#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg4 s LYS 6 N 0.00 4.39 -0.25 -1.40 1.02 -1.26 -4.60 119.74 117.64 1pg4 s LYS 6 Ca 0.00 0.99 -0.13 0.00 0.02 0.00 0.00 55.97 56.85 1pg4 s LYS 6 Cb 0.00 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1pg4 s LYS 6 CO 0.00 0.51 0.27 -1.01 -0.92 0.00 0.00 175.35 174.20 1pg4 s HIS 7 N -1.30 3.28 0.87 3.18 3.76 0.16 -4.92 115.29 120.33 1pg4 s HIS 7 Ca 0.38 0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 1pg4 s HIS 7 Cb -0.20 -2.43 0.12 0.00 1.11 0.00 0.00 32.58 31.18 1pg4 s HIS 7 CO 0.23 -0.09 1.15 0.00 -0.85 0.00 0.00 174.74 175.18 1pg4 s ALA 8 N 1.57 1.66 -0.20 -1.40 0.00 -1.26 -2.14 121.76 119.99 1pg4 s ALA 8 Ca 0.11 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1pg4 s ALA 8 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1pg4 s ALA 8 CO 0.08 -2.52 1.04 0.42 0.00 0.00 0.00 175.76 174.78 1pg4 s ILE 9 N -2.57 4.68 0.36 0.00 1.01 -1.26 -4.84 121.20 118.59 1pg4 s ILE 9 Ca 0.67 2.01 -0.27 0.00 0.00 0.00 0.00 60.65 63.07 1pg4 s ILE 9 Cb -0.23 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.82 1pg4 s ILE 9 CO 0.56 -0.14 1.15 -2.65 0.00 0.00 0.00 174.94 173.86 1pg4 n PRO 10 N 6.04 1.73 -0.19 2.79 -0.02 -1.26 -4.76 135.00 139.33 1pg4 n PRO 10 Ca 0.11 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 62.18 1pg4 n PRO 10 Cb 0.47 -2.15 0.08 0.00 -0.02 0.00 0.00 33.50 31.88 1pg4 n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pg4 h ALA 11 N 2.10 0.72 -0.74 3.55 0.00 -1.97 -0.21 119.26 122.72 1pg4 h ALA 11 Ca -0.44 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1pg4 h ALA 11 Cb 1.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1pg4 h ALA 11 CO 0.60 -0.15 0.49 -2.95 0.00 0.00 0.00 179.25 177.24 1pg4 h ASN 12 N 0.44 0.82 -0.14 0.00 -1.07 -1.97 -0.58 115.58 113.09 1pg4 h ASN 12 Ca 0.27 -0.02 -0.10 0.00 0.07 0.00 0.00 56.30 56.52 1pg4 h ASN 12 Cb 0.28 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1pg4 h ASN 12 CO -0.25 0.58 -0.31 0.40 0.07 0.00 0.00 177.43 177.93 1pg4 h ILE 13 N 0.96 1.37 -0.09 6.14 1.08 -1.66 -3.14 117.51 122.17 1pg4 h ILE 13 Ca 0.28 -1.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.15 1pg4 h ILE 13 Cb -0.05 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1pg4 h ILE 13 CO -0.07 0.47 -0.02 0.00 -0.69 0.00 0.00 178.15 177.85 1pg4 h ALA 14 N 0.54 1.81 0.00 1.87 0.00 -0.63 0.61 119.26 123.45 1pg4 h ALA 14 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1pg4 h ALA 14 Cb 0.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1pg4 h ALA 14 CO 0.07 0.15 -0.31 -0.44 0.00 0.00 0.00 179.25 178.71 1pg4 h ASP 15 N 0.12 0.00 0.00 0.00 3.32 -1.07 -3.33 116.42 115.46 1pg4 h ASP 15 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pg4 h ASP 15 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1pg4 h ASP 15 CO 0.00 0.31 0.00 -2.11 -1.72 0.00 0.00 179.24 175.72 1pg4 n ARG 16 N -3.68 0.30 -1.72 3.56 1.85 -0.92 -5.08 116.66 110.97 1pg4 n ARG 16 Ca -0.01 -0.63 -0.37 0.00 -1.00 0.00 0.00 57.85 55.84 1pg4 n ARG 16 Cb 0.42 -0.83 0.06 0.00 -1.05 0.00 0.00 32.46 31.07 1pg4 n ARG 16 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pg4 h LEU 18 N 0.74 0.00 -7.55 0.00 3.38 -1.90 -3.44 115.31 106.55 1pg4 h LEU 18 Ca -0.51 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 