cb 1.13 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 31.95 3ag4 h MET 100 CO 0.07 1.11 0.35 0.77 0.23 0.00 0.00 176.91 179.44 3ag4 h SER 101 N 0.28 0.35 0.18 1.39 0.02 -1.11 0.13 113.55 114.80 3ag4 h SER 101 Ca -0.07 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ag4 h SER 101 Cb 1.52 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3ag4 h SER 101 CO 0.16 0.12 -0.09 0.15 -1.14 0.00 0.00 176.83 176.03 3ag4 h PHE 102 N 0.49 -0.23 0.00 3.45 3.57 -1.22 -3.30 116.94 119.71 3ag4 h PHE 102 Ca 0.45 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 3ag4 h PHE 102 Cb 0.70 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 3ag4 h PHE 102 CO -0.14 0.05 -0.00 -1.49 -2.23 0.00 0.00 178.31 174.49 3ag4 h TRP 103 N -0.50 0.00 0.00 0.41 4.06 -0.59 -0.39 115.95 118.95 3ag4 h TRP 103 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3ag4 h TRP 103 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3ag4 h TRP 103 CO 0.01 0.00 0.00 -0.07 -3.56 0.00 0.00 178.44 174.82 3ag4 h LEU 104 N 0.00 0.00 0.19 -4.49 3.38 -0.84 -3.32 115.31 110.24 3ag4 h LEU 104 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3ag4 h LEU 104 Cb 0.60 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.38 3ag4 h LEU 104 CO 0.00 0.00 -1.15 -0.07 0.09 0.00 0.00 178.44 177.31 3ag4 h LEU 105 N 0.00 0.64 -0.47 1.67 3.38 -1.19 -2.36 115.31 116.99 3ag4 h LEU 105 Ca 0.00 -0.94 0.03 0.00 0.09 0.00 0.00 57.88 57.07 3ag4 h LEU 105 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3ag4 h LEU 105 CO 0.00 1.55 0.25 -0.65 0.09 0.00 0.00 178.44 179.68 3ag4 h PRO 106 N -0.13 0.48 -0.79 1.13 0.11 -1.72 0.38 132.00 131.46 3ag4 h PRO 106 Ca -0.20 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.95 3ag4 h PRO 106 Cb 1.90 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.83 3ag4 h PRO 106 CO 0.21 0.32 0.46 -1.35 -0.21 0.00 0.00 178.00 177.42 3ag4 h PRO 107 N 0.50 0.79 -0.78 1.05 0.11 -1.71 -0.91 132.00 131.04 3ag4 h PRO 107 Ca 0.20 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 3ag4 h PRO 107 Cb 0.08 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.98 3ag4 h PRO 107 CO -0.13 0.52 0.36 1.03 -0.21 0.00 0.00 178.00 179.57 3ag4 h SER 108 N 0.81 1.04 -0.30 -2.05 0.87 -0.90 -1.25 113.55 111.76 3ag4 h SER 108 Ca 0.36 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3ag4 h SER 108 Cb 0.26 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3ag4 h SER 108 CO -0.21 0.89 -0.24 0.15 -0.53 0.00 0.00 176.83 176.89 3ag4 h PHE 109 N 1.11 0.90 -0.44 2.24 -0.00 -0.65 -2.27 116.94 117.84 3ag4 h PHE 109 Ca 0.27 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.97 58.02 3ag4 h PHE 109 Cb 0.15 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 35.86 3ag4 h PHE 109 CO 0.01 0.95 0.25 1.25 -0.00 0.00 0.00 178.31 180.78 3ag4 h LEU 110 N 0.69 0.54 -0.88 0.59 5.85 -0.92 0.28 115.31 121.45 3ag4 h LEU 110 Ca 0.09 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3ag4 h LEU 110 Cb 0.76 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3ag4 h LEU 110 CO 0.06 0.46 0.57 -0.07 -0.34 0.00 0.00 178.44 179.12 3ag4 h LEU 111 N 0.58 0.96 -0.28 2.25 3.38 -0.91 0.99 115.31 122.27 3ag4 h LEU 111 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ag4 h LEU 111 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ag4 h LEU 111 CO -0.03 0.66 0.14 0.25 0.09 0.00 0.00 178.44 179.55 3ag4 h LEU 112 N 1.12 0.37 -1.16 1.67 5.85 -0.91 -1.16 115.31 121.08 3ag4 h LEU 112 Ca 0.35 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3ag4 h LEU 112 Cb -0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3ag4 h LEU 112 CO -0.11 0.38 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.21 3ag4 h LEU 113 N 0.33 0.46 -0.73 2.25 3.38 0.07 -2.53 115.31 118.53 3ag4 h LEU 113 Ca 0.10 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ag4 h LEU 113 Cb 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3ag4 h LEU 113 CO -0.01 0.59 0.48 0.00 0.09 0.00 0.00 178.44 179.58 3ag4 h ALA 114 N 1.46 0.93 -0.29 1.53 0.00 -0.54 -2.27 119.26 120.08 3ag4 h ALA 114 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ag4 h ALA 114 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ag4 h ALA 114 CO 0.02 0.32 0.01 0.66 0.00 0.00 0.00 179.25 180.26 3ag4 h SER 115 N 0.96 0.40 1.36 0.00 4.64 -0.79 -1.26 113.55 118.87 3ag4 h SER 115 Ca 0.27 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ag4 h SER 115 Cb -0.08 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3ag4 h SER 115 CO -0.07 0.46 0.00 0.77 -0.87 0.00 0.00 176.83 177.12 3ag4 h SER 116 N 0.42 0.00 0.19 4.97 4.64 -1.25 -3.31 113.55 119.21 3ag4 h SER 116 Ca 0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.07 3ag4 h SER 116 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 3ag4 h SER 116 CO 0.01 0.00 -2.10 0.23 -0.87 0.00 0.00 176.83 174.09 3ag4 n MET 117 N -2.73 0.68 -2.79 4.77 2.81 -0.77 -4.35 117.12 114.74 3ag4 n MET 117 Ca 0.03 0.17 -0.31 0.00 -1.81 0.00 0.00 57.70 55.79 3ag4 n MET 117 Cb 0.39 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 3ag4 n MET 117 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3ag4 s VAL 118 N -2.54 4.74 0.00 2.03 -7.23 -0.55 -4.92 120.40 111.93 3ag4 s VAL 118 Ca -0.15 0.73 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 3ag4 s VAL 118 Cb 0.07 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.29 3ag4 s VAL 118 CO 0.78 -0.54 0.00 -0.62 -0.31 0.00 0.00 175.10 174.41 3ag4 n GLU 119 N -1.31 0.00 -0.54 4.82 -0.58 -1.26 -1.93 120.64 119.83 3ag4 n GLU 119 Ca 0.03 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.83 3ag4 n GLU 119 Cb 0.54 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.66 3ag4 n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ag4 n ALA 120 N 8.25 3.32 -0.03 0.62 0.00 -1.26 -5.10 120.51 126.31 3ag4 n ALA 120 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 50.99 3ag4 n ALA 120 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ag4 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag4 n GLY 121 N -0.59 -2.04 3.35 0.00 0.00 -0.81 -4.68 105.19 100.41 3ag4 n GLY 121 Ca 0.25 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.33 3ag4 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 s ALA 122 N -2.15 3.57 -1.08 4.61 0.00 -1.26 -4.78 121.76 120.67 3ag4 s ALA 122 Ca 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 51.96 49.59 3ag4 s ALA 122 Cb 0.00 -3.28 0.28 0.00 0.00 0.00 0.00 23.12 20.12 3ag4 s ALA 122 CO 0.00 -2.02 1.93 0.41 0.00 0.00 0.00 175.76 176.08 3ag4 n GLY 123 N 5.24 5.98 0.00 0.00 0.00 -1.26 -4.38 105.19 110.77 3ag4 n GLY 123 Ca -0.12 -2.48 0.07 0.00 0.00 0.00 0.00 46.02 43.48 3ag4 n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag4 n THR 124 N 0.27 0.00 0.00 2.61 -2.24 -1.26 -4.77 114.28 108.89 3ag4 n THR 124 Ca 0.50 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3ag4 n THR 124 Cb 0.26 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3ag4 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag4 n GLY 125 N 1.45 -2.19 0.00 3.38 0.00 -1.26 -4.01 105.19 102.57 3ag4 n GLY 125 Ca 0.01 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.72 3ag4 n GLY 125 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ag4 n TRP 126 N -1.11 0.00 0.40 1.61 4.27 -1.26 -1.61 117.44 119.75 3ag4 n TRP 126 Ca 0.00 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 3ag4 n TRP 126 Cb 0.00 -0.38 0.13 0.00 -1.36 0.00 0.00 31.31 29.70 3ag4 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3ag4 h THR 127 N 0.00 0.00 -6.70 -1.67 1.35 -1.98 -3.48 112.91 100.43 3ag4 h THR 127 Ca 0.00 -0.69 -0.54 0.00 -0.55 0.00 0.00 66.41 64.63 3ag4 h THR 127 Cb 0.15 1.30 -0.12 0.00 -1.73 0.00 0.00 68.15 67.74 3ag4 h THR 127 CO 0.00 0.00 -0.90 0.52 -0.25 0.00 0.00 175.52 174.89 3ag4 n VAL 128 N -2.38 -2.18 -2.28 6.82 0.31 -0.63 -4.91 118.33 113.08 3ag4 n VAL 128 Ca 0.02 -0.41 -0.41 0.00 -0.01 0.00 0.00 64.34 63.53 3ag4 n VAL 128 Cb 0.48 -2.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 3ag4 n VAL 128 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag4 s TYR 129 N -3.95 3.33 0.60 3.52 4.12 -1.26 -4.71 117.35 119.00 3ag4 s TYR 129 Ca 0.13 1.29 -0.09 0.00 0.02 0.00 0.00 57.07 58.43 3ag4 s TYR 129 Cb -0.07 -3.53 -0.02 0.00 -1.52 0.00 0.00 41.96 36.81 3ag4 s TYR 129 CO 0.93 -1.62 0.96 -1.25 0.02 0.00 0.00 175.55 174.59 3ag4 s PRO 130 N -0.05 3.32 0.00 -1.71 0.04 -1.26 -1.62 135.00 133.72 3ag4 s PRO 130 Ca 0.56 0.43 0.24 0.00 0.04 0.00 0.00 61.00 62.26 3ag4 s PRO 130 Cb -0.35 -2.17 1.02 0.00 0.04 0.00 0.00 34.50 33.04 3ag4 s PRO 130 CO 0.37 -0.60 1.77 -2.30 0.04 0.00 0.00 177.00 176.27 3ag4 n PRO 131 N -2.66 0.00 -0.36 0.56 -0.02 -1.26 -4.83 135.00 126.44 3ag4 n PRO 131 Ca 0.05 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.67 3ag4 n PRO 131 Cb 0.56 -1.51 0.21 0.00 -0.02 0.00 0.00 33.50 32.74 3ag4 n PRO 131 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag4 h LEU 132 N 0.00 0.97 -0.12 2.45 5.85 -1.93 0.46 115.31 123.00 3ag4 h LEU 132 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ag4 h LEU 132 Cb 0.42 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ag4 h LEU 132 CO 0.00 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.68 3ag4 n ALA 133 N -2.36 2.67 -1.66 1.25 0.00 -0.64 -3.35 120.51 116.41 3ag4 n ALA 133 Ca 0.17 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3ag4 n ALA 133 Cb 0.26 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.47 3ag4 n ALA 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ag4 s GLY 134 N -1.96 1.74 0.00 0.00 0.00 0.15 -4.70 107.32 102.56 3ag4 s GLY 134 Ca 0.45 -1.21 0.16 0.00 0.00 0.00 0.00 44.72 44.12 3ag4 s GLY 134 CO 0.35 -0.36 1.60 1.16 0.00 0.00 0.00 173.10 175.85 3ag4 n ASN 135 N -4.16 0.10 -0.13 1.64 0.23 -1.26 -0.23 115.26 111.46 3ag4 n ASN 135 Ca 0.16 -1.52 -0.27 0.00 -0.53 0.00 0.00 54.58 52.41 3ag4 n ASN 135 Cb 0.59 -0.01 -0.10 0.00 -2.08 0.00 0.00 39.78 38.19 3ag4 n ASN 135 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3ag4 n LEU 136 N -0.68 1.98 0.15 -4.53 7.94 -1.26 -3.61 117.00 116.99 3ag4 n LEU 136 Ca 0.12 0.27 0.12 0.00 -1.11 0.00 0.00 56.01 55.41 3ag4 n LEU 136 Cb 0.07 -0.79 0.09 0.00 0.53 0.00 0.00 43.42 43.33 3ag4 n LEU 136 CO 0.09 0.59 0.40 0.00 -1.11 0.00 0.00 177.39 177.36 3ag4 h ALA 137 N -0.85 0.73 -2.02 1.96 0.00 -1.75 -3.35 119.26 113.98 3ag4 h ALA 137 Ca -0.66 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.73 3ag4 h ALA 137 Cb 1.62 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.01 3ag4 h ALA 137 CO -0.37 0.00 -1.11 0.72 0.00 0.00 0.00 179.25 178.48 3ag4 n HIS 138 N -2.82 0.30 -2.03 0.00 8.25 0.69 -4.92 115.22 114.69 3ag4 n HIS 138 Ca 0.02 -3.74 -0.40 0.00 -0.26 0.00 0.00 57.72 53.34 3ag4 n HIS 138 Cb 0.53 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 3ag4 n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ag4 s ALA 139 N -2.01 3.37 0.00 -1.41 0.00 -1.24 -4.53 121.76 115.94 3ag4 s ALA 139 Ca 0.39 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3ag4 s ALA 139 Cb 0.27 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3ag4 s ALA 139 CO -0.09 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3ag4 n GLY 140 N 0.67 -1.50 0.10 0.00 0.00 -1.26 -4.79 105.19 98.42 3ag4 n GLY 140 Ca 0.02 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.03 3ag4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 h ALA 141 N 0.00 0.83 -0.20 4.61 0.00 -1.94 -3.39 119.26 119.17 3ag4 h ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag4 h ALA 141 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ag4 h ALA 141 CO 0.00 0.00 0.13 0.77 0.00 0.00 0.00 179.25 180.15 3ag4 h SER 142 N 0.00 0.23 0.28 0.00 0.02 -1.85 -0.22 113.55 112.00 3ag4 h SER 142 Ca 0.00 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 3ag4 h SER 142 Cb 0.78 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3ag4 h SER 142 CO 0.00 0.17 -0.63 0.58 -1.14 0.00 0.00 176.83 175.81 3ag4 h VAL 143 N 0.27 1.37 -0.70 2.27 2.07 -1.85 -1.64 116.25 118.04 3ag4 h VAL 143 Ca 0.07 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.55 3ag4 h VAL 143 Cb -0.03 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3ag4 h VAL 143 CO -0.02 0.60 0.23 0.44 0.02 0.00 0.00 177.57 178.84 3ag4 h ASP 144 N 0.25 0.99 -0.52 0.57 3.45 -1.54 -0.48 116.42 119.14 3ag4 h ASP 144 Ca -0.01 -0.17 0.01 0.00 0.43 0.00 0.00 57.03 57.29 3ag4 h ASP 144 Cb 1.16 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.64 3ag4 h ASP 144 CO 0.10 0.91 0.34 -0.07 -1.57 0.00 0.00 179.24 178.95 3ag4 h LEU 145 N 1.03 0.58 -0.44 1.55 3.38 -0.83 -0.43 115.31 120.15 3ag4 h LEU 145 Ca 0.23 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3ag4 h LEU 145 Cb 0.27 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ag4 h LEU 145 CO -0.01 0.42 0.20 0.74 0.09 0.00 0.00 178.44 179.87 3ag4 h THR 146 N 0.69 0.93 -0.13 0.22 2.02 -1.03 -1.09 112.91 114.52 3ag4 h THR 146 Ca 0.20 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3ag4 h THR 146 Cb -0.06 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3ag4 h THR 146 CO -0.05 0.07 0.08 0.40 0.37 0.00 0.00 175.52 176.39 3ag4 h ILE 147 N 0.40 1.07 -0.46 3.11 2.04 -0.87 -1.94 117.51 120.86 3ag4 h ILE 147 Ca 0.20 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3ag4 h ILE 147 Cb 0.13 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3ag4 h ILE 147 CO -0.16 0.07 0.31 -0.26 0.00 0.00 0.00 178.15 178.10 3ag4 h PHE 148 N 0.14 0.50 0.03 1.37 0.04 -0.97 -1.07 116.94 116.98 3ag4 h PHE 148 Ca 0.05 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3ag4 h PHE 148 Cb 0.04 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 3ag4 h PHE 148 CO -0.05 0.30 -0.03 1.03 -0.60 0.00 0.00 178.31 178.96 3ag4 h SER 149 N 0.52 -0.07 -0.94 2.17 0.87 -0.76 -2.10 113.55 113.23 3ag4 h SER 149 Ca 0.19 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.83 3ag4 h SER 149 Cb 0.10 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 3ag4 h SER 149 CO -0.05 -0.04 0.60 -0.07 -0.53 0.00 0.00 176.83 176.74 3ag4 h LEU 150 N -0.06 0.94 -0.45 2.23 3.38 -0.92 -1.41 115.31 119.01 3ag4 h LEU 150 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3ag4 h LEU 150 Cb 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3ag4 h LEU 150 CO -0.01 0.58 0.19 0.45 0.09 0.00 0.00 178.44 179.74 3ag4 h HIS 151 N 1.06 0.34 -0.27 1.13 3.86 -0.92 0.34 115.15 120.70 3ag4 h HIS 151 Ca 0.42 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.50 3ag4 h HIS 151 Cb 0.22 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 3ag4 h HIS 151 CO -0.02 0.14 -0.41 -0.07 0.86 0.00 0.00 177.93 178.44 3ag4 h LEU 152 N 0.38 0.83 -0.92 2.43 3.38 -1.03 -0.19 115.31 120.18 3ag4 h LEU 152 Ca 0.20 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3ag4 h LEU 152 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ag4 h LEU 152 CO -0.18 1.18 -0.15 0.00 0.09 0.00 0.00 178.44 179.38 3ag4 h ALA 153 N 0.67 1.09 0.10 1.53 0.00 -1.11 -0.86 119.26 120.68 3ag4 h ALA 153 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ag4 h ALA 153 Cb 1.