1pg4 h LEU 18 Cb 1.33 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.71 1pg4 h LEU 18 CO 0.54 0.61 -0.78 -0.63 0.09 0.00 0.00 178.44 178.26 1pg4 s ILE 19 N -2.91 0.79 0.57 1.22 -1.09 -1.26 -5.08 121.20 113.44 1pg4 s ILE 19 Ca 0.01 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1pg4 s ILE 19 Cb 0.08 -0.97 0.06 0.00 -1.58 0.00 0.00 42.46 40.05 1pg4 s ILE 19 CO 0.78 0.18 0.78 0.54 -1.23 0.00 0.00 174.94 175.99 1pg4 s ASN 20 N 1.78 5.11 0.18 3.58 2.20 -1.26 -3.21 114.94 123.32 1pg4 s ASN 20 Ca 0.03 -0.37 -0.18 0.00 -0.94 0.00 0.00 52.86 51.40 1pg4 s ASN 20 Cb -0.14 -0.37 0.13 0.00 -2.00 0.00 0.00 41.25 38.87 1pg4 s ASN 20 CO -0.07 -1.27 1.62 -0.65 -2.94 0.00 0.00 177.10 173.79 1pg4 h PRO 21 N 0.08 -0.11 -0.69 3.55 0.11 -1.70 -0.39 132.00 132.85 1pg4 h PRO 21 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pg4 h PRO 21 Cb 1.28 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 1pg4 h PRO 21 CO 0.45 -0.07 0.43 0.93 -0.21 0.00 0.00 178.00 179.53 1pg4 h GLU 22 N -0.12 0.92 -0.68 1.05 3.07 -1.94 -2.14 114.58 114.75 1pg4 h GLU 22 Ca 0.23 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1pg4 h GLU 22 Cb 0.47 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1pg4 h GLU 22 CO -0.56 0.64 0.19 1.96 -1.40 0.00 0.00 179.01 179.84 1pg4 h GLN 23 N 0.93 1.06 -0.03 2.33 4.20 -1.75 -2.00 115.11 119.85 1pg4 h GLN 23 Ca 0.25 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1pg4 h GLN 23 Cb -0.06 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1pg4 h GLN 23 CO -0.05 0.92 0.01 -0.92 -0.67 0.00 0.00 178.83 178.12 1pg4 h TYR 24 N 1.01 0.04 -0.20 2.96 3.20 -0.78 -1.02 116.97 122.18 1pg4 h TYR 24 Ca 0.22 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1pg4 h TYR 24 Cb 0.32 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1pg4 h TYR 24 CO 0.02 0.13 -0.05 0.93 -1.64 0.00 0.00 178.16 177.55 1pg4 h GLU 25 N -0.06 0.00 -0.40 1.82 4.39 -1.19 0.16 114.58 119.31 1pg4 h GLU 25 Ca 0.01 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1pg4 h GLU 25 Cb 0.10 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1pg4 h GLU 25 CO -0.00 0.00 -0.12 1.79 -1.16 0.00 0.00 179.01 179.52 1pg4 h THR 26 N 0.01 1.28 -0.49 1.13 1.35 -1.34 -2.14 112.91 112.70 1pg4 h THR 26 Ca 0.10 -1.22 -0.10 0.00 -0.55 0.00 0.00 66.41 64.63 1pg4 h THR 26 Cb 0.14 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 1pg4 h THR 26 CO -0.20 0.41 -0.10 0.11 -0.25 0.00 0.00 175.52 175.48 1pg4 h LYS 27 N 0.59 0.93 -0.44 4.72 1.57 -1.02 -2.16 116.57 120.76 1pg4 h LYS 27 Ca 0.10 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1pg4 h LYS 27 Cb 0.65 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1pg4 h LYS 27 CO 0.04 1.01 0.24 -0.92 -0.57 0.00 0.00 179.45 179.25 1pg4 h TYR 28 N 0.79 0.60 -0.52 -1.35 3.20 -0.65 0.44 116.97 119.47 1pg4 h TYR 28 Ca 0.13 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1pg4 h TYR 28 Cb 0.65 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1pg4 h TYR 28 CO 0.05 0.45 0.27 -0.22 -1.64 0.00 0.00 178.16 177.07 1pg4 h LYS 29 N 0.57 0.51 -0.34 1.82 3.64 -1.26 -2.01 116.57 119.50 1pg4 h LYS 29 Ca 0.15 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1pg4 h LYS 29 Cb 0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1pg4 h LYS 29 CO -0.03 0.33 -0.33 0.37 -2.27 0.00 0.00 179.45 177.53 1pg4 h GLN 30 N 0.52 0.75 0.00 1.90 4.15 -1.12 -0.22 115.11 121.10 1pg4 h GLN 30 Ca 0.23 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1pg4 h GLN 30 Cb 0.13 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1pg4 h GLN 30 CO -0.16 0.97 -0.07 0.66 -1.93 0.00 0.00 178.83 178.31 1pg4 h SER 31 N 0.63 0.00 0.03 -0.69 4.64 -0.34 0.23 113.55 118.06 1pg4 h SER 31 Ca 0.07 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.03 1pg4 h SER 31 Cb 0.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1pg4 h SER 31 CO 0.08 0.07 -2.00 -0.38 -0.87 0.00 0.00 176.83 173.72 1pg4 n ILE 32 N -3.73 1.59 0.07 0.95 2.08 -0.81 -3.58 119.36 115.92 1pg4 n ILE 32 Ca -0.02 -0.38 -0.09 0.00 0.56 0.00 0.00 62.75 62.82 1pg4 n ILE 32 Cb 0.17 -1.81 0.03 0.00 -0.75 0.00 0.00 39.64 37.28 1pg4 n ILE 32 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1pg4 h ASN 33 N -0.55 0.40 -1.96 4.38 4.21 -0.97 -3.39 115.58 117.70 1pg4 h ASN 33 Ca -0.50 -0.27 -0.55 0.00 1.21 0.00 0.00 56.30 56.19 1pg4 h ASN 33 Cb 1.68 -0.12 -0.38 0.00 -1.12 0.00 0.00 38.32 38.38 1pg4 h ASN 33 CO -0.17 1.01 -1.06 -0.67 -1.29 0.00 0.00 177.43 175.25 1pg4 n ASP 34 N -3.80 -0.08 -0.08 5.81 2.03 0.80 -4.98 116.55 116.26 1pg4 n ASP 34 Ca -0.04 -2.67 0.06 0.00 0.52 0.00 0.00 54.79 52.66 1pg4 n ASP 34 Cb 0.72 -0.51 0.41 0.00 -0.72 0.00 0.00 41.12 41.03 1pg4 n ASP 34 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pg4 h PRO 35 N 4.23 0.59 -0.32 -0.67 0.13 -1.62 -1.53 132.00 132.81 1pg4 h PRO 35 Ca 0.09 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1pg4 h PRO 35 Cb 0.89 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1pg4 h PRO 35 CO 0.44 0.39 0.21 -0.44 -0.23 0.00 0.00 178.00 178.36 1pg4 h ASP 36 N 0.61 0.35 -0.14 1.44 3.45 -1.91 0.24 116.42 120.46 1pg4 h ASP 36 Ca 0.22 -0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 1pg4 h ASP 36 Cb 0.14 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1pg4 h ASP 36 CO -0.06 0.25 -0.30 0.74 -1.57 0.00 0.00 179.24 178.30 1pg4 h THR 37 N 0.42 1.36 0.57 0.35 2.02 -1.86 0.11 112.91 115.89 1pg4 h THR 37 Ca 0.12 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1pg4 h THR 37 Cb -0.03 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1pg4 h THR 37 CO -0.04 0.47 -0.27 0.15 0.37 0.00 0.00 175.52 176.20 1pg4 h PHE 38 N 0.07 -0.71 0.00 3.16 3.57 -1.15 -2.17 116.94 119.72 1pg4 h PHE 38 Ca 0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1pg4 h PHE 38 Cb 0.90 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1pg4 h PHE 38 CO 0.10 -0.44 -0.30 -1.49 -2.23 0.00 0.00 178.31 173.95 1pg4 h TRP 39 N -0.77 0.00 -0.44 0.41 4.06 -0.61 -0.99 115.95 117.61 1pg4 h TRP 39 Ca -0.08 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.82 1pg4 h TRP 39 Cb 0.59 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.73 1pg4 h TRP 39 CO -0.03 0.30 0.05 0.78 -3.56 0.00 0.00 178.44 175.98 1pg4 h GLY 40 N 2.43 0.73 0.63 1.49 0.00 -0.62 -0.14 103.07 107.60 1pg4 h GLY 40 Ca -0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 47.33 46.67 1pg4 h GLY 40 CO 0.04 0.41 -1.04 0.83 0.00 0.00 0.00 176.54 176.77 1pg4 h GLU 41 N 0.65 0.28 0.00 4.80 5.08 -1.11 -3.34 114.58 120.94 1pg4 h GLU 41 Ca 0.14 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1pg4 