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ag4 h ALA 153 CO 0.09 0.56 -0.05 0.78 0.00 0.00 0.00 179.25 180.64 3ag4 h GLY 154 N 0.97 -0.14 0.81 0.00 0.00 0.07 -2.14 103.07 102.64 3ag4 h GLY 154 Ca 0.10 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.50 3ag4 h GLY 154 CO 0.04 -0.05 0.14 -2.08 0.00 0.00 0.00 176.54 174.59 3ag4 h VAL 155 N -0.21 0.96 -0.46 4.60 2.07 -0.81 0.04 116.25 122.43 3ag4 h VAL 155 Ca -0.01 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3ag4 h VAL 155 Cb 0.17 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3ag4 h VAL 155 CO 0.02 0.05 0.17 -1.28 0.02 0.00 0.00 177.57 176.56 3ag4 h SER 156 N 0.30 0.18 0.69 0.57 0.87 -1.09 -1.31 113.55 113.75 3ag4 h SER 156 Ca 0.14 0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.54 3ag4 h SER 156 Cb 0.07 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3ag4 h SER 156 CO -0.11 0.13 -0.94 0.28 -0.53 0.00 0.00 176.83 175.66 3ag4 h SER 157 N 0.34 0.21 -0.39 6.23 0.02 -1.13 -1.25 113.55 117.58 3ag4 h SER 157 Ca 0.22 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3ag4 h SER 157 Cb 0.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3ag4 h SER 157 CO -0.22 1.03 -0.24 0.40 -1.14 0.00 0.00 176.83 176.66 3ag4 h ILE 158 N 0.07 1.27 -0.01 3.27 2.04 -0.61 0.26 117.51 123.80 3ag4 h ILE 158 Ca -0.05 -1.39 -0.19 0.00 1.00 0.00 0.00 64.86 64.23 3ag4 h ILE 158 Cb 1.60 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3ag4 h ILE 158 CO 0.14 0.47 -0.83 -0.07 0.00 0.00 0.00 178.15 177.86 3ag4 h LEU 159 N 0.78 0.31 -0.53 1.44 3.38 -1.22 -2.00 115.31 117.46 3ag4 h LEU 159 Ca 0.10 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ag4 h LEU 159 Cb 0.80 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 3ag4 h LEU 159 CO 0.07 1.01 0.23 1.23 0.09 0.00 0.00 178.44 181.06 3ag4 h GLY 160 N 1.67 0.74 0.98 0.83 0.00 -1.10 -1.82 103.07 104.38 3ag4 h GLY 160 Ca -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3ag4 h GLY 160 CO 0.13 0.05 0.12 0.00 0.00 0.00 0.00 176.54 176.84 3ag4 h ALA 161 N 1.33 0.67 -0.83 3.60 0.00 -0.71 -0.12 119.26 123.20 3ag4 h ALA 161 Ca 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ag4 h ALA 161 Cb 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3ag4 h ALA 161 CO -0.22 0.37 0.54 0.82 0.00 0.00 0.00 179.25 180.76 3ag4 h ILE 162 N 0.71 1.14 -0.09 0.00 2.04 -1.15 -0.57 117.51 119.59 3ag4 h ILE 162 Ca 0.16 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 3ag4 h ILE 162 Cb 0.34 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3ag4 h ILE 162 CO 0.00 0.19 -0.10 -1.13 0.00 0.00 0.00 178.15 177.11 3ag4 h ASN 163 N 1.03 0.24 -0.17 1.72 -0.73 -0.75 -2.20 115.58 114.72 3ag4 h ASN 163 Ca 0.33 -0.50 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 3ag4 h ASN 163 Cb 0.02 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 3ag4 h ASN 163 CO -0.09 0.69 0.02 -0.26 -0.37 0.00 0.00 177.43 177.41 3ag4 h PHE 164 N -0.20 0.31 -0.09 0.67 -1.00 -0.87 0.11 116.94 115.87 3ag4 h PHE 164 Ca 0.01 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.79 3ag4 h PHE 164 Cb 0.63 -0.08 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 3ag4 h PHE 164 CO 0.09 0.47 -0.27 0.82 -1.61 0.00 0.00 178.31 177.82 3ag4 h ILE 165 N 0.06 0.38 -0.24 -0.55 2.04 -1.15 -0.27 117.51 117.77 3ag4 h ILE 165 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3ag4 h ILE 165 Cb 0.34 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3ag4 h ILE 165 CO 0.01 0.00 0.15 0.74 0.00 0.00 0.00 178.15 179.05 3ag4 h THR 166 N -0.35 1.08 -0.10 -0.27 2.02 -1.33 0.91 112.91 114.87 3ag4 h THR 166 Ca 0.09 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3ag4 h THR 166 Cb 0.49 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3ag4 h THR 166 CO -0.30 0.07 -0.08 0.74 0.37 0.00 0.00 175.52 176.33 3ag4 h THR 167 N 0.31 0.76 -0.38 3.16 2.02 -0.57 0.16 112.91 118.38 3ag4 h THR 167 Ca 0.09 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.16 3ag4 h THR 167 Cb -0.01 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3ag4 h THR 167 CO -0.02 0.00 -0.21 0.40 0.37 0.00 0.00 175.52 176.07 3ag4 h ILE 168 N -0.10 1.27 -0.02 3.11 2.04 -0.80 0.84 117.51 123.85 3ag4 h ILE 168 Ca 0.07 -1.30 -0.23 0.00 1.00 0.00 0.00 64.86 64.40 3ag4 h ILE 168 Cb 0.19 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3ag4 h ILE 168 CO -0.16 0.43 -0.92 0.40 0.00 0.00 0.00 178.15 177.90 3ag4 h ILE 169 N 0.65 1.36 0.00 -0.67 1.08 -0.66 -3.39 117.51 115.88 3ag4 h ILE 169 Ca 0.09 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.24 3ag4 h ILE 169 Cb 0.70 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.78 3ag4 h ILE 169 CO 0.05 0.70 -1.19 -3.20 -0.69 0.00 0.00 178.15 173.83 3ag4 n ASN 170 N -3.80 0.88 -0.49 1.72 5.15 0.55 -4.67 115.26 114.61 3ag4 n ASN 170 Ca -0.07 -0.55 0.07 0.00 -0.60 0.00 0.00 54.58 53.43 3ag4 n ASN 170 Cb 0.82 1.31 0.18 0.00 -0.53 0.00 0.00 39.78 41.56 3ag4 n ASN 170 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3ag4 n MET 171 N -1.67 1.40 -2.25 1.20 2.81 0.28 -5.03 117.12 113.86 3ag4 n MET 171 Ca 0.01 -3.01 -0.27 0.00 -1.81 0.00 0.00 57.70 52.62 3ag4 n MET 171 Cb 0.34 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 3ag4 n MET 171 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ag4 s LYS 172 N -2.93 2.68 0.48 0.03 1.02 -1.26 -4.53 119.74 115.22 3ag4 s LYS 172 Ca 0.35 -0.00 -0.23 0.00 0.02 0.00 0.00 55.97 56.11 3ag4 s LYS 172 Cb 0.34 -2.20 -0.08 0.00 -0.52 0.00 0.00 37.83 35.38 3ag4 s LYS 172 CO -0.05 -0.93 1.26 -2.30 -0.92 0.00 0.00 175.35 172.42 3ag4 n PRO 173 N -2.76 1.73 -0.18 -1.68 -0.02 -1.26 -4.85 135.00 125.98 3ag4 n PRO 173 Ca 0.06 0.63 0.23 0.00 -2.02 0.00 0.00 63.50 62.40 3ag4 n PRO 173 Cb 0.58 -2.42 0.63 0.00 -0.02 0.00 0.00 33.50 32.27 3ag4 n PRO 173 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ag4 h PRO 174 N 1.69 0.17 0.00 0.52 0.11 -1.95 -1.23 132.00 131.30 3ag4 h PRO 174 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ag4 h PRO 174 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ag4 h PRO 174 CO 0.58 0.11 -0.30 0.00 -0.21 0.00 0.00 178.00 178.18 3ag4 h ALA 175 N 1.60 0.81 -2.16 -0.75 0.00 -1.89 -3.44 119.26 113.43 3ag4 h ALA 175 Ca 0.42 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.71 3ag4 h ALA 175 Cb 1.38 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 3ag4 h ALA 175 CO -0.08 0.00 0.36 1.41 0.00 0.00 0.00 179.25 180.94 3ag4 s MET 176 N -3.15 3.70 1.01 0.00 0.00 -0.47 -4.98 119.30 115.42 3ag4 s MET 176 Ca 0.08 0.24 -0.16 0.00 0.00 0.00 0.00 55.69 55.85 3ag4 s MET 176 Cb 0.12 -3.83 0.20 0.00 0.00 0.00 0.00 34.83 31.32 3ag4 s MET 176 CO 0.66 -0.88 1.19 -1.54 0.00 0.00 0.00 175.02 174.45 3ag4 s SER 177 N 1.88 2.62 0.50 1.11 1.04 -1.26 -4.75 113.70 114.84 3ag4 s SER 177 Ca 0.31 0.64 0.18 0.00 0.48 0.00 0.00 55.95 57.56 3ag4 s SER 177 Cb -0.13 -0.95 1.24 0.00 0.10 0.00 0.00 66.02 66.28 3ag4 s SER 177 CO 0.18 -3.07 2.08 -0.61 0.98 0.00 0.00 173.24 172.80 3ag4 h GLN 178 N -1.86 0.00 -0.70 4.02 5.75 -1.96 0.17 115.11 120.53 3ag4 h GLN 178 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3ag4 h GLN 178 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 3ag4 h GLN 178 CO 0.46 0.10 0.00 0.66 -2.65 0.00 0.00 178.83 177.40 3ag4 n TYR 179 N -4.25 0.58 -1.28 3.99 4.01 -1.26 -3.04 117.16 115.90 3ag4 n TYR 179 Ca -0.03 -0.21 0.08 0.00 -0.16 0.00 0.00 57.90 57.58 3ag4 n TYR 179 Cb 0.18 -0.17 0.11 0.00 -0.31 0.00 0.00 39.34 39.14 3ag4 n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ag4 n GLN 180 N 0.20 0.98 -4.03 -0.72 3.00 0.61 -5.05 117.38 112.37 3ag4 n GLN 180 Ca 0.09 -2.20 -0.31 0.00 -0.01 0.00 0.00 57.00 54.57 3ag4 n GLN 180 Cb 0.46 -1.26 -0.06 0.00 0.00 0.00 0.00 30.24 29.38 3ag4 n GLN 180 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3ag4 s THR 181 N -2.19 4.68 0.89 5.09 -4.23 -1.17 -4.91 115.64 113.80 3ag4 s THR 181 Ca 0.24 -0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 59.97 3ag4 s THR 181 Cb 0.21 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.93 3ag4 s THR 181 CO 0.02 0.15 1.12 -2.84 -0.54 0.00 0.00 174.62 172.53 3ag4 s PRO 182 N -2.36 1.26 0.44 3.99 0.02 -1.26 -4.83 135.00 132.26 3ag4 s PRO 182 Ca 0.30 1.38 0.12 0.00 0.02 0.00 0.00 61.00 62.81 3ag4 s PRO 182 Cb -0.12 -1.77 0.96 0.00 0.02 0.00 0.00 34.50 33.59 3ag4 s PRO 182 CO 0.22 -2.41 2.01 -0.07 -0.33 0.00 0.00 177.00 176.43 3ag4 h LEU 183 N -1.70 0.16 -0.76 -5.54 3.38 -1.98 -1.94 115.31 106.93 3ag4 h LEU 183 Ca -0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3ag4 h LEU 183 Cb 1.26 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3ag4 h LEU 183 CO 0.45 0.24 0.44 0.15 0.09 0.00 0.00 178.44 179.81 3ag4 h PHE 184 N 0.17 1.02 -0.50 1.13 3.57 -1.92 0.58 116.94 121.00 3ag4 h PHE 184 Ca 0.04 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3ag4 h PHE 184 Cb 0.20 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3ag4 h PHE 184 CO 0.00 0.70 0.01 0.28 -2.23 0.00 0.00 178.31 177.07 3ag4 h VAL 185 N 1.05 1.26 -0.76 1.41 2.07 -1.72 -1.20 116.25 118.35 3ag4 h VAL 185 Ca 0.27 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.84 3ag4 h VAL 185 Cb -0.01 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3ag4 h VAL 185 CO -0.05 0.37 0.38 -0.50 0.02 0.00 0.00 177.57 177.80 3ag4 h TRP 186 N 0.74 0.68 -0.24 1.57 4.06 -1.13 -0.25 115.95 121.38 3ag4 h TRP 186 Ca 0.14 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 61.03 3ag4 h TRP 186 Cb 0.50 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3ag4 h TRP 186 CO 0.04 0.22 -0.24 0.66 -3.56 0.00 0.00 178.44 175.56 3ag4 h SER 187 N 0.62 0.45 -0.07 -3.49 4.64 -0.02 -1.55 113.55 114.13 3ag4 h SER 187 Ca 0.39 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.40 3ag4 h SER 187 Cb 0.45 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3ag4 h SER 187 CO -0.30 0.69 -0.60 0.58 -0.87 0.00 0.00 176.83 176.34 3ag4 h VAL 188 N 0.41 1.37 -0.49 0.95 2.07 -0.90 -1.83 116.25 117.82 3ag4 h VAL 188 Ca 0.06 -1.94 0.02 0.00 0.82 0.00 0.00 66.70 65.67 3ag4 h VAL 188 Cb 0.64 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3ag4 h VAL 188 CO 0.05 0.58 0.29 -0.03 0.02 0.00 0.00 177.57 178.48 3ag4 h MET 189 N 0.12 0.56 -0.29 1.57 -1.53 -0.68 0.33 114.93 115.01 3ag4 h MET 189 Ca -0.05 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.14 3ag4 h MET 189 Cb 1.26 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.17 3ag4 h MET 189 CO 0.12 0.37 0.05 0.82 0.14 0.00 0.00 176.91 178.41 3ag4 h ILE 190 N 0.58 1.23 -0.58 1.77 2.04 -1.33 -1.33 117.51 119.90 3ag4 h ILE 190 Ca 0.20 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.37 3ag4 h ILE 190 Cb 0.02 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 3ag4 h ILE 190 CO -0.09 0.26 0.14 0.74 0.00 0.00 0.00 178.15 179.20 3ag4 h THR 191 N 0.30 0.68 -0.65 -0.27 2.02 -1.20 -1.30 112.91 112.48 3ag4 h THR 191 Ca 0.09 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3ag4 h THR 191 Cb 0.34 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3ag4 h THR 191 CO 0.01 0.05 0.19 0.00 0.37 0.00 0.00 175.52 176.13 3ag4 h ALA 192 N 1.45 0.85 -0.99 6.16 0.00 -0.76 -0.60 119.26 125.38 3ag4 h ALA 192 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ag4 h ALA 192 Cb 0.42 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3ag4 h ALA 192 CO -0.37 0.54 0.65 0.28 0.00 0.00 0.00 179.25 180.36 3ag4 h VAL 193 N 0.95 1.23 -0.45 0.00 2.07 -0.59 -1.24 116.25 118.23 3ag4 h VAL 193 Ca 0.21 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3ag4 h VAL 193 Cb 0.32 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3ag4 h VAL 193 CO -0.00 0.24 -0.18 -0.07 0.02 0.00 0.00 177.57 177.58 3ag4 h LEU 194 N 1.32 0.88 -0.35 2.57 3.38 -0.80 -2.54 115.31 119.78 3ag4 h LEU 194 Ca 0.37 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ag4 h LEU 194 Cb -0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3ag4 h LEU 194 CO -0.09 1.05 0.15 -0.07 0.09 0.00 0.00 178.44 179.57 3ag4 h LEU 195 N 0.77 0.21 -0.49 1.67 3.38 -0.85 -0.89 115.31 119.11 3ag4 h LEU 195 Ca 0.11 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ag4 h LEU 195 Cb 0.71 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3ag4 h LEU 195 CO 0.05 0.16 0.31 0.25 0.09 0.00 0.00 178.44 179.31 3ag4 h LEU 196 N 0.32 0.53 -0.06 1.67 5.85 -0.98 -1.93 115.31 120.72 3ag4 h LEU 196 Ca 0.15 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.62 3ag4 h LEU 196 Cb 0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ag4 h LEU 196 CO -0.13 0.38 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.22 3ag4 h LEU 197 N 0.64 0.45 0.13 2.25 3.38 -1.49 -3.40 115.31 117.26 3ag4 h LEU 197 Ca 0.19 -0.41 -0.36 0.00 0.09 0.00 0.00 57.88 57.38 3ag4 h LEU 197 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ag4 h LEU 197 CO -0.06 1.25 -1.98 0.77 0.09 0.00 0.00 178.44 178.52 3ag4 h SER 198 N 0.15 0.43 -0.36 -0.43 4.64 -1.05 -3.38 113.55 113.55 3ag4 h SER 198 Ca -0.10 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 3ag4 h SER 198 Cb 1.74 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 3ag4 h SER 198 CO 0.18 1.86 0.23 -0.07 -0.87 0.00 0.00 176.83 178.16 3ag4 h LEU 199 N 0.07 0.43 -1.61 5.97 3.38 -1.55 -2.10 115.31 119.89 3ag4 h LEU 199 Ca -0.42 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3ag4 h LEU 199 Cb 2.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 3ag4 h LEU 199 CO 0.10 0.32 -0.18 -0.65 0.09 0.00 0.00 178.44 178.11 3ag4 h PRO 200 N 0.50 0.00 -0.00 1.13 0.11 -1.78 0.63 132.00 132.59 3ag4 h PRO 200 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ag4 h PRO 200 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3ag4 h PRO 200 CO -0.03 0.18 -0.01 0.28 -0.21 0.00 0.00 178.00 178.22 3ag4 h VAL 201 N 0.00 1.50 -0.54 3.15 2.07 -1.57 -1.00 116.25 119.85 3ag4 h VAL 201 Ca -0.00 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.14 3ag4 h VAL 201 Cb 0.49 2.