h GLU 41 Cb 0.33 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pg4 h GLU 41 CO 0.01 1.23 -0.12 0.37 -1.00 0.00 0.00 179.01 179.49 1pg4 h GLN 42 N -0.36 0.00 0.00 2.33 5.75 -1.12 -2.35 115.11 119.36 1pg4 h GLN 42 Ca -0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1pg4 h GLN 42 Cb 1.68 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.23 1pg4 h GLN 42 CO 0.11 0.12 0.00 0.78 -2.65 0.00 0.00 178.83 177.20 1pg4 h GLY 43 N 1.31 0.00 1.28 2.39 0.00 -1.13 -1.74 103.07 105.18 1pg4 h GLY 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pg4 h GLY 43 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1pg4 n LYS 44 N -2.94 0.34 0.18 4.80 4.76 -0.89 -2.31 118.16 122.11 1pg4 n LYS 44 Ca -0.02 0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.63 1pg4 n LYS 44 Cb 0.12 -1.50 0.61 0.00 -1.84 0.00 0.00 35.03 32.42 1pg4 n LYS 44 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1pg4 h ILE 45 N 0.00 0.00 -2.28 -0.18 2.10 -1.54 -3.42 117.51 112.19 1pg4 h ILE 45 Ca 0.00 -0.18 -0.57 0.00 1.08 0.00 0.00 64.86 65.19 1pg4 h ILE 45 Cb 0.07 0.88 -0.11 0.00 -1.09 0.00 0.00 36.82 36.57 1pg4 h ILE 45 CO 0.00 0.00 -0.68 -0.76 -1.08 0.00 0.00 178.15 175.63 1pg4 s LEU 46 N -4.84 3.05 -0.10 2.19 1.43 -0.98 -5.00 118.68 114.43 1pg4 s LEU 46 Ca 0.01 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.19 1pg4 s LEU 46 Cb 0.09 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1pg4 s LEU 46 CO 0.35 0.02 0.57 -1.81 0.23 0.00 0.00 176.35 175.71 1pg4 s ASP 47 N -3.56 6.81 -0.10 2.29 -0.00 -1.26 -5.06 116.67 115.79 1pg4 s ASP 47 Ca 0.30 0.96 0.00 0.00 -0.00 0.00 0.00 52.55 53.82 1pg4 s ASP 47 Cb -0.06 -2.34 -0.02 0.00 -0.00 0.00 0.00 42.92 40.49 1pg4 s ASP 47 CO 0.18 -0.06 -0.10 0.26 -0.00 0.00 0.00 175.17 175.46 1pg4 s TRP 48 N 0.77 2.87 0.07 4.23 0.52 -1.26 -4.63 118.94 121.50 1pg4 s TRP 48 Ca 0.31 -0.26 -0.17 0.00 0.02 0.00 0.00 56.10 56.00 1pg4 s TRP 48 Cb -0.16 -1.78 -0.14 0.00 -1.15 0.00 0.00 33.47 30.25 1pg4 s TRP 48 CO 0.13 0.08 1.32 0.82 0.02 0.00 0.00 176.95 179.33 1pg4 h ILE 49 N 4.75 1.34 -3.65 2.03 2.04 -1.21 -3.42 117.51 119.38 1pg4 h ILE 49 Ca -0.39 -1.61 -0.47 0.00 1.00 0.00 0.00 64.86 63.40 1pg4 h ILE 49 Cb 1.18 1.91 -0.32 0.00 -0.74 0.00 0.00 36.82 38.85 1pg4 h ILE 49 CO 0.55 0.49 -0.80 0.42 0.00 0.00 0.00 178.15 178.81 1pg4 s THR 50 N -4.04 0.93 0.59 -0.27 -4.23 -1.11 -4.97 115.64 102.54 1pg4 s THR 50 Ca -0.13 -0.40 -0.19 0.00 -1.18 0.00 0.00 61.69 59.79 1pg4 s THR 50 Cb 0.07 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 1pg4 s THR 50 CO 0.82 0.29 1.19 -2.16 -0.54 0.00 0.00 174.62 174.22 1pg4 s PRO 51 N 0.42 3.02 0.40 3.99 0.04 -1.26 -1.65 135.00 139.95 1pg4 s PRO 51 Ca -0.08 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1pg4 s PRO 51 Cb -0.12 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1pg4 s PRO 51 CO 0.02 -1.15 0.64 1.52 0.04 0.00 0.00 177.00 178.07 1pg4 s TYR 52 N -1.66 3.52 0.00 0.56 -0.85 -1.26 -4.23 117.35 113.43 1pg4 s TYR 52 Ca 0.76 0.56 -0.02 0.00 -0.52 0.00 0.00 57.07 57.85 1pg4 s TYR 52 Cb -0.29 -2.08 -0.01 0.00 0.38 0.00 0.00 41.96 39.96 1pg4 s TYR 52 CO 0.32 -0.03 -0.04 1.04 -1.52 0.00 0.00 175.55 175.32 1pg4 n GLN 53 N -1.90 0.07 -2.67 -3.49 1.13 -1.26 -4.92 117.38 104.34 1pg4 n GLN 53 Ca -0.02 0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.69 1pg4 n GLN 53 Cb 0.56 -0.62 -0.05 0.00 0.11 0.00 0.00 30.24 30.23 1pg4 n GLN 53 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1pg4 s LYS 54 N -2.08 4.53 0.00 -1.09 0.00 -1.26 -5.00 119.74 114.84 1pg4 s LYS 54 Ca -0.04 1.47 0.00 0.00 0.00 0.00 0.00 55.97 57.40 1pg4 s LYS 54 Cb 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 37.83 34.98 1pg4 s LYS 54 CO 0.06 0.20 0.00 0.28 0.00 0.00 0.00 175.35 175.89 1pg4 n VAL 55 N 0.64 0.00 -3.27 1.79 0.31 -1.26 -3.54 118.33 113.00 1pg4 n VAL 55 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.96 1pg4 n VAL 55 Cb 0.49 -0.69 -0.07 0.00 -0.91 0.00 0.00 33.84 32.66 1pg4 n VAL 55 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pg4 s LYS 56 N -0.02 4.20 -0.45 5.55 2.20 -1.26 -0.93 119.74 129.03 1pg4 s LYS 56 Ca 0.00 0.39 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 1pg4 s LYS 56 Cb 0.00 -3.55 0.18 0.00 -1.51 0.00 0.00 37.83 32.95 1pg4 s LYS 56 CO 0.00 -0.12 0.49 -1.71 -0.36 0.00 0.00 175.35 173.65 1pg4 n ASN 57 N 4.68 -1.49 -4.28 1.43 5.15 -0.47 -5.03 115.26 115.26 1pg4 n ASN 57 Ca -0.05 -2.58 -0.16 0.00 -0.60 0.00 0.00 54.58 51.19 1pg4 n ASN 57 Cb 0.51 0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 39.90 1pg4 n ASN 57 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1pg4 s THR 58 N 0.28 1.34 -0.20 -0.44 -4.23 -1.26 -1.68 115.64 109.46 1pg4 s THR 58 Ca 0.32 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.59 1pg4 s THR 58 Cb 0.04 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1pg4 s THR 58 CO -0.15 -0.69 0.50 -0.55 -0.54 0.00 0.00 174.62 173.19 1pg4 s SER 59 N -3.22 -0.61 -0.15 3.99 0.15 0.36 -4.99 113.70 109.23 1pg4 s SER 59 Ca 0.19 1.07 0.16 0.00 0.70 0.00 0.00 55.95 58.06 1pg4 s SER 59 Cb 0.02 0.98 0.58 0.00 -1.71 0.00 0.00 66.02 65.89 1pg4 s SER 59 CO 0.03 -0.20 1.49 0.49 1.20 0.00 0.00 173.24 176.25 1pg4 n PHE 60 N 3.84 1.17 -1.66 3.44 0.99 -1.26 -1.88 117.46 122.11 1pg4 n PHE 60 Ca -0.20 -0.74 -0.45 0.00 -0.00 0.00 0.00 57.45 56.06 1pg4 n PHE 60 Cb 0.56 -0.29 -0.03 0.00 -1.00 0.00 0.00 39.48 38.73 1pg4 n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pg4 n ALA 61 N 0.17 0.84 -1.55 4.37 0.00 -1.25 -3.69 120.51 119.39 1pg4 n ALA 61 Ca 0.22 0.41 -0.57 0.00 0.00 0.00 0.00 53.44 53.50 1pg4 n ALA 61 Cb 0.87 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1pg4 n ALA 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pg4 n PRO 62 N 1.88 0.47 -1.24 0.00 -0.02 -1.26 -0.67 135.00 134.16 1pg4 n PRO 62 Ca 0.12 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1pg4 n PRO 62 Cb 0.31 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1pg4 n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg4 n GLY 63 N 2.10 0.94 2.52 -1.23 0.00 -1.26 -4.74 105.19 103.51 1pg4 n GLY 63 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1pg4 n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pg4 n ASN 64 N -0.13 -0.76 -4.72 1.61 3.02 0.16 -5.09 115.26 109.34 1pg4 n ASN 64 Ca -0.10 -3.23 -0.39 0.00 -0.03 0.00 0.00 54.58 50.83 1pg4 n ASN 64 Cb 0.35 0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 40.12 1pg4 n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pg4 s VAL 65 N -1.06 5.12 -0.06 2.41 1.01 -1.16 -3.90 120.40 122.76 1pg4 s VAL 65 Ca 0.29 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 1pg4 s VAL 65 Cb 0.34 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1pg4 s VAL 65 CO -0.06 0.30 0.10 -0.55 0.00 0.00 0.00 175.10 174.90 1pg4 s SER 66 N 0.65 0.66 -0.20 3.32 0.15 -0.79 -5.01 113.70 112.47 1pg4 s SER 66 Ca 0.31 0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1pg4 s SER 66 Cb -0.16 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1pg4 s SER 66 CO 0.14 -0.21 -0.09 -0.63 1.20 0.00 0.00 173.24 173.64 1pg4 s ILE 67 N 1.90 1.57 -0.02 6.45 1.01 -1.26 -0.49 121.20 130.36 1pg4 s ILE 67 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1pg4 s ILE 67 Cb -0.12 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1pg4 s ILE 67 CO -0.04 0.13 -0.04 -0.54 0.00 0.00 0.00 174.94 174.45 1pg4 s LYS 68 N 1.42 0.49 -0.02 2.79 1.02 -0.68 -4.93 119.74 119.83 1pg4 s LYS 68 Ca -0.02 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1pg4 s LYS 68 Cb -0.16 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 1pg4 s LYS 68 CO -0.08 0.04 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.78 1pg4 s TRP 69 N 0.23 0.51 -1.06 3.18 0.52 -1.26 -1.36 118.94 119.70 1pg4 s TRP 69 Ca -0.02 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 55.99 1pg4 s TRP 69 Cb -0.06 -0.43 0.00 0.00 -1.15 0.00 0.00 33.47 31.83 1pg4 s TRP 69 CO -0.00 -0.09 0.03 0.66 0.02 0.00 0.00 176.95 177.57 1pg4 n TYR 70 N 3.58 -1.45 -0.35 -1.98 4.02 -0.10 -4.45 117.16 116.43 1pg4 n TYR 70 Ca -0.20 0.03 0.30 0.00 -0.01 0.00 0.00 57.90 58.02 1pg4 n TYR 70 Cb 0.54 -2.77 0.63 0.00 -0.02 0.00 0.00 39.34 37.72 1pg4 n TYR 70 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1pg4 h GLU 71 N -0.07 0.18 -0.28 -0.72 4.11 -1.80 -0.97 114.58 115.03 1pg4 h GLU 71 Ca -0.30 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1pg4 h GLU 71 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1pg4 h GLU 71 CO 0.35 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 179.15 1pg4 n ASP 72 N -4.43 2.19 -4.97 3.06 5.75 -1.26 -4.41 116.55 112.48 1pg4 n ASP 72 Ca 0.27 -1.85 -0.21 0.00 -0.01 0.00 0.00 54.79 53.00 1pg4 n ASP 72 Cb 1.13 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 41.02 1pg4 n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1pg4 s GLY 73 N -1.39 1.40 0.08 6.12 0.00 -0.37 -4.57 107.32 108.59 1pg4 s GLY 73 Ca 0.32 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1pg4 s GLY 73 CO 0.25 -1.17 -0.12 -0.51 0.00 0.00 0.00 173.10 171.56 1pg4 s THR 74 N -2.18 1.02 0.21 0.90 -4.23 -0.66 -1.65 115.64 109.05 1pg4 s THR 74 Ca 0.40 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 1pg4 s THR 74 Cb -0.09 -1.18 0.07 0.00 1.34 0.00 0.00 72.50 72.63 1pg4 s THR 74 CO 0.32 -0.39 0.96 0.00 -0.54 0.00 0.00 174.62 174.97 1pg4 n LEU 75 N 0.94 0.00 -3.73 4.79 -0.00 0.40 -0.59 117.00 118.81 1pg4 n LEU 75 Ca -0.19 -1.59 -0.19 0.00 -0.00 0.00 0.00 56.01 54.04 1pg4 n LEU 75 Cb 0.56 2.88 -0.17 0.00 -0.00 0.00 0.00 43.42 46.68 1pg4 n LEU 75 CO 0.24 -0.53 -0.35 0.21 -0.00 0.00 0.00 177.39 176.95 1pg4 s ASN 76 N -3.29 0.96 0.16 1.45 2.47 -1.26 -0.16 114.94 115.26 1pg4 s ASN 76 Ca 0.21 0.03 -0.14 0.00 0.42 0.00 0.00 52.86 53.37 1pg4 s ASN 76 Cb -0.03 -0.20 0.05 0.00 -1.45 0.00 0.00 41.25 39.62 1pg4 s ASN 76 CO 0.06 -0.20 