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 3ag4 h VAL 201 CO 0.02 0.39 0.08 0.25 0.02 0.00 0.00 177.57 178.33 3ag4 h LEU 202 N -0.62 -0.06 -1.28 2.57 5.85 -1.26 -0.23 115.31 120.28 3ag4 h LEU 202 Ca -0.00 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3ag4 h LEU 202 Cb 0.64 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3ag4 h LEU 202 CO 0.00 -0.01 0.54 0.00 -0.34 0.00 0.00 178.44 178.64 3ag4 h ALA 203 N 1.44 1.70 -0.26 1.25 0.00 -0.72 0.96 119.26 123.63 3ag4 h ALA 203 Ca 0.28 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 3ag4 h ALA 203 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ag4 h ALA 203 CO -0.39 0.13 -0.46 0.00 0.00 0.00 0.00 179.25 178.53 3ag4 h ALA 204 N 1.58 0.41 -0.21 0.00 0.00 -0.60 -1.52 119.26 118.92 3ag4 h ALA 204 Ca 0.39 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3ag4 h ALA 204 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ag4 h ALA 204 CO -0.16 0.56 -0.59 0.78 0.00 0.00 0.00 179.25 179.84 3ag4 h GLY 205 N 0.53 0.74 2.00 0.00 0.00 0.03 -1.58 103.07 104.78 3ag4 h GLY 205 Ca 0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3ag4 h GLY 205 CO 0.10 0.80 -0.10 0.16 0.00 0.00 0.00 176.54 177.50 3ag4 h ILE 206 N 0.50 0.20 -0.15 2.60 3.07 -0.85 -2.04 117.51 120.85 3ag4 h ILE 206 Ca -0.00 -1.03 -0.03 0.00 1.55 0.00 0.00 64.86 65.35 3ag4 h ILE 206 Cb 1.17 1.87 -0.00 0.00 -0.27 0.00 0.00 36.82 39.58 3ag4 h ILE 206 CO 0.12 0.10 -0.03 0.74 -1.05 0.00 0.00 178.15 178.02 3ag4 h THR 207 N 0.00 1.28 -0.94 0.16 2.02 -1.03 0.42 112.91 114.83 3ag4 h THR 207 Ca -0.00 -0.97 0.09 0.00 0.77 0.00 0.00 66.41 66.29 3ag4 h THR 207 Cb 0.86 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 3ag4 h THR 207 CO 0.01 0.29 0.58 0.24 0.37 0.00 0.00 175.52 177.01 3ag4 h MET 208 N -0.01 0.97 -0.43 6.66 2.86 -1.12 0.41 114.93 124.27 3ag4 h MET 208 Ca 0.04 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3ag4 h MET 208 Cb 0.45 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3ag4 h MET 208 CO 0.01 0.64 0.15 1.25 1.06 0.00 0.00 176.91 180.02 3ag4 h LEU 209 N 1.00 0.61 -0.66 1.22 5.85 -1.09 -0.39 115.31 121.84 3ag4 h LEU 209 Ca 0.44 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3ag4 h LEU 209 Cb 0.32 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3ag4 h LEU 209 CO -0.22 0.64 0.40 0.25 -0.34 0.00 0.00 178.44 179.17 3ag4 h LEU 210 N 0.55 0.63 -0.54 2.25 5.85 -0.46 0.54 115.31 124.13 3ag4 h LEU 210 Ca 0.14 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3ag4 h LEU 210 Cb 0.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ag4 h LEU 210 CO -0.01 0.43 -0.68 0.71 -0.34 0.00 0.00 178.44 178.55 3ag4 h THR 211 N 0.76 1.41 -0.75 1.05 1.35 -0.77 -0.44 112.91 115.52 3ag4 h THR 211 Ca 0.28 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.97 3ag4 h THR 211 Cb 0.08 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 3ag4 h THR 211 CO -0.13 0.63 0.41 0.44 -0.25 0.00 0.00 175.52 176.62 3ag4 h ASP 212 N 0.17 0.93 1.21 5.36 3.45 -0.60 0.43 116.42 127.37 3ag4 h ASP 212 Ca -0.02 -0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.26 3ag4 h ASP 212 Cb 1.22 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.74 3ag4 h ASP 212 CO 0.11 0.75 -0.50 0.03 -1.57 0.00 0.00 179.24 178.06 3ag4 h ARG 213 N 1.05 0.00 0.00 3.56 3.08 -0.51 -3.38 114.38 118.18 3ag4 h ARG 213 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3ag4 h ARG 213 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ag4 h ARG 213 CO -0.04 0.50 -0.13 0.09 -1.07 0.00 0.00 179.97 179.31 3ag4 n ASN 214 N -3.35 0.65 -0.09 7.04 3.02 -0.21 -4.76 115.26 117.56 3ag4 n ASN 214 Ca 0.01 -0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.46 3ag4 n ASN 214 Cb 0.67 0.46 0.10 0.00 -0.61 0.00 0.00 39.78 40.39 3ag4 n ASN 214 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ag4 n LEU 215 N -0.52 2.01 -2.11 3.41 4.77 0.15 -4.99 117.00 119.72 3ag4 n LEU 215 Ca 0.00 -2.62 -0.19 0.00 -0.03 0.00 0.00 56.01 53.17 3ag4 n LEU 215 Cb 0.00 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3ag4 n LEU 215 CO 0.00 0.61 -0.23 0.59 -1.33 0.00 0.00 177.39 177.04 3ag4 n ASN 216 N -1.10 -5.38 -4.79 -1.43 3.02 -1.09 -4.97 115.26 99.52 3ag4 n ASN 216 Ca 0.11 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 3ag4 n ASN 216 Cb 0.57 -4.59 0.11 0.00 -0.61 0.00 0.00 39.78 35.26 3ag4 n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ag4 s THR 217 N -2.85 2.72 -0.30 3.41 -4.23 -1.12 -5.01 115.64 108.27 3ag4 s THR 217 Ca 0.00 0.24 0.19 0.00 -1.18 0.00 0.00 61.69 60.94 3ag4 s THR 217 Cb 0.00 -2.95 0.48 0.00 1.34 0.00 0.00 72.50 71.37 3ag4 s THR 217 CO 0.00 -0.31 1.03 0.35 -0.54 0.00 0.00 174.62 175.15 3ag4 n THR 218 N -3.58 1.20 -0.33 3.99 -2.24 -1.26 -4.33 114.28 107.73 3ag4 n THR 218 Ca 0.07 -3.10 0.03 0.00 -2.27 0.00 0.00 64.05 58.78 3ag4 n THR 218 Cb 0.57 0.81 0.21 0.00 -2.10 0.00 0.00 70.33 69.82 3ag4 n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ag4 h PHE 219 N 2.80 1.11 -0.27 4.78 -1.00 -1.95 -2.68 116.94 119.72 3ag4 h PHE 219 Ca -0.09 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.72 3ag4 h PHE 219 Cb 1.22 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.41 3ag4 h PHE 219 CO 0.52 0.59 0.00 1.19 -1.61 0.00 0.00 178.31 179.00 3ag4 n PHE 220 N -4.48 0.41 -3.71 -0.55 3.72 -1.26 -1.67 117.46 109.91 3ag4 n PHE 220 Ca 0.14 -0.54 -0.38 0.00 -0.05 0.00 0.00 57.45 56.62 3ag4 n PHE 220 Cb 0.17 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.54 3ag4 n PHE 220 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ag4 s ASP 221 N -1.10 5.39 0.60 4.37 -1.08 -1.02 -3.03 116.67 120.80 3ag4 s ASP 221 Ca 0.21 -1.41 0.29 0.00 -0.52 0.00 0.00 52.55 51.11 3ag4 s ASP 221 Cb 0.12 -1.89 1.55 0.00 -1.46 0.00 0.00 42.92 41.24 3ag4 s ASP 221 CO 0.12 -0.43 1.96 1.55 0.52 0.00 0.00 175.17 178.89 3ag4 h PRO 222 N 8.24 0.00 0.00 4.34 0.13 -1.83 0.01 132.00 142.89 3ag4 h PRO 222 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3ag4 h PRO 222 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ag4 h PRO 222 CO 0.67 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.32 3ag4 h ALA 223 N 1.52 1.55 -0.63 -0.56 0.00 -1.93 0.94 119.26 120.14 3ag4 h ALA 223 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ag4 h ALA 223 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ag4 h ALA 223 CO -0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.80 3ag4 n GLY 224 N -0.99 2.70 0.61 0.00 0.00 -0.38 -4.91 105.19 102.21 3ag4 n GLY 224 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3ag4 n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 225 N 1.21 0.80 2.11 -0.02 0.00 0.32 -4.96 105.19 104.66 3ag4 n GLY 225 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 3ag4 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 226 N -2.20 -0.62 3.48 -0.02 0.00 -0.15 -4.91 105.19 100.78 3ag4 n GLY 226 Ca 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 3ag4 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag4 s ASP 227 N -3.50 -0.75 0.39 1.61 3.68 -0.67 -3.08 116.67 114.34 3ag4 s ASP 227 Ca 0.39 1.31 0.08 0.00 2.13 0.00 0.00 52.55 56.46 3ag4 s ASP 227 Cb -0.01 1.75 0.84 0.00 -1.45 0.00 0.00 42.92 44.04 3ag4 s ASP 227 CO 0.27 -0.22 1.97 -0.65 0.13 0.00 0.00 175.17 176.67 3ag4 h PRO 228 N 7.90 0.62 -0.26 4.34 0.11 -1.83 -2.10 132.00 140.78 3ag4 h PRO 228 Ca -0.20 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3ag4 h PRO 228 Cb 1.12 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3ag4 h PRO 228 CO 0.13 0.41 0.05 0.82 -0.21 0.00 0.00 178.00 179.19 3ag4 h ILE 229 N 0.63 1.14 -0.98 4.15 1.08 -1.91 -2.31 117.51 119.32 3ag4 h ILE 229 Ca 0.29 -0.50 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 3ag4 h ILE 229 Cb 0.31 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 3ag4 h ILE 229 CO -0.09 0.18 0.63 0.25 -0.69 0.00 0.00 178.15 178.43 3ag4 h LEU 230 N 0.38 0.99 -0.76 1.44 5.85 -1.74 -2.16 115.31 119.31 3ag4 h LEU 230 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3ag4 h LEU 230 Cb 0.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3ag4 h LEU 230 CO -0.00 0.63 0.37 0.22 -0.34 0.00 0.00 178.44 179.32 3ag4 h TYR 231 N 1.12 1.09 -0.98 1.25 5.03 -1.49 -2.26 116.97 120.72 3ag4 h TYR 231 Ca 0.43 -0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.70 3ag4 h TYR 231 Cb 0.21 -0.34 -0.05 0.00 1.55 0.00 0.00 36.73 38.10 3ag4 h TYR 231 CO -0.00 0.79 0.65 1.96 -1.32 0.00 0.00 178.16 180.24 3ag4 h GLN 232 N 1.06 1.28 -0.56 1.82 4.20 -1.37 0.23 115.11 121.79 3ag4 h GLN 232 Ca 0.26 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3ag4 h GLN 232 Cb 0.11 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3ag4 h GLN 232 CO -0.03 0.85 0.18 0.45 -0.67 0.00 0.00 178.83 179.60 3ag4 h HIS 233 N 1.32 0.89 -0.28 2.96 3.86 -1.12 -1.32 115.15 121.46 3ag4 h HIS 233 Ca 0.36 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3ag4 h HIS 233 Cb -0.13 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 3ag4 h HIS 233 CO -0.00 0.75 -0.01 -0.07 0.86 0.00 0.00 177.93 179.46 3ag4 h LEU 234 N 0.77 0.49 0.50 2.43 3.38 -1.02 0.17 115.31 122.04 3ag4 h LEU 234 Ca 0.18 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3ag4 h LEU 234 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ag4 h LEU 234 CO -0.01 0.69 -0.31 0.15 0.09 0.00 0.00 178.44 179.05 3ag4 h PHE 235 N 0.28 -0.81 0.00 1.13 3.57 -0.97 -2.91 116.94 117.23 3ag4 h PHE 235 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3ag4 h PHE 235 Cb 0.44 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3ag4 h PHE 235 CO 0.04 -0.47 -0.17 -1.49 -2.23 0.00 0.00 178.31 173.98 3ag4 h TRP 236 N -0.76 0.00 -0.35 0.41 4.06 -1.25 0.81 115.95 118.87 3ag4 h TRP 236 Ca -0.06 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 3ag4 h TRP 236 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 3ag4 h TRP 236 CO -0.10 0.17 0.09 0.35 -3.56 0.00 0.00 178.44 175.40 3ag4 h PHE 237 N 0.00 0.51 0.24 0.49 3.04 -0.48 0.03 116.94 120.77 3ag4 h PHE 237 Ca -0.00 -0.03 -0.34 0.00 3.98 0.00 0.00 57.97 61.58 3ag4 h PHE 237 Cb 0.64 -0.16 0.03 0.00 2.56 0.00 0.00 35.95 39.02 3ag4 h PHE 237 CO 0.00 0.45 -1.52 0.35 -2.02 0.00 0.00 178.31 175.57 3ag4 h PHE 238 N 0.50 0.94 -0.46 0.41 3.57 -1.17 -3.39 116.94 117.34 3ag4 h PHE 238 Ca 0.12 -0.68 -0.06 0.00 3.53 0.00 0.00 57.97 60.87 3ag4 h PHE 238 Cb 0.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3ag4 h PHE 238 CO 0.01 1.58 0.03 0.78 -2.23 0.00 0.00 178.31 178.48 3ag4 h GLY 239 N 0.22 0.79 0.62 2.40 0.00 0.13 0.19 103.07 107.42 3ag4 h GLY 239 Ca -0.27 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 3ag4 h GLY 239 CO 0.26 0.46 -0.18 0.84 0.00 0.00 0.00 176.54 177.92 3ag4 h HIS 240 N 0.69 -0.46 -0.87 5.60 -0.00 -1.22 -2.38 115.15 116.51 3ag4 h HIS 240 Ca 0.14 -0.01 0.22 0.00 -0.00 0.00 0.00 60.37 60.72 3ag4 h HIS 240 Cb 0.39 0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 27.82 3ag4 h HIS 240 CO 0.02 -0.13 0.32 -1.35 -0.00 0.00 0.00 177.93 176.79 3ag4 h PRO 241 N -0.88 0.31 -0.90 5.26 0.11 -1.56 0.19 132.00 134.53 3ag4 h PRO 241 Ca -0.05 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.29 3ag4 h PRO 241 Cb 0.54 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.44 3ag4 h PRO 241 CO 0.08 0.20 0.28 1.49 -0.21 0.00 0.00 178.00 179.85 3ag4 h GLU 242 N 0.32 0.21 -0.34 1.05 4.57 -0.54 0.49 114.58 120.35 3ag4 h GLU 242 Ca 0.54 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.64 3ag4 h GLU 242 Cb 1.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 3ag4 h GLU 242 CO -0.57 0.14 -0.10 -0.39 -1.18 0.00 0.00 179.01 176.91 3ag4 h VAL 243 N 0.22 1.23 -0.10 0.32 -1.51 -0.41 -0.50 116.25 115.50 3ag4 h VAL 243 Ca 0.58 -1.02 -0.21 0.00 -1.23 0.00 0.00 66.70 64.82 3ag4 h VAL 243 Cb 1.21 1.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3ag4 h VAL 243 CO -0.66 0.34 -0.80 1.88 -1.23 0.00 0.00 177.57 177.11 3ag4 h TYR 244 N 0.53 0.85 -0.83 5.19 0.05 -1.32 -2.78 116.97 118.66 3ag4 h TYR 244 Ca 0.10 -0.39 0.13 0.00 0.05 0.00 0.00 58.73 58.62 3ag4 h TYR 244 Cb 0.49 -0.12 -0.09 0.00 1.01 0.00 0.00 36.73 38.01 3ag4 h TYR 244 CO 0.02 1.19 0.43 0.82 -1.05 0.00 0.00 178.16 179.58 3ag4 h ILE 245 N 0.41 0.79 0.00 -2.88 2.04 -0.51 0.20 117.51 117.55 3ag4 h ILE 245 Ca -0.05 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 3ag4 h ILE 245 Cb 1.41 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3ag4 h ILE 245 CO 0.15 0.12 -0.50 -0.07 0.00 0.00 0.00 178.15 177.86 3ag4 h LEU 246 N 0.66 0.00 0.00 1.44 3.38 -0.93 -3.34 115.31 116.52 3ag4 h LEU 246 Ca 0.43 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.15 3ag4 h LEU 246 Cb 0.55 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3ag4 h LEU 246 CO -0.32 0.50 -2.14 0.00 0.09 0.00 0.00 178.44 176.57 3ag4 n ILE 247 N -3.77 0.96 -0.13 1.22 0.13 -0.83 -4.55 119.36 112.39 3ag4 n ILE 247 Ca -0.01 -0.68 -0.04 0.00 -1.10 0.00 0.00 62.75 60.92 3ag4 n ILE 247 Cb 0.54 -0.41 0.04 0.00 -0.84 0.00 0.00 39.64 38.97 3ag4 n ILE 247 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ag4 h LEU 248 N 0.00 -0.02 -2.20 9.51 3.38 -0.74 -0.31 115.31 124.94 3ag4 h LEU 248 Ca -0.38 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3ag4 h LEU 248 Cb 1.84 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 3ag4 h LEU 248 CO 0.02 0.02 -0.06 -0.65 0.09 0.00 0.00 178.44 177.86 3ag4 h PRO 249 N 0.20 0.00 -0.50 1.13 0.11 -1.76 -1.22 132.00 129.96 3ag4 h PRO 249 Ca 0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 3ag4 h PRO 249 Cb 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3ag4 h PRO 249 CO -0.29 0.06 0.03 0.78 -0.21 0.00 0.00 178.00 178.37 3ag4 h GLY 250 N 0.46 0.92 0.99 -0.55 0.00 -1.35 -0.56 103.07 102.99 3ag4 h GLY 250 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 3ag4 h GLY 250 CO 0.01 0.61 0.19 0.74 0.00 0.00 0.00 176.54 178.09 3ag4 h PHE 251 N 0.72 0.90 0.16 5.60 0.05 -0.39 0.23 116.94 124.21 3ag4 h PHE 251 Ca 0.14 -0.08 0.02 0.00 3.82 0.00 0.00 57.97 61.87 3ag4 h PHE 251 Cb 0.48 -0.26 -0.04 0.00 2.00 0.00 0.00 35.95 38.12 3ag4 h PHE 251 CO 0.04 0.75 -0.40 0.78 -0.18 0.00 0.00 178.31 179.29 3ag4 h GLY 252 N 0.79 -0.83 1.02 -1.45 0.00 -1.01 -1.34 103.07 100.25 3ag4 h GLY 252 Ca 0.19 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 3ag4 h GLY 252 CO -0.01 -0.27 0.54 -0.33 0.00 0.00 0.00 176.54 176.47 3ag4 h MET 253 N -0.66 1.27 -0.29 4.80 2.86 -0.85 -2.55 114.93 119.51 3ag4 h MET 253 Ca 0.01 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3ag4 h MET 253 Cb 0.68 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3ag4 h MET 253 CO -0.21 0.90 0.06 0.82 1.06 0.00 0.00 176.91 179.54 3ag4 h ILE 254 N 1.29 0.86 -0.70 -1.22 1.08 -0.39 0.17 117.51 118.59 3ag4 h ILE 254 Ca 0.33 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.82 3ag4 h ILE 254 Cb -0.03 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.34 3ag4 h ILE 254 CO -0.06 0.03 0.37 0.28 -0.69 0.00 0.00 178.15 178.08 3ag4 h SER 255 N 0.17 0.52 -0.51 1.72 0.02 -1.01 0.25 113.55 114.70 3ag4 h SER 255 Ca 0.14 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3ag4 h SER 255 Cb 0.14 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3ag4 h SER 255 CO -0.18 0.31 -0.01 0.45 -1.14 0.00 0.00 176.83 176.26 3ag4 h HIS 256 N 0.65 1.03 -0.21 3.45 3.86 -0.93 -2.29 115.15 120.70 3ag4 h HIS 256 Ca 0.33 -0.17 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3ag4 h HIS 256 Cb 0.29 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ag4 h HIS 256 CO -0.09 0.93 -0.21 0.82 0.86 0.00 0.00 177.93 180.23 3ag4 h ILE 257 N 0.88 1.33 -0.17 2.45 2.04 -0.24 -0.83 117.51 122.96 3ag4 h ILE 257 Ca 0.16 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3ag4 h ILE 257 Cb 0.52 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3ag4 h ILE 257 CO 0.03 0.42 0.08 0.58 0.00 0.00 0.00 178.15 179.26 3ag4 h VAL 258 N 0.20 1.14 -0.19 1.67 2.07 -1.01 -0.52 116.25 119.61 3ag4 h VAL 258 Ca 0.03 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3ag4 h VAL 258 Cb 0.76 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3ag4 h VAL 258 CO 0.05 0.13 0.01 0.74 0.02 0.00 0.00 177.57 178.52 3ag4 h THR 259 N 0.15 0.88 0.33 2.57 2.02 -1.39 -1.92 112.91 115.55 3ag4 h THR 259 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3ag4 h THR 259 Cb 0.13 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ag4 h THR 259 CO -0.01 0.01 -0.16 0.22 0.37 0.00 0.00 175.52 175.96 3ag4 h TYR 260 N 0.07 -0.41 -0.00 3.16 3.20 -1.03 -0.49 116.97 121.48 3ag4 h TYR 260 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ag4 h TYR 260 Cb 0.10 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3ag4 h TYR 260 CO -0.16 -0.22 -0.00 0.66 -1.64 0.00 0.00 178.16 176.79 3ag4 n TYR 261 N -5.26 0.00 1.53 -3.82 4.01 -0.21 -1.48 117.16 111.92 3ag4 n TYR 261 Ca -0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.77 3ag4 n TYR 261 Cb 0.21 -0.08 0.55 0.00 -0.31 0.00 0.00 39.34 39.70 3ag4 n TYR 261 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ag4 n SER 262 N -1.04 1.23 -0.96 7.72 7.64 -0.72 -0.32 113.62 127.17 3ag4 n SER 262 Ca 0.21 -1.48 -0.10 0.00 1.01 0.00 0.00 58.87 58.51 3ag4 n SER 262 Cb 0.16 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 3ag4 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ag4 n GLY 263 N 1.11 0.40 3.82 0.23 0.00 -0.55 -1.78 105.19 108.43 3ag4 n GLY 263 Ca 0.19 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3ag4 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ag4 s LYS 264 N -3.86 3.01 0.07 1.61 3.01 -0.20 -4.81 119.74 118.57 3ag4 s LYS 264 Ca 0.00 -0.78 0.25 0.00 -1.01 0.00 0.00 55.97 54.44 3ag4 s LYS 264 Cb 0.00 -2.73 0.60 0.00 -1.01 0.00 0.00 37.83 34.69 3ag4 s LYS 264 CO 0.00 0.51 1.50 0.36 0.51 0.00 0.00 175.35 178.23 3ag4 n LYS 265 N -0.21 0.15 -3.52 1.68 2.85 -1.26 -4.52 118.16 113.34 3ag4 n LYS 265 Ca -0.08 0.06 -0.16 0.00 -1.05 0.00 0.00 58.31 57.08 3ag4 n LYS 265 Cb 0.54 -1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 33.25 3ag4 n LYS 265 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3ag4 s GLU 266 N -3.08 1.08 0.65 -1.58 -1.05 -1.26 -4.86 118.70 108.61 3ag4 s GLU 266 Ca 0.09 0.03 -0.15 0.00 -0.15 0.00 0.00 54.97 54.79 3ag4 s GLU 266 Cb 0.15 0.51 -0.00 0.00 -0.44 0.00 0.00 34.13 34.35 3ag4 s GLU 266 CO 0.67 -0.38 1.12 -1.25 0.95 0.00 0.00 175.26 176.38 3ag4 s PRO 267 N -1.88 2.79 0.32 -4.83 0.04 -1.26 -4.94 135.00 125.24 3ag4 s PRO 267 Ca -0.08 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3ag4 s PRO 267 Cb -0.01 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 3ag4 s PRO 267 CO 0.04 -1.27 1.31 0.12 0.04 0.00 0.00 177.00 177.24 3ag4 s PHE 268 N -2.23 3.06 -1.08 0.56 5.36 -1.26 -4.04 117.98 118.35 3ag4 s PHE 268 Ca 0.68 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 58.03 3ag4 s PHE 268 Cb -0.22 -3.68 -0.01 0.00 -0.34 0.00 0.00 43.02 38.77 3ag4 s PHE 268 CO 0.40 -1.90 0.91 0.41 -1.46 0.00 0.00 175.22 173.58 3ag4 n GLY 269 N 0.97 -0.40 0.26 13.12 0.00 -1.26 -4.81 105.19 113.07 3ag4 n GLY 269 Ca 0.01 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3ag4 n GLY 269 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ag4 h TYR 270 N -1.63 -0.55 -0.07 1.61 3.20 -2.00 -0.48 116.97 117.05 3ag4 h TYR 270 Ca -0.54 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.29 3ag4 h TYR 270 Cb 1.31 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 3ag4 h TYR 270 CO 0.38 -0.30 -0.35 0.52 -1.64 0.00 0.00 178.16 176.77 3ag4 h MET 271 N -0.14 0.15 -0.50 1.82 2.86 -1.96 -1.07 114.93 116.09 3ag4 h MET 271 Ca 0.20 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3ag4 h MET 271 Cb 0.45 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3ag4 h MET 271 CO -0.51 0.49 0.23 0.78 1.06 0.00 0.00 176.91 178.96 3ag4 h GLY 272 N 1.12 0.75 1.02 8.32 0.00 -1.56 -0.26 103.07 112.45 3ag4 h GLY 272 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 3ag4 h GLY 272 CO 0.05 0.33 -0.48 -0.33 0.00 0.00 0.00 176.54 176.11 3ag4 h MET 273 N 0.70 0.71 0.07 4.80 2.07 -0.04 0.85 114.93 124.10 3ag4 h MET 273 Ca 0.18 -0.47 0.01 0.00 -2.07 0.00 0.00 59.70 57.34 3ag4 h MET 273 Cb 0.09 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 3ag4 h MET 273 CO -0.02 1.09 -0.09 0.28 1.07 0.00 0.00 176.91 179.24 3ag4 h VAL 274 N 0.42 0.79 -0.96 -2.22 2.07 -1.16 -1.64 116.25 113.55 3ag4 h VAL 274 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ag4 h VAL 274 Cb 1.09 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3ag4 h VAL 274 CO 0.11 0.00 0.61 -0.25 0.02 0.00 0.00 177.57 178.05 3ag4 h TRP 275 N -0.20 1.11 -0.35 1.57 7.01 -0.98 -1.12 115.95 123.00 3ag4 h TRP 275 Ca 0.01 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.93 3ag4 h TRP 275 Cb 0.20 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 3ag4 h TRP 275 CO -0.12 0.53 -0.22 0.00 -2.79 0.00 0.00 178.44 175.84 3ag4 h ALA 276 N 1.47 0.50 -0.37 2.65 0.00 -0.36 -1.12 119.26 122.04 3ag4 h ALA 276 Ca 0.44 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 276 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ag4 h ALA 276 CO -0.21 0.47 -0.17 0.52 0.00 0.00 0.00 179.25 179.86 3ag4 h MET 277 N 0.56 0.76 -0.50 0.00 2.86 -1.10 -1.32 114.93 116.19 3ag4 h MET 277 Ca 0.07 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3ag4 h MET 277 Cb 0.77 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 3ag4 h MET 277 CO 0.06 0.94 0.30 0.52 1.06 0.00 0.00 176.91 179.79 3ag4 h MET 278 N 0.56 0.58 -0.47 1.72 2.07 -1.09 0.15 114.93 118.44 3ag4 h MET 278 Ca 0.08 -0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 57.61 3ag4 h MET 278 Cb 0.71 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 3ag4 h MET 278 CO 0.05 0.38 0.04 0.77 1.07 0.00 0.00 176.91 179.23 3ag4 h SER 279 N 0.60 0.77 -0.52 1.22 0.02 -1.15 0.29 113.55 114.79 3ag4 h SER 279 Ca 0.20 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3ag4 h SER 279 Cb 0.02 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3ag4 h SER 279 CO -0.09 0.86 0.18 0.40 -1.14 0.00 0.00 176.83 177.04 3ag4 h ILE 280 N 0.66 1.22 -0.34 3.27 2.04 -1.12 -1.20 117.51 122.04 3ag4 h ILE 280 Ca 0.14 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3ag4 h ILE 280 Cb 0.44 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3ag4 h ILE 280 CO 0.02 0.27 0.22 1.23 0.00 0.00 0.00 178.15 179.89 3ag4 h GLY 281 N 0.70 0.48 0.91 5.37 0.00 -0.26 0.68 103.07 110.95 3ag4 h GLY 281 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ag4 h GLY 281 CO -0.01 0.17 -0.12 -2.75 0.00 0.00 0.00 176.54 173.84 3ag4 h PHE 282 N 0.46 -0.30 0.00 5.60 3.57 -0.85 -2.93 116.94 122.49 3ag4 h PHE 282 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3ag4 h PHE 282 Cb -0.05 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3ag4 h PHE 282 CO -0.05 -0.12 0.00 1.28 -2.23 0.00 0.00 178.31 177.19 3ag4 n LEU 283 N -5.19 0.65 0.05 0.59 4.77 -0.46 -2.46 117.00 114.95 3ag4 n LEU 283 Ca -0.09 0.66 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 3ag4 n LEU 283 Cb 0.18 -0.57 0.42 0.00 -2.33 0.00 0.00 43.42 41.12 3ag4 n LEU 283 CO 0.34 -0.54 0.81 0.61 -1.33 0.00 0.00 177.39 177.29 3ag4 n GLY 284 N 0.04 -1.22 0.69 -0.72 0.00 0.22 -1.79 105.19 102.42 3ag4 n GLY 284 Ca 0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3ag4 n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ag4 n PHE 285 N -1.81 0.09 -1.41 1.61 3.72 -1.03 -3.51 117.46 115.12 3ag4 n PHE 285 Ca 0.04 -0.04 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3ag4 n PHE 285 Cb 0.23 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.88 3ag4 n PHE 285 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3ag4 n ILE 286 N 0.65 1.35 -0.23 4.37 -5.35 -0.74 -4.70 119.36 114.72 3ag4 n ILE 286 Ca 0.17 -1.71 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 3ag4 n ILE 286 Cb 0.44 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 3ag4 n ILE 286 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ag4 n VAL 287 N -0.96 0.25 0.13 7.28 0.24 -1.25 -4.84 118.33 119.17 3ag4 n VAL 287 Ca 0.12 -0.51 0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3ag4 n VAL 287 Cb 0.68 1.03 0.67 0.00 -1.47 0.00 0.00 33.84 34.75 3ag4 n VAL 287 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3ag4 h TRP 288 N 0.00 0.00 0.00 6.34 0.09 -1.85 -2.11 115.95 118.43 3ag4 h TRP 288 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ag4 h TRP 288 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.52 3ag4 h TRP 288 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ag4 n ALA 289 N -2.59 2.61 0.16 0.11 0.00 -1.26 -1.32 120.51 118.22 3ag4 n ALA 289 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.31 3ag4 n ALA 289 Cb 0.35 -1.50 0.09 0.00 0.00 0.00 0.00 19.45 18.39 3ag4 n ALA 289 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ag4 n HIS 290 N -1.04 0.00 1.46 0.00 1.44 -0.79 -0.88 115.22 115.41 3ag4 n HIS 290 Ca 0.22 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.01 3ag4 n HIS 290 Cb 0.12 -0.38 0.34 0.00 0.12 0.00 0.00 29.99 30.19 3ag4 n HIS 290 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3ag4 n HIS 291 N -1.38 0.18 -2.21 -1.40 8.25 -0.43 -4.26 115.22 113.96 3ag4 n HIS 291 Ca 0.01 -0.09 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 3ag4 n HIS 291 Cb 0.04 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.17 3ag4 n HIS 291 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ag4 n MET 292 N -0.04 0.09 0.06 -0.41 2.00 -0.06 -4.89 117.12 113.87 3ag4 n MET 292 Ca 0.13 -1.61 0.09 0.00 0.00 0.00 0.00 57.70 56.31 3ag4 n MET 292 Cb 0.21 -0.32 0.40 0.00 0.00 0.00 0.00 33.22 33.52 3ag4 n MET 292 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ag4 n PHE 293 N 0.17 0.36 0.12 2.03 3.72 -1.23 -2.34 117.46 120.29 3ag4 n PHE 293 Ca 0.04 0.14 0.09 0.00 -0.05 0.00 0.00 57.45 57.67 3ag4 n PHE 293 Cb 0.92 -0.72 0.19 0.00 -0.94 0.00 0.00 39.48 38.92 3ag4 n PHE 293 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ag4 n THR 294 N -1.83 0.62 0.69 4.37 -2.24 -1.26 -4.42 114.28 110.20 3ag4 n THR 294 Ca 0.03 -0.81 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 3ag4 n THR 294 Cb 0.21 0.84 0.44 0.00 -2.10 0.00 0.00 70.33 69.73 3ag4 n THR 294 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ag4 n VAL 295 N 1.15 0.59 0.00 2.28 0.24 -0.99 -4.86 118.33 116.74 3ag4 n VAL 295 Ca 0.16 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3ag4 n VAL 295 Cb 0.52 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 3ag4 n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ag4 n GLY 296 N 0.63 0.74 3.69 7.63 0.00 -1.26 -5.10 105.19 111.52 3ag4 n GLY 296 Ca 0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3ag4 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ag4 s MET 297 N -0.79 3.21 0.83 1.61 1.00 -1.26 -5.08 119.30 118.82 3ag4 s MET 297 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 55.69 55.18 3ag4 s MET 297 Cb 0.00 -2.90 0.06 0.00 0.00 0.00 0.00 34.83 31.98 3ag4 s MET 297 CO 0.00 0.63 0.92 -0.25 0.00 0.00 0.00 175.02 176.32 3ag4 n ASP 298 N 2.38 -0.02 -0.10 3.03 8.00 -1.26 -4.79 116.55 123.79 3ag4 n ASP 298 Ca -0.18 0.53 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 3ag4 n ASP 298 Cb 0.54 -1.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.25 3ag4 n ASP 298 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ag4 h VAL 299 N -1.00 1.28 -0.43 2.53 3.04 -1.99 -2.44 116.25 117.23 3ag4 h VAL 299 Ca -0.45 -1.54 -0.11 0.00 -1.01 0.00 0.00 66.70 63.59 3ag4 h VAL 299 Cb 1.30 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.95 3ag4 h VAL 299 CO 0.43 0.51 -0.18 0.44 -1.01 0.00 0.00 177.57 177.76 3ag4 h ASP 300 N 0.71 0.83 -0.63 3.17 3.32 -1.99 -0.15 116.42 121.69 3ag4 h ASP 300 Ca 0.06 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3ag4 h ASP 300 Cb 0.94 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3ag4 h ASP 300 CO 0.09 1.00 0.35 0.74 -1.72 0.00 0.00 179.24 179.69 3ag4 h THR 301 N 0.73 1.20 -0.84 0.35 2.02 -1.90 -1.52 112.91 112.95 3ag4 h THR 301 Ca 0.11 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3ag4 h THR 301 Cb 0.69 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3ag4 h THR 301 CO 0.05 0.22 0.54 0.03 0.37 0.00 0.00 175.52 176.73 3ag4 h ARG 302 N 0.86 1.12 -0.46 6.66 3.08 -1.10 -0.13 114.38 124.40 3ag4 h ARG 302 Ca 0.22 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3ag4 h ARG 302 Cb 0.04 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3ag4 h ARG 302 CO -0.04 0.75 -0.05 0.00 -1.07 0.00 0.00 179.97 179.57 3ag4 h ALA 303 N 1.30 0.62 -0.33 0.04 0.00 -0.69 -0.94 119.26 119.25 3ag4 h ALA 303 Ca 0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ag4 h ALA 303 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ag4 h ALA 303 CO -0.06 0.46 0.01 -0.92 0.00 0.00 0.00 179.25 178.74 3ag4 h TYR 304 N 0.69 0.63 -0.05 0.00 3.20 -1.04 -2.61 116.97 117.78 3ag4 h TYR 304 Ca 0.12 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3ag4 h TYR 304 Cb 0.57 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3ag4 h TYR 304 CO 0.04 0.69 -0.45 0.74 -1.64 0.00 0.00 178.16 177.54 3ag4 h PHE 305 N 0.39 0.14 -0.44 -3.82 0.04 -0.88 -1.29 116.94 111.08 3ag4 h PHE 305 Ca 0.10 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3ag4 h PHE 305 Cb 0.43 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3ag4 h PHE 305 CO 0.03 0.55 0.23 1.15 -0.60 0.00 0.00 178.31 179.68 3ag4 h THR 306 N 0.10 1.17 -0.07 -1.55 2.02 -1.07 -1.54 112.91 111.98 3ag4 h THR 306 Ca 0.01 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3ag4 h THR 306 Cb 0.84 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3ag4 h THR 306 CO 0.06 0.18 -0.26 0.28 0.37 0.00 0.00 175.52 176.16 3ag4 h SER 307 N 0.58 0.34 -0.79 4.18 0.02 -1.24 -2.05 113.55 114.58 3ag4 h SER 307 Ca 0.15 -0.63 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3ag4 h SER 307 Cb 0.08 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3ag4 