1.76 0.25 -3.72 0.00 0.00 177.10 175.25 1pg4 h LEU 77 N 8.07 0.64 -1.22 3.21 6.46 -1.94 -2.48 115.31 128.04 1pg4 h LEU 77 Ca -0.23 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1pg4 h LEU 77 Cb 1.12 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1pg4 h LEU 77 CO 0.27 0.56 0.37 0.00 -0.62 0.00 0.00 178.44 179.02 1pg4 h ALA 78 N 1.11 1.41 -0.54 1.25 0.00 -1.83 -0.08 119.26 120.57 1pg4 h ALA 78 Ca 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1pg4 h ALA 78 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pg4 h ALA 78 CO -0.03 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1pg4 h ALA 79 N 1.49 1.05 0.00 0.00 0.00 -1.90 0.13 119.26 120.03 1pg4 h ALA 79 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1pg4 h ALA 79 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pg4 h ALA 79 CO -0.04 0.60 -0.54 -0.91 0.00 0.00 0.00 179.25 178.36 1pg4 h ASN 80 N 0.84 0.00 0.30 0.00 2.35 -0.88 -1.03 115.58 117.15 1pg4 h ASN 80 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1pg4 h ASN 80 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1pg4 h ASN 80 CO 0.02 0.54 -0.84 0.00 -1.65 0.00 0.00 177.43 175.49 1pg4 n LEU 82 N -1.63 0.00 -0.36 0.00 4.77 0.42 -4.61 117.00 115.59 1pg4 n LEU 82 Ca 0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1pg4 n LEU 82 Cb 0.36 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1pg4 n LEU 82 CO 0.39 -0.23 0.58 0.44 -1.33 0.00 0.00 177.39 177.25 1pg4 h ASP 83 N 0.00 -1.45 0.22 -1.43 3.45 -1.55 -0.32 116.42 115.34 1pg4 h ASP 83 Ca 0.00 0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.76 1pg4 h ASP 83 Cb 0.00 0.75 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1pg4 h ASP 83 CO 0.00 -0.29 0.00 -2.11 -1.57 0.00 0.00 179.24 175.27 1pg4 n ARG 84 N -5.45 0.10 0.00 3.56 1.85 -0.41 -1.80 116.66 114.50 1pg4 n ARG 84 Ca 0.09 0.50 0.11 0.00 -1.00 0.00 0.00 57.85 57.55 1pg4 n ARG 84 Cb 0.39 -1.76 0.10 0.00 -1.05 0.00 0.00 32.46 30.13 1pg4 n ARG 84 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1pg4 n HIS 85 N -1.95 0.00 -0.00 2.89 8.25 -0.13 -4.54 115.22 119.73 1pg4 n HIS 85 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1pg4 n HIS 85 Cb 0.09 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 1pg4 n HIS 85 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pg4 h LEU 86 N 1.37 0.05 -0.74 2.41 3.38 -1.35 0.24 115.31 120.68 1pg4 h LEU 86 Ca 0.00 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1pg4 h LEU 86 Cb 0.61 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1pg4 h LEU 86 CO 0.00 0.30 0.39 -0.61 0.09 0.00 0.00 178.44 178.62 1pg4 h GLN 87 N -0.20 0.65 0.00 1.13 4.15 -1.80 -1.41 115.11 117.63 1pg4 h GLN 87 Ca 0.01 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 1pg4 h GLN 87 Cb 0.27 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1pg4 h GLN 87 CO 0.00 0.43 -1.96 0.39 -1.93 0.00 0.00 178.83 175.77 1pg4 n GLU 88 N -4.82 0.95 -1.77 1.69 1.02 -1.24 -4.72 120.64 111.75 1pg4 n GLU 88 Ca 0.12 -0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1pg4 n GLU 88 Cb 0.26 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.33 1pg4 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pg4 n ASN 89 N -2.36 1.81 0.18 1.62 4.13 0.82 -4.85 115.26 116.61 1pg4 n ASN 89 Ca -0.15 -2.60 