h SER 307 CO -0.02 0.92 0.52 0.00 -1.14 0.00 0.00 176.83 177.10 3ag4 h ALA 308 N 0.43 1.01 -0.41 3.77 0.00 -1.28 -2.29 119.26 120.49 3ag4 h ALA 308 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 308 Cb 0.89 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3ag4 h ALA 308 CO 0.05 0.43 0.19 1.15 0.00 0.00 0.00 179.25 181.07 3ag4 h THR 309 N 1.08 0.94 -0.52 0.00 2.02 -1.26 -3.14 112.91 112.03 3ag4 h THR 309 Ca 0.29 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.37 3ag4 h THR 309 Cb -0.11 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3ag4 h THR 309 CO -0.06 0.07 0.31 0.24 0.37 0.00 0.00 175.52 176.44 3ag4 h MET 310 N 0.38 0.59 -1.21 6.66 2.86 -1.17 -2.97 114.93 120.07 3ag4 h MET 310 Ca 0.18 -0.04 0.35 0.00 -2.06 0.00 0.00 59.70 58.14 3ag4 h MET 310 Cb 0.12 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 31.55 3ag4 h MET 310 CO -0.15 0.39 0.80 0.82 1.06 0.00 0.00 176.91 179.84 3ag4 h ILE 311 N 0.61 0.35 -0.08 -1.22 2.04 -1.37 -1.91 117.51 115.93 3ag4 h ILE 311 Ca 0.21 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 3ag4 h ILE 311 Cb 0.04 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3ag4 h ILE 311 CO -0.10 0.04 -0.09 0.40 0.00 0.00 0.00 178.15 178.39 3ag4 h ILE 312 N 0.19 1.12 0.00 -0.67 1.08 -1.55 -0.09 117.51 117.59 3ag4 h ILE 312 Ca 0.67 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3ag4 h ILE 312 Cb 2.11 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 37.02 3ag4 h ILE 312 CO -0.25 0.16 -0.01 0.00 -0.69 0.00 0.00 178.15 177.35 3ag4 h ALA 313 N 1.80 1.25 0.49 1.87 0.00 -1.47 -2.52 119.26 120.67 3ag4 h ALA 313 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ag4 h ALA 313 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ag4 h ALA 313 CO 0.01 0.01 -0.23 0.82 0.00 0.00 0.00 179.25 179.86 3ag4 h ILE 314 N 0.00 0.00 -0.64 0.00 2.04 -1.12 -0.88 117.51 116.91 3ag4 h ILE 314 Ca -0.00 -0.33 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3ag4 h ILE 314 Cb 0.05 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3ag4 h ILE 314 CO 0.00 0.00 0.43 1.55 0.00 0.00 0.00 178.15 180.13 3ag4 h PRO 315 N -0.99 0.42 -0.72 2.37 0.13 -1.68 -1.95 132.00 129.58 3ag4 h PRO 315 Ca -0.07 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3ag4 h PRO 315 Cb 0.50 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 3ag4 h PRO 315 CO 0.11 0.28 0.43 1.15 -0.23 0.00 0.00 178.00 179.74 3ag4 h THR 316 N 0.43 1.20 -0.18 1.56 2.02 -1.39 -3.12 112.91 113.44 3ag4 h THR 316 Ca 0.30 -0.45 -0.20 0.00 0.77 0.00 0.00 66.41 66.83 3ag4 h THR 316 Cb 0.59 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ag4 h THR 316 CO -0.09 0.21 -0.65 1.23 0.37 0.00 0.00 175.52 176.59 3ag4 h GLY 317 N 1.02 0.83 -0.95 2.16 0.00 -0.38 -2.66 103.07 103.09 3ag4 h GLY 317 Ca 0.26 -1.11 0.37 0.00 0.00 0.00 0.00 47.33 46.84 3ag4 h GLY 317 CO -0.05 0.99 0.55 -0.62 0.00 0.00 0.00 176.54 177.42 3ag4 n VAL 318 N -4.03 -0.30 -0.02 4.60 0.31 -1.02 -0.51 118.33 117.36 3ag4 n VAL 318 Ca -0.07 1.64 -0.16 0.00 -0.01 0.00 0.00 64.34 65.74 3ag4 n VAL 318 Cb 0.68 -2.67 -0.12 0.00 -0.91 0.00 0.00 33.84 30.82 3ag4 n VAL 318 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3ag4 h LYS 319 N 0.00 0.16 0.14 5.55 1.57 -1.45 -0.87 116.57 121.68 3ag4 h LYS 319 Ca 0.72 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 59.29 3ag4 h LYS 319 Cb 2.06 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.42 3ag4 h LYS 319 CO -0.56 1.01 -0.15 0.28 -0.57 0.00 0.00 179.45 179.46 3ag4 h VAL 320 N -0.59 0.66 0.00 0.50 2.07 -1.15 -0.53 116.25 117.21 3ag4 h VAL 320 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3ag4 h VAL 320 Cb 1.15 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ag4 h VAL 320 CO 0.06 0.00 -0.13 -0.26 0.02 0.00 0.00 177.57 177.26 3ag4 h PHE 321 N -0.33 0.00 0.00 1.57 0.05 -0.89 -1.43 116.94 115.91 3ag4 h PHE 321 Ca 0.01 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.67 3ag4 h PHE 321 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.25 3ag4 h PHE 321 CO -0.14 0.13 -0.60 0.77 -0.18 0.00 0.00 178.31 178.30 3ag4 h SER 322 N 0.00 0.00 -0.27 2.17 0.02 -0.31 0.55 113.55 115.71 3ag4 h SER 322 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3ag4 h SER 322 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3ag4 h SER 322 CO 0.02 0.60 -0.36 -0.50 -1.14 0.00 0.00 176.83 175.44 3ag4 h TRP 323 N 0.00 0.88 -0.69 3.45 6.55 -0.66 -1.37 115.95 124.12 3ag4 h TRP 323 Ca -0.01 -0.29 0.00 0.00 0.95 0.00 0.00 58.89 59.55 3ag4 h TRP 323 Cb 1.32 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 29.41 3ag4 h TRP 323 CO 0.00 1.06 0.44 -0.07 -1.05 0.00 0.00 178.44 178.82 3ag4 h LEU 324 N 0.46 0.81 -1.78 -4.49 3.38 -0.85 -2.13 115.31 110.70 3ag4 h LEU 324 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ag4 h LEU 324 Cb 0.95 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ag4 h LEU 324 CO 0.09 0.60 -0.14 0.00 0.09 0.00 0.00 178.44 179.08 3ag4 h ALA 325 N 1.24 1.26 -0.19 1.53 0.00 -0.86 -1.53 119.26 120.71 3ag4 h ALA 325 Ca 0.25 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 3ag4 h ALA 325 Cb -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ag4 h ALA 325 CO -0.05 0.18 -0.71 1.15 0.00 0.00 0.00 179.25 179.82 3ag4 h THR 326 N 0.00 1.28 -0.12 0.00 2.02 -0.80 -3.15 112.91 112.14 3ag4 h THR 326 Ca -0.00 -1.91 -0.09 0.00 0.77 0.00 0.00 66.41 65.19 3ag4 h THR 326 Cb 0.40 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3ag4 h THR 326 CO 0.02 0.61 -0.31 -0.07 0.37 0.00 0.00 175.52 176.14 3ag4 h LEU 327 N 0.57 0.23 -8.95 2.58 3.38 -0.68 -3.41 115.31 109.03 3ag4 h LEU 327 Ca -0.03 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.24 3ag4 h LEU 327 Cb 1.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ag4 h LEU 327 CO 0.15 0.54 1.34 1.57 0.09 0.00 0.00 178.44 182.13 3ag4 n HIS 328 N -4.12 1.99 -0.60 1.13 -0.00 -0.67 -0.41 115.22 112.55 3ag4 n HIS 328 Ca -0.01 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.19 3ag4 n HIS 328 Cb 0.40 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 3ag4 n HIS 328 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ag4 n GLY 329 N 5.55 0.79 3.79 1.57 0.00 -1.26 -5.01 105.19 110.62 3ag4 n GLY 329 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3ag4 n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ag4 s GLY 330 N -1.65 2.03 -0.88 -0.02 0.00 0.45 -4.96 107.32 102.29 3ag4 s GLY 330 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 3ag4 s GLY 330 CO 0.00 0.72 1.14 0.21 0.00 0.00 0.00 173.10 175.17 3ag4 s ASN 331 N -2.90 6.51 -0.11 1.64 2.47 -0.73 -4.99 114.94 116.82 3ag4 s ASN 331 Ca 0.64 -1.73 -0.29 0.00 0.42 0.00 0.00 52.86 51.90 3ag4 s ASN 331 Cb -0.17 -2.43 -0.01 0.00 -1.45 0.00 0.00 41.25 37.19 3ag4 s ASN 331 CO 0.42 -1.21 0.99 -0.63 -3.72 0.00 0.00 177.10 172.95 3ag4 s ILE 332 N 3.33 4.79 -0.27 -5.21 -1.09 -1.26 -3.88 121.20 117.62 3ag4 s ILE 332 Ca 0.32 2.00 -0.09 0.00 -2.23 0.00 0.00 60.65 60.66 3ag4 s ILE 332 Cb -0.07 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 3ag4 s ILE 332 CO -0.05 0.01 0.12 -0.75 -1.23 0.00 0.00 174.94 173.04 3ag4 s LYS 333 N 2.02 3.74 -0.98 2.79 2.47 0.57 -5.01 119.74 125.33 3ag4 s LYS 333 Ca 0.47 -0.44 -0.05 0.00 -1.56 0.00 0.00 55.97 54.39 3ag4 s LYS 333 Cb -0.18 -3.48 0.05 0.00 -1.46 0.00 0.00 37.83 32.76 3ag4 s LYS 333 CO 0.17 -0.21 2.67 0.91 0.16 0.00 0.00 175.35 179.06 3ag4 n TRP 334 N 4.98 2.06 -1.72 4.03 7.02 -1.26 -4.72 117.44 127.84 3ag4 n TRP 334 Ca -0.15 -2.48 -0.31 0.00 -1.02 0.00 0.00 57.50 53.54 3ag4 n TRP 334 Cb 0.51 -1.75 0.03 0.00 -2.42 0.00 0.00 31.31 27.69 3ag4 n TRP 334 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ag4 s SER 335 N 0.70 5.71 0.23 -0.99 1.04 -1.26 -4.90 113.70 114.23 3ag4 s SER 335 Ca 0.58 1.49 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 3ag4 s SER 335 Cb 0.26 -2.43 0.35 0.00 0.10 0.00 0.00 66.02 64.29 3ag4 s SER 335 CO -0.12 -1.22 1.81 -0.65 0.98 0.00 0.00 173.24 174.04 3ag4 h PRO 336 N -0.56 0.72 -0.96 4.02 0.11 -1.92 -1.95 132.00 131.46 3ag4 h PRO 336 Ca -0.44 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3ag4 h PRO 336 Cb 1.21 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3ag4 h PRO 336 CO 0.60 0.48 0.63 0.00 -0.21 0.00 0.00 178.00 179.49 3ag4 h ALA 337 N 1.43 1.23 -0.78 -0.75 0.00 -1.91 -1.66 119.26 116.82 3ag4 h ALA 337 Ca 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3ag4 h ALA 337 Cb 0.32 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3ag4 h ALA 337 CO -0.23 0.56 0.43 1.98 0.00 0.00 0.00 179.25 181.99 3ag4 h MET 338 N 1.26 1.09 -0.82 0.00 1.85 -1.72 -1.53 114.93 115.05 3ag4 h MET 338 Ca 0.36 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.31 3ag4 h MET 338 Cb -0.09 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 31.69 3ag4 h MET 338 CO -0.09 0.80 0.45 0.52 -0.40 0.00 0.00 176.91 178.19 3ag4 h MET 339 N 1.08 1.15 -0.66 0.39 2.86 -0.65 -0.42 114.93 118.67 3ag4 h MET 339 Ca 0.27 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3ag4 h MET 339 Cb 0.03 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3ag4 h MET 339 CO -0.04 0.84 0.26 -1.49 1.06 0.00 0.00 176.91 177.54 3ag4 h TRP 340 N 1.15 0.99 -0.11 -0.22 4.06 -0.76 -0.44 115.95 120.61 3ag4 h TRP 340 Ca 0.29 -0.06 -0.18 0.00 2.06 0.00 0.00 58.89 61.00 3ag4 h TRP 340 Cb 0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 27.88 3ag4 h TRP 340 CO 0.00 0.76 -0.68 0.00 -3.56 0.00 0.00 178.44 174.96 3ag4 h ALA 341 N 1.32 0.61 -0.32 1.49 0.00 -0.80 0.45 119.26 122.01 3ag4 h ALA 341 Ca 0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3ag4 h ALA 341 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ag4 h ALA 341 CO -0.02 0.73 -0.27 -0.07 0.00 0.00 0.00 179.25 179.63 3ag4 h LEU 342 N 0.33 0.79 -0.81 0.00 3.38 -0.54 -1.31 115.31 117.16 3ag4 h LEU 342 Ca -0.02 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3ag4 h LEU 342 Cb 1.25 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3ag4 h LEU 342 CO 0.12 1.08 0.53 1.23 0.09 0.00 0.00 178.44 181.49 3ag4 h GLY 343 N 0.52 1.17 0.15 0.83 0.00 -1.03 -2.31 103.07 102.40 3ag4 h GLY 343 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.05 3ag4 h GLY 343 CO 0.07 0.36 -0.23 -2.75 0.00 0.00 0.00 176.54 173.99 3ag4 h PHE 344 N 1.04 -0.61 -0.81 5.60 3.04 -0.75 -0.45 116.94 124.00 3ag4 h PHE 344 Ca 0.32 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.32 3ag4 h PHE 344 Cb -0.03 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 3ag4 h PHE 344 CO -0.02 -0.31 0.53 0.82 -2.02 0.00 0.00 178.31 177.31 3ag4 h ILE 345 N -0.23 1.20 -0.03 1.41 2.04 -0.96 0.20 117.51 121.15 3ag4 h ILE 345 Ca 0.14 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3ag4 h ILE 345 Cb 0.45 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ag4 h ILE 345 CO -0.39 0.20 -0.03 0.15 0.00 0.00 0.00 178.15 178.07 3ag4 h PHE 346 N 1.09 0.10 -0.60 1.37 3.57 -1.32 -1.89 116.94 119.25 3ag4 h PHE 346 Ca 0.30 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3ag4 h PHE 346 Cb -0.12 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3ag4 h PHE 346 CO -0.02 0.56 0.20 -0.07 -2.23 0.00 0.00 178.31 176.75 3ag4 h LEU 347 N -0.39 0.83 -0.51 0.59 3.38 -0.93 -1.94 115.31 116.34 3ag4 h LEU 347 Ca 0.00 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3ag4 h LEU 347 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ag4 h LEU 347 CO 0.01 0.77 -0.45 0.15 0.09 0.00 0.00 178.44 179.01 3ag4 h PHE 348 N 0.87 0.87 -0.22 1.13 3.04 -0.57 -1.60 116.94 120.47 3ag4 h PHE 348 Ca 0.20 -0.27 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 3ag4 h PHE 348 Cb 0.23 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3ag4 h PHE 348 CO 0.02 1.03 0.12 1.15 -2.02 0.00 0.00 178.31 178.61 3ag4 h THR 349 N 0.57 1.11 -0.12 4.41 2.02 -1.05 0.21 112.91 120.07 3ag4 h THR 349 Ca 0.04 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.96 3ag4 h THR 349 Cb 1.00 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3ag4 h THR 349 CO 0.09 0.11 -0.21 0.58 0.37 0.00 0.00 175.52 176.46 3ag4 h VAL 350 N 0.25 0.48 -0.42 3.16 2.07 -1.17 -0.85 116.25 119.77 3ag4 h VAL 350 Ca 0.08 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 3ag4 h VAL 350 Cb 0.07 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3ag4 h VAL 350 CO -0.01 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.60 3ag4 h GLY 351 N -0.28 0.90 1.97 2.17 0.00 -1.06 -1.59 103.07 105.19 3ag4 h GLY 351 Ca 0.10 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 3ag4 h GLY 351 CO -0.28 0.70 -0.36 -1.33 0.00 0.00 0.00 176.54 175.27 3ag4 h GLY 352 N 0.95 0.04 1.59 4.60 0.00 -0.37 -1.39 103.07 108.48 3ag4 h GLY 352 Ca 0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 3ag4 h GLY 352 CO 0.06 0.03 -0.91 1.41 0.00 0.00 0.00 176.54 177.13 3ag4 h LEU 353 N 0.03 0.48 -1.09 3.11 3.38 -0.24 -1.28 115.31 119.71 3ag4 h LEU 353 Ca 0.00 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 3ag4 h LEU 353 Cb 0.66 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3ag4 h LEU 353 CO 0.05 1.18 -0.29 0.71 0.09 0.00 0.00 178.44 180.18 3ag4 h THR 354 N 0.21 1.26 -0.67 0.22 1.35 -1.22 -1.74 112.91 112.33 3ag4 h THR 354 Ca -0.07 -1.24 0.11 0.00 -0.55 0.00 0.00 66.41 64.66 3ag4 h THR 354 Cb 1.54 1.47 -0.08 0.00 -1.73 0.00 0.00 68.15 69.35 3ag4 h THR 354 CO 0.15 0.38 0.27 1.23 -0.25 0.00 0.00 175.52 177.30 3ag4 h GLY 355 N 1.04 0.96 1.21 5.82 0.00 -0.86 -2.11 103.07 109.13 3ag4 h GLY 355 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3ag4 h GLY 355 CO 0.05 -0.02 0.23 -2.22 0.00 0.00 0.00 176.54 174.57 3ag4 h ILE 356 N 0.45 1.24 -0.63 2.60 1.08 -0.36 -0.81 117.51 121.08 3ag4 h ILE 356 Ca 0.34 -0.80 0.07 0.00 -0.39 0.00 0.00 64.86 64.08 3ag4 h ILE 356 Cb 0.44 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 3ag4 h ILE 356 CO -0.32 0.31 0.32 0.58 -0.69 0.00 0.00 178.15 178.35 3ag4 h VAL 357 N 0.97 0.91 0.00 1.67 2.07 -0.94 -2.64 116.25 118.29 3ag4 h VAL 357 Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ag4 h VAL 357 Cb 0.24 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3ag4 h VAL 357 CO -0.01 0.11 -0.10 -0.07 0.02 0.00 0.00 177.57 177.51 3ag4 h LEU 358 N 0.58 0.00 -1.34 2.57 3.38 -0.59 -3.01 115.31 116.90 3ag4 h LEU 358 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3ag4 h LEU 358 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ag4 h LEU 358 CO -0.22 0.10 -0.32 0.00 0.09 0.00 0.00 178.44 178.09 3ag4 h ALA 359 N 1.90 1.34 -1.49 1.53 0.00 -0.81 -3.39 119.26 118.35 3ag4 h ALA 359 Ca -0.00 -0.29 -0.50 0.00 0.00 0.00 0.00 54.91 54.11 3ag4 h ALA 359 Cb 0.52 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3ag4 h ALA 359 CO 0.01 0.40 1.33 -0.80 0.00 0.00 0.00 179.25 180.19 3ag4 s ASN 360 N -6.76 5.37 0.41 0.00 0.01 -1.14 -4.50 114.94 108.33 3ag4 s ASN 360 Ca -0.03 0.29 0.11 0.00 -0.71 0.00 0.00 52.86 52.53 3ag4 s ASN 360 Cb 0.14 -2.53 0.93 0.00 0.41 0.00 0.00 41.25 40.20 3ag4 s ASN 360 CO 0.70 -2.31 1.97 0.77 -1.51 0.00 0.00 177.10 176.72 3ag4 h SER 361 N 14.46 0.47 -0.80 -1.22 4.64 -1.88 0.91 113.55 130.12 3ag4 h SER 361 Ca -0.26 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ag4 h SER 361 Cb 1.15 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 3ag4 h SER 361 CO 1.22 0.29 0.51 0.28 -0.87 0.00 0.00 176.83 178.25 3ag4 h SER 362 N 0.52 0.94 0.88 4.97 0.02 -1.92 -1.05 113.55 117.90 3ag4 h SER 362 Ca 0.29 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.04 3ag4 h SER 362 Cb 0.44 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3ag4 h SER 362 CO -0.09 0.70 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.50 3ag4 h LEU 363 N 1.09 0.00 -1.59 5.07 3.38 -1.46 -3.20 115.31 118.60 3ag4 h LEU 363 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 3ag4 h LEU 363 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ag4 h LEU 363 CO -0.06 0.73 -0.22 -0.78 0.09 0.00 0.00 178.44 178.20 3ag4 h ASP 364 N 0.00 0.00 -0.74 -0.43 1.82 -0.12 -1.14 116.42 115.81 3ag4 h ASP 364 Ca -0.01 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.74 3ag4 h ASP 364 Cb 1.36 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.30 3ag4 h ASP 364 CO 0.09 0.22 0.35 0.40 -1.61 0.00 0.00 179.24 178.69 3ag4 h ILE 365 N 0.00 0.79 0.00 2.25 1.08 -1.21 0.61 117.51 121.03 3ag4 h ILE 365 Ca -0.00 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3ag4 h ILE 365 Cb 0.48 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 3ag4 h ILE 365 CO 0.03 0.10 -0.44 0.58 -0.69 0.00 0.00 178.15 177.73 3ag4 h VAL 366 N 0.57 0.01 0.00 1.67 2.07 -1.40 -3.33 116.25 115.85 3ag4 h VAL 366 Ca 0.38 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3ag4 h VAL 366 Cb 0.46 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ag4 h VAL 366 CO -0.31 0.01 -1.22 0.18 0.02 0.00 0.00 177.57 176.25 3ag4 n LEU 367 N -2.92 0.62 -4.77 2.57 4.77 -0.61 -4.89 117.00 111.78 3ag4 n LEU 367 Ca 0.02 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.41 3ag4 n LEU 367 Cb 0.54 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ag4 n LEU 367 CO 0.37 0.12 0.96 -2.28 -1.33 0.00 0.00 177.39 175.23 3ag4 s HIS 368 N -3.18 2.74 -1.66 -1.77 2.46 0.20 -2.41 115.29 111.66 3ag4 s HIS 368 Ca 0.03 1.40 -0.01 0.00 0.47 0.00 0.00 55.06 56.95 3ag4 s HIS 368 Cb 0.15 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.92 3ag4 s HIS 368 CO 0.85 -2.20 0.09 -0.25 -2.47 0.00 0.00 174.74 170.75 3ag4 n ASP 369 N -0.06 -5.68 -4.41 9.88 9.92 -1.26 -4.99 116.55 119.95 3ag4 n ASP 369 Ca 0.05 -0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 54.06 3ag4 n ASP 369 Cb 0.44 -4.71 -0.10 0.00 -0.64 0.00 0.00 41.12 36.10 3ag4 n ASP 369 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ag4 s THR 370 N -3.01 1.08 -0.76 -3.53 -4.23 -1.01 -1.72 115.64 102.46 3ag4 s THR 370 Ca 0.04 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.66 3ag4 s THR 370 Cb -0.02 -2.74 0.10 0.00 1.34 0.00 0.00 72.50 71.18 3ag4 s THR 370 CO 0.06 0.00 1.33 -1.22 -0.54 0.00 0.00 174.62 174.25 3ag4 n TYR 371 N -0.68 0.26 -0.14 3.99 4.01 -0.82 -2.13 117.16 121.64 3ag4 n TYR 371 Ca -0.02 0.12 -0.04 0.00 -0.16 0.00 0.00 57.90 57.80 3ag4 n TYR 371 Cb 0.66 -0.70 0.16 0.00 -0.31 0.00 0.00 39.34 39.16 3ag4 n TYR 371 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ag4 h TYR 372 N 0.00 0.90 -0.41 -0.72 5.03 -1.81 0.17 116.97 120.12 3ag4 h TYR 372 Ca 0.00 -0.10 -0.15 0.00 2.58 0.00 0.00 58.73 61.06 3ag4 h TYR 372 Cb 0.10 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 3ag4 h TYR 372 CO 0.00 0.77 -0.31 0.28 -1.32 0.00 0.00 178.16 177.58 3ag4 h VAL 373 N 0.82 1.27 -0.46 1.81 2.07 -1.63 -1.29 116.25 118.85 3ag4 h VAL 373 Ca 0.17 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 3ag4 h VAL 373 Cb 0.36 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ag4 h VAL 373 CO 0.01 0.50 0.04 0.58 0.02 0.00 0.00 177.57 178.72 3ag4 h VAL 374 N 0.77 1.22 0.08 2.57 2.07 -1.53 -1.80 116.25 119.63 3ag4 h VAL 374 Ca 0.08 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ag4 h VAL 374 Cb 0.89 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ag4 h VAL 374 CO 0.08 0.31 -0.04 0.00 0.02 0.00 0.00 177.57 177.95 3ag4 h ALA 375 N 1.36 -0.10 -0.94 1.67 0.00 -0.83 -0.46 119.26 119.96 3ag4 h ALA 375 Ca 0.14 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ag4 h ALA 375 Cb 0.37 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3ag4 h ALA 375 CO 0.01 -0.30 -0.58 1.25 0.00 0.00 0.00 179.25 179.62 3ag4 h HIS 376 N -0.61 -1.86 0.00 0.00 6.17 -1.07 -2.45 115.15 115.33 3ag4 h HIS 376 Ca -0.01 0.12 -0.07 0.00 0.71 0.00 0.00 60.37 61.13 3ag4 h HIS 376 Cb 0.51 0.93 -0.01 0.00 2.52 0.00 0.00 27.41 31.36 3ag4 h HIS 376 CO 0.09 -0.38 -0.41 0.27 0.71 0.00 0.00 177.93 178.20 3ag4 h PHE 377 N -0.04 0.00 0.00 5.26 -0.00 -1.21 -1.02 116.94 119.92 3ag4 h PHE 377 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 58.07 3ag4 h PHE 377 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 3ag4 h PHE 377 CO -0.99 0.30 -0.26 0.45 -0.00 0.00 0.00 178.31 177.80 3ag4 h HIS 378 N 0.00 0.00 0.30 6.09 3.86 -0.97 0.95 115.15 125.38 3ag4 h HIS 378 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3ag4 h HIS 378 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3ag4 h HIS 378 CO 0.00 0.26 -0.14 1.88 0.86 0.00 0.00 177.93 180.79 3ag4 h TYR 379 N 0.00 -0.37 0.11 2.45 -1.99 -1.21 0.26 116.97 116.21 3ag4 h TYR 379 Ca -0.00 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.45 3ag4 h TYR 379 Cb 0.69 0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.55 3ag4 h TYR 379 CO 0.00 -0.18 -1.19 -0.39 -0.00 0.00 0.00 178.16 176.39 3ag4 h VAL 380 N -1.09 1.49 0.00 -2.88 -1.51 -1.22 -2.34 116.25 108.70 3ag4 h VAL 380 Ca -0.04 -2.99 0.00 0.00 -1.23 0.00 0.00 66.70 62.44 3ag4 h VAL 380 Cb 0.36 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 3ag4 h VAL 380 CO 0.07 0.87 -0.12 -0.11 -1.23 0.00 0.00 177.57 177.05 3ag4 n LEU 381 N -3.56 0.23 0.00 4.19 7.94 0.10 -4.09 117.00 121.81 3ag4 n LEU 381 Ca -0.08 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3ag4 n LEU 381 Cb 0.99 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 44.42 3ag4 n LEU 381 CO 0.53 -0.47 0.47 -1.20 -1.11 0.00 0.00 177.39 175.61 3ag4 n SER 382 N -2.73 0.00 -0.28 1.96 7.64 0.09 -0.66 113.62 119.65 3ag4 n SER 382 Ca -0.02 0.94 -0.03 0.00 1.01 0.00 0.00 58.87 60.77 3ag4 n SER 382 Cb 0.06 -0.44 0.08 0.00 -1.01 0.00 0.00 64.21 62.90 3ag4 n SER 382 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3ag4 h MET 383 N 0.00 0.95 -0.04 1.43 2.86 -0.60 -1.69 114.93 117.84 3ag4 h MET 383 Ca 0.00 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3ag4 h MET 383 Cb 0.00 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.39 3ag4 h MET 383 CO 0.00 0.63 -0.41 0.78 1.06 0.00 0.00 176.91 178.97 3ag4 h GLY 384 N 0.98 -0.73 0.98 8.32 0.00 -1.47 0.27 103.07 111.42 3ag4 h GLY 384 Ca 0.30 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 48.12 3ag4 h GLY 384 CO -0.10 -0.24 0.25 0.00 0.00 0.00 0.00 176.54 176.46 3ag4 h ALA 385 N 0.04 0.57 -0.38 3.60 0.00 -0.82 -1.17 119.26 121.08 3ag4 h ALA 385 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 385 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ag4 h ALA 385 CO -0.34 0.08 0.14 0.28 0.00 0.00 0.00 179.25 179.41 3ag4 h VAL 386 N 0.58 1.20 -0.32 0.00 2.07 -1.23 0.01 116.25 118.56 3ag4 h VAL 386 Ca 0.16 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3ag4 h VAL 386 Cb 0.03 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3ag4 h VAL 386 CO -0.03 0.23 0.04 -0.26 0.02 0.00 0.00 177.57 177.57 3ag4 h PHE 387 N 0.47 0.58 -0.52 1.57 0.04 -0.33 0.91 116.94 119.66 3ag4 h PHE 387 Ca 0.13 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3ag4 h PHE 387 Cb 0.22 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 3ag4 h PHE 387 CO 0.00 0.63 0.30 0.00 -0.60 0.00 0.00 178.31 178.64 3ag4 h ALA 388 N 0.88 0.67 -0.60 2.45 0.00 -1.10 -0.09 119.26 121.47 3ag4 h ALA 388 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ag4 h ALA 388 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3ag4 h ALA 388 CO 0.01 0.00 0.39 0.82 0.00 0.00 0.00 179.25 180.47 3ag4 h ILE 389 N 0.60 1.13 -0.41 0.00 2.04 -0.80 0.20 117.51 120.27 3ag4 h ILE 389 Ca 0.21 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3ag4 h ILE 389 Cb 0.04 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3ag4 h ILE 389 CO -0.10 0.14 -0.27 0.24 0.00 0.00 0.00 178.15 178.16 3ag4 h MET 390 N 0.79 0.88 0.50 2.37 2.86 -0.69 0.55 114.93 122.19 3ag4 h MET 390 Ca 0.23 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3ag4 h MET 390 Cb -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3ag4 h MET 390 CO -0.06 1.04 -0.33 0.78 1.06 0.00 0.00 176.91 179.39 3ag4 h GLY 391 N 0.90 -0.87 0.54 8.32 0.00 -0.78 0.28 103.07 111.47 3ag4 h GLY 391 Ca 0.09 0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.89 3ag4 h GLY 391 CO 0.07 -0.32 0.51 -1.33 0.00 0.00 0.00 176.54 175.48 3ag4 h GLY 392 N -0.81 1.36 0.69 4.60 0.00 -0.47 0.11 103.07 108.55 3ag4 h GLY 392 Ca -0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3ag4 h GLY 392 CO 0.04 0.16 -0.19 -2.75 0.00 0.00 0.00 176.54 173.80 3ag4 h PHE 393 N 0.86 0.39 -0.65 5.60 3.57 -0.35 0.38 116.94 126.74 3ag4 h PHE 393 Ca 0.41 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 3ag4 h PHE 393 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3ag4 h PHE 393 CO -0.05 0.79 0.07 -0.39 -2.23 0.00 0.00 178.31 176.50 3ag4 h VAL 394 N -0.12 1.27 -0.55 1.41 -1.51 -0.77 0.24 116.25 116.21 3ag4 h VAL 394 Ca 0.01 -1.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.34 3ag4 h VAL 394 Cb 0.76 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 3ag4 h VAL 394 CO 0.04 0.41 0.18 -0.74 -1.23 0.00 0.00 177.57 176.23 3ag4 h HIS 395 N 1.02 0.86 -0.16 5.19 -0.00 -0.80 -3.28 115.15 117.99 3ag4 h HIS 395 Ca 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3ag4 h HIS 395 Cb 0.49 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3ag4 h HIS 395 CO 0.04 0.73 0.00 0.91 -0.00 0.00 0.00 177.93 179.60 3ag4 n TRP 396 N -4.47 0.20 -0.22 5.26 8.01 0.11 -4.40 117.44 121.92 3ag4 n TRP 396 Ca 0.02 -0.15 0.02 0.00 -1.31 0.00 0.00 57.50 56.09 3ag4 n TRP 396 Cb 0.19 -0.00 0.13 0.00 -2.01 0.00 0.00 31.31 29.62 3ag4 n TRP 396 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3ag4 h PHE 397 N 3.09 0.35 0.00 -5.99 3.04 -0.59 -0.86 116.94 115.98 3ag4 h PHE 397 Ca 0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 3ag4 h PHE 397 Cb 0.72 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 3ag4 h PHE 397 CO 0.10 0.03 -0.25 -1.35 -2.02 0.00 0.00 178.31 174.82 3ag4 h PRO 398 N 0.36 0.00 -0.14 6.41 0.11 -1.77 -0.42 132.00 136.55 3ag4 h PRO 398 Ca 0.35 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 3ag4 h PRO 398 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3ag4 h PRO 398 CO -0.38 0.25 -0.02 1.25 -0.21 0.00 0.00 178.00 178.89 3ag4 h LEU 399 N 0.00 0.26 -0.52 2.35 5.85 -1.49 0.44 115.31 122.20 3ag4 h LEU 399 Ca -0.00 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.22 3ag4 h LEU 399 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3ag4 h LEU 399 CO 0.03 0.54 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.96 3ag4 h PHE 400 N -0.04 0.84 0.00 1.25 0.04 -1.12 -3.34 116.94 114.57 3ag4 h PHE 400 Ca 0.04 -0.27 -0.25 0.00 2.80 0.00 0.00 57.97 60.29 3ag4 h PHE 400 Cb 0.42 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3ag4 h PHE 400 CO 0.05 1.02 -2.14 -1.13 -0.60 0.00 0.00 178.31 175.50 3ag4 n SER 401 N -4.01 0.59 0.00 2.17 3.41 -0.18 -4.71 113.62 110.88 3ag4 n SER 401 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ag4 n SER 401 Cb 0.56 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 3ag4 n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 402 N 1.78 0.72 3.48 5.00 0.00 0.16 -4.54 105.19 111.78 3ag4 n GLY 402 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3ag4 n GLY 402 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag4 s TYR 403 N -2.51 2.32 0.10 1.61 2.02 -1.25 -1.84 117.35 117.81 3ag4 s TYR 403 Ca 0.00 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3ag4 s TYR 403 Cb 0.00 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 3ag4 s TYR 403 CO 0.00 0.68 0.18 0.95 -1.57 0.00 0.00 175.55 175.79 3ag4 s THR 404 N -2.36 4.98 0.68 -0.71 -4.23 -0.51 -3.68 115.64 109.82 3ag4 s THR 404 Ca 0.29 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 3ag4 s THR 404 Cb -0.06 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.34 3ag4 s THR 404 CO 0.15 0.04 1.02 -0.76 -0.54 0.00 0.00 174.62 174.53 3ag4 s LEU 405 N -2.75 2.96 -0.30 4.79 1.43 -1.26 -4.63 118.68 118.91 3ag4 s LEU 405 Ca 0.33 0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 54.02 3ag4 s LEU 405 Cb -0.12 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 3ag4 s LEU 405 CO 0.26 -1.36 0.72 0.21 0.23 0.00 0.00 176.35 176.41 3ag4 s ASN 406 N -4.40 6.60 0.32 2.29 3.84 -1.26 -4.91 114.94 117.42 3ag4 s ASN 406 Ca 0.57 0.60 0.03 0.00 0.21 0.00 0.00 52.86 54.27 3ag4 s ASN 406 Cb -0.11 -2.37 0.54 0.00 -0.55 0.00 0.00 41.25 38.76 3ag4 s ASN 406 CO 0.48 -0.54 1.84 0.44 -2.79 0.00 0.00 177.10 176.53 3ag4 h ASP 407 N 8.10 0.54 -0.09 -4.21 3.45 -1.99 -1.79 116.42 120.43 3ag4 h ASP 407 Ca -0.25 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 3ag4 h ASP 407 Cb 1.11 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3ag4 h ASP 407 CO 0.84 0.62 0.03 0.74 -1.57 0.00 0.00 179.24 179.91 3ag4 h THR 408 N 0.54 1.16 -1.01 0.35 2.02 -2.00 -0.77 112.91 113.20 3ag4 h THR 408 Ca 0.11 -0.48 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3ag4 h THR 408 Cb 0.38 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 3ag4 h THR 408 CO 0.01 0.14 0.65 -0.50 0.37 0.00 0.00 175.52 176.19 3ag4 h TRP 409 N -0.03 1.20 -0.23 3.16 -0.00 -1.95 -1.06 115.95 117.05 3ag4 h TRP 409 Ca 0.03 0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.83 3ag4 h TRP 409 Cb 0.19 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.16 28.95 3ag4 h TRP 409 CO -0.01 0.61 -0.38 0.00 -0.00 0.00 0.00 178.44 178.66 3ag4 h ALA 410 N 1.46 0.93 -0.47 1.49 0.00 -1.15 0.39 119.26 121.91 3ag4 h ALA 410 Ca 0.44 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ag4 h ALA 410 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ag4 h ALA 410 CO -0.18 0.62 0.26 0.87 0.00 0.00 0.00 179.25 180.82 3ag4 h LYS 411 N 0.43 0.66 -0.02 0.00 1.57 -0.41 -1.41 116.57 117.38 3ag4 h LYS 411 Ca 0.04 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ag4 h LYS 411 Cb 0.85 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3ag4 h LYS 411 CO 0.07 0.52 -0.17 0.82 -0.57 0.00 0.00 179.45 180.12 3ag4 h ILE 412 N 0.62 0.58 -0.43 1.86 2.04 -0.92 -1.44 117.51 119.81 3ag4 h ILE 412 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 3ag4 h ILE 412 Cb 0.06 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 3ag4 h ILE 412 CO -0.03 0.00 0.02 -0.74 0.00 0.00 0.00 178.15 177.41 3ag4 h HIS 413 N -0.27 0.02 -0.34 1.37 2.76 -0.85 -1.94 115.15 115.89 3ag4 h HIS 413 Ca 0.06 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3ag4 h HIS 413 Cb 0.35 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 3ag4 h HIS 413 CO -0.23 -0.07 0.08 0.35 -1.30 0.00 0.00 177.93 176.76 3ag4 h PHE 414 N 0.13 0.13 -0.13 5.26 3.57 -0.89 -1.78 116.94 123.24 3ag4 h PHE 414 Ca 0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3ag4 h PHE 414 Cb 0.30 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3ag4 h PHE 414 CO -0.26 0.03 0.06 0.00 -2.23 0.00 0.00 178.31 175.91 3ag4 h ALA 415 N 1.25 0.15 -0.62 2.41 0.00 -0.61 0.63 119.26 122.47 3ag4 h ALA 415 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ag4 h ALA 415 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3ag4 h ALA 415 CO -0.20 -0.38 0.39 0.82 0.00 0.00 0.00 179.25 179.88 3ag4 h ILE 416 N 0.13 1.11 -0.48 0.00 2.04 -1.26 -2.11 117.51 116.94 3ag4 h ILE 416 Ca 0.05 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3ag4 h ILE 416 Cb 0.01 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3ag4 h ILE 416 CO -0.03 0.14 0.05 -0.03 0.00 0.00 0.00 178.15 178.28 3ag4 h MET 417 N 0.78 0.82 -0.53 2.37 4.05 -0.87 0.78 114.93 122.34 3ag4 h MET 417 Ca 0.24 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3ag4 h MET 417 Cb -0.02 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 3ag4 h MET 417 CO -0.08 0.84 0.20 0.35 0.23 0.00 0.00 176.91 178.45 3ag4 h PHE 418 N 0.69 0.81 -0.36 1.39 3.57 -0.56 -0.19 116.94 122.29 3ag4 h PHE 418 Ca 0.14 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3ag4 h PHE 418 Cb 0.43 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3ag4 h PHE 418 CO 0.03 0.67 0.16 0.28 -2.23 0.00 0.00 178.31 177.22 3ag4 h VAL 419 N 0.71 1.18 0.22 1.41 2.07 -1.17 -2.82 116.25 117.85 3ag4 h VAL 419 Ca 0.17 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3ag4 h VAL 419 Cb 0.21 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3ag4 h VAL 419 CO -0.01 0.19 -0.10 1.23 0.02 0.00 0.00 177.57 178.89 3ag4 h GLY 420 N 0.43 -0.30 1.52 2.17 0.00 -0.19 -0.53 103.07 106.17 3ag4 h GLY 420 Ca 0.12 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 3ag4 h GLY 420 CO -0.01 -0.11 -0.17 -0.39 0.00 0.00 0.00 176.54 175.86 3ag4 h VAL 421 N -0.38 1.25 -0.33 4.60 -1.51 -1.12 0.34 116.25 119.10 3ag4 h VAL 421 Ca -0.03 -1.15 -0.15 0.00 -1.23 0.00 0.00 66.70 64.13 3ag4 h VAL 421 Cb 0.29 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 3ag4 h VAL 421 CO 0.05 0.38 -0.40 0.78 -1.23 0.00 0.00 177.57 177.15 3ag4 h ASN 422 N 0.52 0.92 0.13 4.19 2.35 -1.34 -0.71 115.58 121.64 3ag4 h ASN 422 Ca 0.09 -0.49 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 3ag4 h ASN 422 Cb 0.58 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 3ag4 h ASN 422 CO 0.04 1.22 -0.11 -0.03 -1.65 0.00 0.00 177.43 176.91 3ag4 h MET 423 N 0.64 0.00 0.03 0.81 4.05 -0.69 -1.12 114.93 118.65 3ag4 h MET 423 Ca 0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3ag4 h MET 423 Cb 0.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 3ag4 h MET 423 CO 0.10 0.11 -0.01 1.15 0.23 0.00 0.00 176.91 178.48 3ag4 h THR 424 N 0.00 1.38 0.00 -0.77 2.02 -0.64 -3.36 112.91 111.54 3ag4 h THR 424 Ca -0.00 -1.77 -0.20 0.00 0.77 0.00 0.00 66.41 65.21 3ag4 h THR 424 Cb 0.21 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 3ag4 h THR 424 CO 0.01 0.42 -2.20 0.49 0.37 0.00 0.00 175.52 174.61 3ag4 n PHE 425 N -4.73 0.00 -0.18 3.16 3.01 -0.30 -4.42 117.46 114.01 3ag4 n PHE 425 Ca -0.08 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.36 3ag4 n PHE 425 Cb 0.35 -0.77 0.08 0.00 -0.01 0.00 0.00 39.48 39.14 3ag4 n PHE 425 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3ag4 h PHE 426 N 0.00 0.29 0.00 1.38 3.57 -1.40 -1.66 116.94 119.12 3ag4 h PHE 426 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3ag4 h PHE 426 Cb 1.67 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.36 3ag4 h PHE 426 CO 0.00 0.07 0.00 -1.35 -2.23 0.00 0.00 178.31 174.80 3ag4 h PRO 427 N 0.34 0.00 0.00 6.41 0.11 -1.78 -2.20 132.00 134.88 3ag4 h PRO 427 Ca 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3ag4 h PRO 427 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3ag4 h PRO 427 CO -0.29 0.00 -0.11 1.96 -0.21 0.00 0.00 178.00 179.34 3ag4 h GLN 428 N 0.00 0.00 -0.74 1.05 4.20 -1.53 -1.77 115.11 116.32 3ag4 h GLN 428 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3ag4 h GLN 428 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3ag4 h GLN 428 CO 0.00 0.11 0.45 0.45 -0.67 0.00 0.00 178.83 179.17 3ag4 h HIS 429 N 0.00 0.83 -0.38 2.96 3.86 -1.51 -1.02 115.15 119.88 3ag4 h HIS 429 Ca -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 3ag4 h HIS 429 Cb 0.77 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3ag4 h HIS 429 CO 0.00 0.43 0.06 0.74 0.86 0.00 0.00 177.93 180.02 3ag4 h PHE 430 N 0.84 0.68 -0.73 2.45 0.04 -1.51 -0.26 116.94 118.46 3ag4 h PHE 430 Ca 0.31 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 61.01 3ag4 h PHE 430 Cb 0.12 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3ag4 h PHE 430 CO -0.05 0.69 0.46 -0.07 -0.60 0.00 0.00 178.31 178.74 3ag4 h LEU 431 N 0.48 0.76 -0.17 1.54 3.38 -1.39 -0.63 115.31 119.29 3ag4 h LEU 431 Ca 0.12 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3ag4 h LEU 431 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ag4 h LEU 431 CO 0.01 0.53 -0.49 1.23 0.09 0.00 0.00 178.44 179.81 3ag4 h GLY 432 N 0.91 0.70 1.02 0.83 0.00 -0.87 0.19 103.07 105.84 3ag4 h GLY 432 Ca 0.29 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3ag4 h GLY 432 CO -0.10 0.79 0.54 1.41 0.00 0.00 0.00 176.54 179.18 3ag4 h LEU 433 N 0.31 1.07 0.00 3.11 3.38 -0.98 -0.92 115.31 121.28 3ag4 h LEU 433 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ag4 h LEU 433 Cb 1.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ag4 h LEU 433 CO 0.10 0.83 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 3ag4 n SER 434 N -4.39 0.00 0.00 -0.43 3.41 -0.25 -4.91 113.62 107.05 3ag4 n SER 434 Ca 0.10 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3ag4 n SER 434 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3ag4 n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 435 N 0.72 1.03 3.67 5.00 0.00 -0.35 -5.05 105.19 110.21 3ag4 n GLY 435 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ag4 n GLY 435 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ag4 s MET 436 N -0.83 4.23 0.78 1.61 0.00 0.60 -5.00 119.30 120.70 3ag4 s MET 436 Ca 0.00 1.97 -0.12 0.00 0.00 0.00 0.00 55.69 57.55 3ag4 s MET 436 Cb 0.00 -3.76 0.07 0.00 0.00 0.00 0.00 34.83 31.13 3ag4 s MET 436 CO 0.00 -0.70 1.12 -2.14 0.00 0.00 0.00 175.02 173.30 3ag4 s PRO 437 N 3.24 2.06 0.77 4.11 0.02 -1.26 -1.95 135.00 141.99 3ag4 s PRO 437 Ca 0.65 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 3ag4 s PRO 437 Cb -0.30 -1.86 0.10 0.00 0.02 0.00 0.00 34.50 32.47 3ag4 s PRO 437 CO 0.25 -1.82 1.10 1.03 -0.33 0.00 0.00 177.00 177.22 3ag4 s ARG 438 N -4.60 1.75 -1.61 5.54 0.52 -0.70 -4.34 118.95 115.51 3ag4 s ARG 438 Ca 0.65 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 3ag4 s ARG 438 Cb -0.20 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.17 3ag4 s ARG 438 CO 0.53 -1.57 0.00 0.54 0.02 0.00 0.00 175.30 174.82 3ag4 n ARG 439 N -3.13 -1.29 -4.41 3.54 1.74 -1.26 -4.92 116.66 106.92 3ag4 n ARG 439 Ca 0.11 0.94 -0.35 0.00 -0.77 0.00 0.00 57.85 57.79 3ag4 n ARG 439 Cb 0.60 -5.30 -0.10 0.00 -1.02 0.00 0.00 32.46 26.65 3ag4 n ARG 439 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ag4 s TYR 440 N -2.76 3.11 -0.90 -1.55 4.12 -1.26 -5.00 117.35 113.11 3ag4 s TYR 440 Ca 0.00 0.13 0.25 0.00 0.02 0.00 0.00 57.07 57.47 3ag4 s TYR 440 Cb 0.00 -1.79 0.58 0.00 -1.52 0.00 0.00 41.96 39.22 3ag4 s TYR 440 CO 0.00 0.40 1.47 -1.13 0.02 0.00 0.00 175.55 176.31 3ag4 n SER 441 N 2.28 0.48 -3.66 2.29 3.41 -1.26 -4.94 113.62 112.22 3ag4 n SER 441 Ca -0.18 -0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.34 3ag4 n SER 441 Cb 0.53 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3ag4 n SER 441 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag4 s ASP 442 N -3.34 -0.26 0.02 4.04 3.68 -1.26 -4.61 116.67 114.94 3ag4 s ASP 442 Ca 0.10 -0.26 -0.07 0.00 2.13 0.00 0.00 52.55 54.45 3ag4 s ASP 442 Cb 0.17 0.47 -0.00 0.00 -1.45 0.00 0.00 42.92 42.10 3ag4 s ASP 442 CO 0.68 -0.83 0.13 -0.72 0.13 0.00 0.00 175.17 174.56 3ag4 s TYR 443 N -3.27 0.09 0.55 -5.34 -0.85 -1.26 -5.06 117.35 102.21 3ag4 s TYR 443 Ca 0.09 -0.26 -0.20 0.00 -0.52 0.00 0.00 57.07 56.18 3ag4 s TYR 443 Cb -0.01 -0.08 -0.06 0.00 0.38 0.00 0.00 41.96 42.19 3ag4 s TYR 443 CO -0.02 -0.32 1.00 -2.30 -1.52 0.00 0.00 175.55 172.39 3ag4 n PRO 444 N 1.19 1.09 0.20 -3.49 -0.02 -1.26 -4.86 135.00 127.86 3ag4 n PRO 444 Ca -0.21 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 3ag4 n PRO 444 Cb 0.57 -2.16 0.59 0.00 -0.02 0.00 0.00 33.50 32.47 3ag4 n PRO 444 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ag4 h ASP 445 N 0.86 0.10 -0.81 2.55 3.45 -2.03 -2.03 116.42 118.51 3ag4 h ASP 445 Ca -0.48 -0.00 0.20 0.00 0.43 0.00 0.00 57.03 57.19 3ag4 h ASP 445 Cb 1.35 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 40.05 3ag4 h ASP 445 CO 0.53 0.08 0.56 0.00 -1.57 0.00 0.00 179.24 178.84 3ag4 h ALA 446 N 1.94 2.44 0.00 3.45 0.00 -2.05 -2.06 119.26 122.98 3ag4 h ALA 446 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ag4 h ALA 446 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ag4 h ALA 446 CO -0.01 -0.68 0.00 0.66 0.00 0.00 0.00 179.25 179.22 3ag4 n TYR 447 N -4.41 0.00 0.08 0.00 4.01 -0.76 -4.30 117.16 111.77 3ag4 n TYR 447 Ca 0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 3ag4 n TYR 447 Cb 0.74 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.70 3ag4 n TYR 447 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ag4 h THR 448 N 0.00 0.93 -0.31 -0.72 2.02 -1.56 -2.94 112.91 110.33 3ag4 h THR 448 Ca 0.00 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.23 3ag4 h THR 448 Cb 0.00 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 3ag4 h THR 448 CO 0.00 0.00 -0.24 -0.03 0.37 0.00 0.00 175.52 175.63 3ag4 h MET 449 N -0.11 -0.20 -0.17 6.66 1.85 -1.84 -1.05 114.93 120.07 3ag4 h MET 449 Ca -0.01 0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 58.95 3ag4 h MET 449 Cb 0.09 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 3ag4 h MET 449 CO 0.02 -0.14 -0.51 -1.49 -0.40 0.00 0.00 176.91 174.39 3ag4 h TRP 450 N -0.21 0.57 -0.84 1.39 -0.00 -1.88 -1.98 115.95 113.00 3ag4 h TRP 450 Ca 0.16 -0.19 0.05 0.00 -0.00 0.00 0.00 58.89 58.90 3ag4 h TRP 450 Cb 0.46 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.16 29.45 3ag4 h TRP 450 CO -0.42 0.88 0.53 -0.91 -0.00 0.00 0.00 178.44 178.51 3ag4 h ASN 451 N 0.36 0.85 0.01 -3.49 2.35 -1.32 -1.50 115.58 112.85 3ag4 h ASN 451 Ca 0.01 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ag4 h ASN 451 Cb 1.02 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3ag4 h ASN 451 CO 0.09 0.56 -0.01 0.74 -1.65 0.00 0.00 177.43 177.17 3ag4 h THR 452 N 0.99 1.14 -0.72 2.81 2.02 -0.85 -1.70 112.91 116.61 3ag4 h THR 452 Ca 0.35 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 67.12 3ag4 h THR 452 Cb 0.09 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 3ag4 h THR 452 CO -0.15 0.12 0.41 0.40 0.37 0.00 0.00 175.52 176.68 3ag4 h ILE 453 N -0.22 0.99 -0.68 3.11 2.04 -1.29 -1.73 117.51 119.74 3ag4 h ILE 453 Ca -0.00 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 3ag4 h ILE 453 Cb 0.21 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3ag4 h ILE 453 CO 0.00 0.14 0.16 -1.28 0.00 0.00 0.00 178.15 177.17 3ag4 h SER 454 N 0.76 1.03 -0.00 1.72 0.87 -1.14 -0.04 113.55 116.75 3ag4 h SER 454 Ca 0.32 -0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 3ag4 h SER 454 Cb 0.18 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3ag4 h SER 454 CO -0.18 1.00 -0.45 0.28 -0.53 0.00 0.00 176.83 176.96 3ag4 h SER 455 N 1.02 0.58 -0.28 6.23 0.02 -1.15 -2.35 113.55 117.61 3ag4 h SER 455 Ca 0.21 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3ag4 h SER 455 Cb 0.37 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3ag4 h SER 455 CO 0.00 0.95 0.03 0.24 -1.14 0.00 0.00 176.83 176.91 3ag4 h MET 456 N 0.44 0.48 -0.93 3.45 2.07 -0.72 -2.81 114.93 116.90 3ag4 h MET 456 Ca 0.03 -0.14 0.23 0.00 -2.07 0.00 0.00 59.70 57.75 3ag4 h MET 456 Cb 0.96 -0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 30.57 3ag4 h MET 456 CO 0.08 0.61 0.62 0.78 1.07 0.00 0.00 176.91 180.08 3ag4 h GLY 457 N 0.28 0.74 1.24 8.32 0.00 -0.54 -2.38 103.07 110.72 3ag4 h GLY 457 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3ag4 h GLY 457 CO 0.01 -0.03 -0.05 1.48 0.00 0.00 0.00 176.54 177.95 3ag4 h SER 458 N 0.31 0.89 -0.28 0.19 4.64 -1.18 -1.91 113.55 116.22 3ag4 h SER 458 Ca 0.48 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 3ag4 h SER 458 Cb 1.36 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3ag4 h SER 458 CO -0.16 0.98 -0.09 -0.26 -0.87 0.00 0.00 176.83 176.43 3ag4 h PHE 459 N 0.83 0.74 -0.02 4.77 0.05 -1.33 -2.16 116.94 119.82 3ag4 h PHE 459 Ca 0.14 -0.12 0.01 0.00 3.82 0.00 0.00 57.97 61.82 3ag4 h PHE 459 Cb 0.57 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 3ag4 h PHE 459 CO 0.03 0.75 -0.04 0.82 -0.18 0.00 0.00 178.31 179.70 3ag4 h ILE 460 N 0.63 0.89 -0.80 -0.55 2.04 -1.20 -1.87 117.51 116.65 3ag4 h ILE 460 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3ag4 h ILE 460 Cb 0.53 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3ag4 h ILE 460 CO 0.03 0.00 0.52 0.28 0.00 0.00 0.00 178.15 178.99 3ag4 h SER 461 N -0.06 0.79 -0.67 1.72 0.02 -1.44 -2.13 113.55 111.79 3ag4 h SER 461 Ca 0.02 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.12 3ag4 h SER 461 Cb 0.10 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 62.36 3ag4 h SER 461 CO -0.06 0.52 0.08 0.25 -1.14 0.00 0.00 176.83 176.48 3ag4 h LEU 462 N 0.90 -0.14 -0.99 5.07 5.85 -0.93 -0.91 115.31 124.16 3ag4 h LEU 462 Ca 0.34 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 3ag4 h LEU 462 Cb 0.17 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3ag4 h LEU 462 CO -0.11 -0.08 0.49 0.74 -0.34 0.00 0.00 178.44 179.14 3ag4 h THR 463 N 0.19 1.25 -0.59 1.05 2.02 -0.71 -0.95 112.91 115.15 3ag4 h THR 463 Ca 0.36 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3ag4 h THR 463 Cb 0.60 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3ag4 h THR 463 CO -0.52 0.27 0.29 0.00 0.37 0.00 0.00 175.52 175.94 3ag4 h ALA 464 N 1.33 0.77 -0.43 6.16 0.00 -0.99 -1.32 119.26 124.77 3ag4 h ALA 464 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ag4 h ALA 464 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ag4 h ALA 464 CO -0.05 0.32 0.22 0.28 0.00 0.00 0.00 179.25 180.02 3ag4 h VAL 465 N 0.81 1.17 -0.72 0.00 2.07 -0.48 0.98 116.25 120.08 3ag4 h VAL 465 Ca 0.21 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ag4 h VAL 465 Cb 0.11 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3ag4 h VAL 465 CO -0.03 0.18 0.36 0.24 0.02 0.00 0.00 177.57 178.34 3ag4 h MET 466 N 0.56 1.02 -0.35 1.57 2.86 -1.05 -2.36 114.93 117.17 3ag4 h MET 466 Ca 0.15 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3ag4 h MET 466 Cb 0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3ag4 h MET 466 CO -0.02 0.78 -0.04 1.25 1.06 0.00 0.00 176.91 179.94 3ag4 h LEU 467 N 1.01 0.65 -0.73 1.22 5.85 -0.77 -2.36 115.31 120.19 3ag4 h LEU 467 Ca 0.25 -0.33 0.16 0.00 0.84 0.00 0.00 57.88 58.80 3ag4 h LEU 467 Cb 0.09 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 40.82 3ag4 h LEU 467 CO -0.03 0.83 0.01 -0.03 -0.34 0.00 0.00 178.44 178.88 3ag4 h MET 468 N 0.45 0.11 -0.52 1.25 4.05 -0.31 0.22 114.93 120.18 3ag4 h MET 468 Ca 0.10 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3ag4 h MET 468 Cb 0.52 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 3ag4 h MET 468 CO 0.03 0.07 0.34 0.28 0.23 0.00 0.00 176.91 177.85 3ag4 h VAL 469 N 0.11 1.11 -0.42 -5.77 2.07 -1.04 -1.74 116.25 110.58 3ag4 h VAL 469 Ca 0.40 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.53 3ag4 h VAL 469 Cb 0.69 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ag4 h VAL 469 CO -0.63 0.12 -0.31 0.15 0.02 0.00 0.00 177.57 176.92 3ag4 h PHE 470 N 0.68 1.13 -0.88 1.57 3.57 -0.78 0.11 116.94 122.34 3ag4 h PHE 470 Ca 0.20 -0.31 0.09 0.00 3.53 0.00 0.00 57.97 61.48 3ag4 h PHE 470 Cb -0.05 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 3ag4 h PHE 470 CO -0.05 1.14 0.57 0.82 -2.23 0.00 0.00 178.31 178.56 3ag4 h ILE 471 N 0.79 0.98 -0.06 1.41 2.04 -0.08 0.16 117.51 122.75 3ag4 h ILE 471 Ca 0.08 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.42 3ag4 h ILE 471 Cb 0.90 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ag4 h ILE 471 CO 0.08 0.16 -0.79 0.40 0.00 0.00 0.00 178.15 178.00 3ag4 h ILE 472 N 0.88 1.32 -0.51 -0.67 2.04 -0.77 -2.09 117.51 117.72 3ag4 h ILE 472 Ca 0.40 -2.06 0.07 0.00 1.00 0.00 0.00 64.86 64.27 3ag4 h ILE 472 Cb 0.38 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 3ag4 h ILE 472 CO -0.17 0.63 0.18 -0.25 0.00 0.00 0.00 178.15 178.54 3ag4 h TRP 473 N 0.30 0.31 -0.76 1.37 7.01 0.07 -2.18 115.95 122.07 3ag4 h TRP 473 Ca -0.08 0.03 0.05 0.00 2.11 0.00 0.00 58.89 60.99 3ag4 h TRP 473 Cb 1.45 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 28.40 3ag4 h TRP 473 CO 0.11 0.09 0.50 1.49 -2.79 0.00 0.00 178.44 177.84 3ag4 h GLU 474 N 0.35 0.86 -0.14 2.65 4.22 -0.48 0.36 114.58 122.40 3ag4 h GLU 474 Ca 0.25 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.59 3ag4 h GLU 474 Cb 0.27 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ag4 h GLU 474 CO -0.26 0.57 -0.10 0.00 -2.18 0.00 0.00 179.01 177.04 3ag4 h ALA 475 N 1.57 0.20 0.00 2.92 0.00 -0.74 -0.91 119.26 122.30 3ag4 h ALA 475 Ca 0.31 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ag4 h ALA 475 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ag4 h ALA 475 CO -0.10 0.04 -0.37 0.74 0.00 0.00 0.00 179.25 179.57 3ag4 h PHE 476 N -0.04 0.00 -0.32 0.00 -1.00 -1.19 -1.93 116.94 112.46 3ag4 h PHE 476 Ca 0.03 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.65 3ag4 h PHE 476 Cb 0.60 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 3ag4 h PHE 476 CO 0.08 0.37 -0.43 0.00 -1.61 0.00 0.00 178.31 176.72 3ag4 h ALA 477 N 1.63 0.48 0.00 2.45 0.00 -0.07 -3.34 119.26 120.42 3ag4 h ALA 477 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 3ag4 h ALA 477 Cb 0.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ag4 h ALA 477 CO 0.05 0.61 -1.14 0.77 0.00 0.00 0.00 179.25 179.53 3ag4 h SER 478 N 0.63 0.00 -6.20 0.00 0.02 -1.13 -3.50 113.55 103.37 3ag4 h SER 478 Ca 0.04 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.56 3ag4 h SER 478 Cb 1.02 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.65 3ag4 h SER 478 CO 0.10 0.94 -0.93 0.29 -1.14 0.00 0.00 176.83 176.09 3ag4 n LYS 479 N -3.25 -1.49 -2.65 3.45 5.02 -0.73 -4.97 118.16 113.55 3ag4 n LYS 479 Ca -0.04 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 3ag4 n LYS 479 Cb 0.94 -4.25 -0.02 0.00 -0.02 0.00 0.00 35.03 31.68 3ag4 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ag4 s ARG 480 N -5.94 4.02 0.03 1.97 0.52 -1.26 -5.01 118.95 113.27 3ag4 s ARG 480 Ca 0.44 0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 56.53 3ag4 s ARG 480 Cb -0.15 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 3ag4 s ARG 480 CO 0.86 -0.95 0.35 -1.21 0.02 0.00 0.00 175.30 174.37 3ag4 s GLU 481 N 3.71 3.73 0.42 3.54 2.02 -1.26 -1.42 118.70 129.44 3ag4 s GLU 481 Ca 0.45 0.15 -0.25 0.00 0.02 0.00 0.00 54.97 55.34 3ag4 s GLU 481 Cb -0.12 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 3ag4 s GLU 481 CO 0.17 0.62 1.19 0.08 0.02 0.00 0.00 175.26 177.35 3ag4 s VAL 482 N -1.28 3.02 -0.06 2.63 1.01 -0.76 -4.93 120.40 120.03 3ag4 s VAL 482 Ca 0.28 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 3ag4 s VAL 482 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3ag4 s VAL 482 CO 0.16 0.06 -0.09 0.18 0.00 0.00 0.00 175.10 175.40 3ag4 n LEU 483 N -0.09 0.66 -4.04 3.92 4.77 -1.26 -4.98 117.00 115.98 3ag4 n LEU 483 Ca 0.05 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3ag4 n LEU 483 Cb 0.46 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3ag4 n LEU 483 CO 0.51 0.02 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.32 3ag4 s THR 484 N -2.15 0.28 -0.05 -5.08 2.01 -1.26 -5.09 115.64 104.31 3ag4 s THR 484 Ca -0.10 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 60.66 3ag4 s THR 484 Cb 0.03 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3ag4 s THR 484 CO 0.13 -0.60 0.11 -0.69 -0.69 0.00 0.00 174.62 172.87 3ag4 s VAL 485 N -2.10 -0.02 0.72 3.82 1.01 -1.26 -5.15 120.40 117.42 3ag4 s VAL 485 Ca -0.08 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3ag4 s VAL 485 Cb -0.05 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.20 3ag4 s VAL 485 CO -0.03 0.04 1.08 -1.81 0.00 0.00 0.00 175.10 174.38 3ag4 s ASP 486 N 0.56 5.06 -1.76 3.32 1.01 -1.26 -4.32 116.67 119.29 3ag4 s ASP 486 Ca -0.04 0.86 -0.00 0.00 0.71 0.00 0.00 52.55 54.07 3ag4 s ASP 486 Cb -0.06 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.31 3ag4 s ASP 486 CO -0.02 -1.53 0.02 0.18 0.21 0.00 0.00 175.17 174.03 3ag4 n LEU 487 N -3.04 -1.97 0.32 1.23 4.77 -1.26 -4.87 117.00 112.18 3ag4 n LEU 487 Ca 0.07 -0.03 0.21 0.00 -0.03 0.00 0.00 56.01 56.23 3ag4 n LEU 487 Cb 0.59 -2.92 1.06 0.00 -2.33 0.00 0.00 43.42 39.82 3ag4 n LEU 487 CO 0.56 -0.20 1.13 0.71 -1.33 0.00 0.00 177.39 178.26 3ag4 h THR 488 N -0.06 0.00 0.00 -5.08 1.35 -1.84 -2.63 112.91 104.65 3ag4 h THR 488 Ca -0.49 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3ag4 h THR 488 Cb 1.36 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3ag4 h THR 488 CO 0.58 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 176.56 3ag4 h THR 489 N 0.00 0.00 0.00 6.82 1.35 -1.96 -2.62 112.91 116.50 3ag4 h THR 489 Ca 0.00 -0.47 -0.04 0.00 -0.55 0.00 0.00 66.41 65.35 3ag4 h THR 489 Cb 0.15 1.44 -0.09 0.00 -1.73 0.00 0.00 68.15 67.92 3ag4 h THR 489 CO 0.00 0.00 -0.51 0.35 -0.25 0.00 0.00 175.52 175.11 3ag4 n THR 490 N -3.00 1.33 -3.11 6.82 -2.24 -1.01 -4.82 114.28 108.25 3ag4 n THR 490 Ca 0.01 -2.06 -0.19 0.00 -2.27 0.00 0.00 64.05 59.54 3ag4 n THR 490 Cb 0.29 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 3ag4 n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag4 n ASN 491 N -0.67 -1.15 -0.09 3.42 3.02 -0.99 -5.01 115.26 113.79 3ag4 n ASN 491 Ca 0.13 -2.73 0.15 0.00 -0.03 0.00 0.00 54.58 52.09 3ag4 n ASN 491 Cb 0.79 0.20 0.54 0.00 -0.61 0.00 0.00 39.78 40.70 3ag4 n ASN 491 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ag4 h LEU 492 N 4.67 0.29 -2.78 3.41 5.85 -1.88 -1.71 115.31 123.16 3ag4 h LEU 492 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ag4 h LEU 492 Cb 0.95 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3ag4 h LEU 492 CO 0.34 0.17 0.05 1.05 -0.34 0.00 0.00 178.44 179.70 3ag4 h GLU 493 N 0.32 0.00 0.00 1.25 9.09 -1.91 -0.68 114.58 122.65 3ag4 h GLU 493 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 3ag4 h GLU 493 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 3ag4 h GLU 493 CO -0.07 0.00 -0.56 0.91 0.05 0.00 0.00 179.01 179.34 3ag4 n TRP 494 N -3.19 0.05 0.42 2.06 7.02 -0.64 -4.41 117.44 118.75 3ag4 n TRP 494 Ca -0.03 0.01 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3ag4 n TRP 494 Cb 0.12 -0.27 0.29 0.00 -2.42 0.00 0.00 31.31 29.03 3ag4 n TRP 494 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3ag4 h LEU 495 N 0.00 0.00 -1.80 -0.99 5.85 -1.26 -2.58 115.31 114.53 3ag4 h LEU 495 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ag4 h LEU 495 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ag4 h LEU 495 CO 0.00 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.69 3ag4 n ASN 496 N -2.69 2.51 0.00 1.25 3.02 -1.26 -5.05 115.26 113.04 3ag4 n ASN 496 Ca 0.05 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 3ag4 n ASN 496 Cb 0.48 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3ag4 n ASN 496 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ag4 n GLY 497 N 0.24 -1.42 2.78 7.41 0.00 -0.97 -4.29 105.19 108.93 3ag4 n GLY 497 Ca 0.09 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 3ag4 n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 s PRO 499 N 1.78 3.48 0.74 0.00 0.04 -1.25 -4.27 135.00 135.51 3ag4 s PRO 499 Ca -0.01 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 3ag4 s PRO 499 Cb -0.17 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.34 3ag4 s PRO 499 CO -0.08 -0.66 1.08 -1.25 0.04 0.00 0.00 177.00 176.14 3ag4 s PRO 500 N -5.18 2.57 0.86 0.56 0.04 -1.10 -4.99 135.00 127.77 3ag4 s PRO 500 Ca 0.56 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 3ag4 s PRO 500 Cb -0.11 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.57 3ag4 s PRO 500 CO 0.54 -1.29 1.11 -2.14 0.04 0.00 0.00 177.00 175.25 3ag4 s PRO 501 N -5.17 1.47 0.24 0.56 0.02 -1.26 -4.88 135.00 125.99 3ag4 s PRO 501 Ca 0.59 1.25 -0.10 0.00 0.02 0.00 0.00 61.00 62.76 3ag4 s PRO 501 Cb -0.13 -1.80 0.35 0.00 0.02 0.00 0.00 34.50 32.93 3ag4 s PRO 501 CO 0.54 -2.22 1.62 -0.92 -0.33 0.00 0.00 177.00 175.69 3ag4 h TYR 502 N -1.55 -0.28 -3.53 6.54 5.03 -2.01 -3.32 116.97 117.85 3ag4 h TYR 502 Ca -0.45 0.06 -0.65 0.00 2.58 0.00 0.00 58.73 60.27 3ag4 h TYR 502 Cb 1.26 0.24 -0.24 0.00 1.55 0.00 0.00 36.73 39.54 3ag4 h TYR 502 CO 0.51 -0.29 -0.65 -1.01 -1.32 0.00 0.00 178.16 175.39 3ag4 s HIS 503 N -6.20 3.05 0.27 -3.82 3.76 -1.26 -4.90 115.29 106.19 3ag4 s HIS 503 Ca -0.14 -0.54 0.11 0.00 -0.15 0.00 0.00 55.06 54.34 3ag4 s HIS 503 Cb 0.22 -2.17 -0.05 0.00 1.11 0.00 0.00 32.58 31.69 3ag4 s HIS 503 CO 0.75 -0.36 -0.12 0.95 -0.85 0.00 0.00 174.74 175.11 3ag4 s THR 504 N 1.40 2.90 -1.54 1.30 -4.23 -1.25 -4.66 115.64 109.56 3ag4 s THR 504 Ca 0.05 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 3ag4 s THR 504 Cb -0.15 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.18 3ag4 s THR 504 CO 0.02 -0.37 0.41 0.49 -0.54 0.00 0.00 174.62 174.63 3ag4 n PHE 505 N -0.69 -1.69 -0.37 3.99 3.72 -1.26 -4.32 117.46 116.84 3ag4 n PHE 505 Ca -0.06 0.36 0.04 0.00 -0.05 0.00 0.00 57.45 57.74 3ag4 n PHE 505 Cb 0.59 -4.07 0.19 0.00 -0.94 0.00 0.00 39.48 35.25 3ag4 n PHE 505 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ag4 h GLU 506 N -0.93 1.11 -5.10 -1.08 5.08 -1.94 -3.30 114.58 108.42 3ag4 h GLU 506 Ca -0.49 -0.07 -0.62 0.00 -1.00 0.00 0.00 59.36 57.18 3ag4 h GLU 506 Cb 1.35 -0.25 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 3ag4 h GLU 506 CO 0.55 0.73 -0.48 -2.00 -1.00 0.00 0.00 179.01 176.82 3ag4 s GLU 507 N -6.02 4.07 0.80 2.33 2.12 -1.26 -5.09 118.70 115.65 3ag4 s GLU 507 Ca -0.12 -0.23 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 3ag4 s GLU 507 Cb 0.21 -3.55 0.07 0.00 0.26 0.00 0.00 34.13 31.12 3ag4 s GLU 507 CO 0.81 0.02 1.12 -1.25 -0.54 0.00 0.00 175.26 175.43 3ag4 s PRO 508 N 1.16 1.95 0.80 4.30 0.04 -1.24 -5.01 135.00 137.00 3ag4 s PRO 508 Ca 0.09 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.33 3ag4 s PRO 508 Cb -0.14 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3ag4 s PRO 508 CO 0.05 -1.90 0.40 0.25 0.04 0.00 0.00 177.00 175.85 3ag4 n THR 509 N -3.53 1.11 -3.99 1.26 -2.24 -1.26 -5.01 114.28 100.61 3ag4 n THR 509 Ca 0.10 -0.34 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 3ag4 n THR 509 Cb 0.52 -0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.99 3ag4 n THR 509 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ag4 s TYR 510 N -2.06 3.12 -0.04 4.78 6.14 -1.26 -5.02 117.35 123.00 3ag4 s TYR 510 Ca 0.61 -0.25 -0.02 0.00 0.64 0.00 0.00 57.07 58.05 3ag4 s TYR 510 Cb -0.30 -2.12 0.03 0.00 0.42 0.00 0.00 41.96 39.99 3ag4 s TYR 510 CO 0.62 -0.13 0.05 0.08 0.64 0.00 0.00 175.55 176.82 3ag4 s VAL 511 N 0.93 -0.05 0.38 3.14 1.01 -1.26 -5.15 120.40 119.40 3ag4 s VAL 511 Ca 0.03 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 3ag4 s VAL 511 Cb -0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 3ag4 s VAL 511 CO 0.02 0.18 0.85 0.20 0.00 0.00 0.00 175.10 176.36 3ag4 s ASN 512 N 2.08 6.85 -0.12 3.32 0.02 -1.26 -4.51 114.94 121.33 3ag4 s ASN 512 Ca 0.04 1.49 -0.22 0.00 -1.02 0.00 0.00 52.86 53.16 3ag4 s ASN 512 Cb -0.12 -2.46 -0.26 0.00 0.02 0.00 0.00 41.25 38.43 3ag4 s ASN 512 CO -0.03 -0.30 0.62 0.25 0.02 0.00 0.00 177.10 177.66 3ag4 h LEU 513 N 2.03 0.22 0.00 0.60 6.46 -1.99 -3.48 115.31 119.15 3ag4 h LEU 513 Ca -0.48 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 56.43 3ag4 h LEU 513 Cb 1.18 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3ag4 h LEU 513 CO 0.63 1.38 0.00 0.29 -0.62 0.00 0.00 178.44 180.12