0.05 0.00 1.68 0.00 0.00 54.58 53.56 1pg4 n ASN 89 Cb 0.75 -0.40 0.51 0.00 -1.54 0.00 0.00 39.78 39.09 1pg4 n ASN 89 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1pg4 h GLY 90 N 1.60 0.13 1.44 7.41 0.00 -0.89 -2.03 103.07 110.73 1pg4 h GLY 90 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1pg4 h GLY 90 CO 0.19 0.06 -0.30 1.22 0.00 0.00 0.00 176.54 177.71 1pg4 n ASP 91 N -4.39 0.33 -4.77 0.19 8.00 -1.26 -1.36 116.55 113.29 1pg4 n ASP 91 Ca -0.02 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1pg4 n ASP 91 Cb 0.18 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1pg4 n ASP 91 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pg4 s ARG 92 N -3.02 3.81 0.00 -1.24 3.52 -0.76 -4.79 118.95 116.48 1pg4 s ARG 92 Ca 0.12 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.34 1pg4 s ARG 92 Cb 0.18 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.98 1pg4 s ARG 92 CO 0.63 -0.55 1.32 0.99 -0.81 0.00 0.00 175.30 176.88 1pg4 s THR 93 N -1.42 3.86 -0.20 4.11 2.01 -1.26 -1.15 115.64 121.59 1pg4 s THR 93 Ca 0.61 1.26 -0.20 0.00 0.31 0.00 0.00 61.69 63.67 1pg4 s THR 93 Cb -0.33 -3.81 -0.17 0.00 0.01 0.00 0.00 72.50 68.21 1pg4 s THR 93 CO 0.40 0.02 0.17 0.00 -0.69 0.00 0.00 174.62 174.52 1pg4 h ALA 94 N 7.50 0.22 -3.36 7.40 0.00 -0.39 -3.37 119.26 127.26 1pg4 h ALA 94 Ca -0.38 -1.09 -0.58 0.00 0.00 0.00 0.00 54.91 52.86 1pg4 h ALA 94 Cb 1.18 0.69 -0.34 0.00 0.00 0.00 0.00 17.79 19.33 1pg4 h ALA 94 CO 0.88 0.66 -0.84 0.42 0.00 0.00 0.00 179.25 180.37 1pg4 s ILE 95 N -2.34 1.51 -0.26 0.00 1.01 -0.65 -1.09 121.20 119.38 1pg4 s ILE 95 Ca -0.26 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 1pg4 s ILE 95 Cb 0.05 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1pg4 s ILE 95 CO 0.54 0.44 0.12 -0.63 0.00 0.00 0.00 174.94 175.41 1pg4 s ILE 96 N 0.62 4.72 -0.22 2.92 1.01 -0.37 -0.50 121.20 129.39 1pg4 s ILE 96 Ca -0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1pg4 s ILE 96 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1pg4 s ILE 96 CO 0.04 0.29 0.06 0.86 0.00 0.00 0.00 174.94 176.19 1pg4 s TRP 97 N 1.67 3.13 -0.26 3.97 -0.00 0.14 -0.44 118.94 127.16 1pg4 s TRP 97 Ca 0.07 -0.23 -0.04 0.00 -0.00 0.00 0.00 56.10 55.89 1pg4 s TRP 97 Cb -0.16 -2.16 0.01 0.00 -0.00 0.00 0.00 33.47 31.17 1pg4 s TRP 97 CO 0.07 -0.15 -0.01 -2.00 -0.00 0.00 0.00 176.95 174.86 1pg4 s GLU 98 N 1.07 3.06 0.83 5.86 2.56 -0.58 -0.62 118.70 130.88 1pg4 s GLU 98 Ca 0.04 -0.85 -0.11 0.00 0.00 0.00 0.00 54.97 54.05 1pg4 s GLU 98 Cb -0.14 -3.13 0.09 0.00 2.00 0.00 0.00 34.13 32.95 1pg4 s GLU 98 CO 0.03 -0.36 1.09 0.20 -0.56 0.00 0.00 175.26 175.66 1pg4 s GLY 99 N 1.43 1.63 0.34 -1.50 0.00 0.69 -0.68 107.32 109.23 1pg4 s GLY 99 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.71 1pg4 s GLY 99 CO -0.02 0.35 1.91 -1.80 0.00 0.00 0.00 173.10 173.55 1pg4 h ASP 100 N -1.26 0.72 -3.81 1.64 3.58 -1.85 -3.32 116.42 112.12 1pg4 h ASP 100 Ca -0.47 0.02 -0.64 0.00 0.42 0.00 0.00 57.03 56.36 1pg4 h ASP 100 Cb 1.27 -0.13 -0.17 0.00 1.72 0.00 0.00 39.33 42.02 1pg4 h ASP 100 CO 0.56 0.43 -0.52 -0.62 -2.88 0.00 0.00 179.24 176.21 1pg4 s ASP 101 N -5.99 6.02 0.56 2.28 -1.08 -1.26 -4.80 116.67 112.39 1pg4 s ASP 101 Ca -0.10 0.01 0.33 0.00 -0.52 0.00 0.00 52.55 52.27 1pg4 s ASP 101 Cb 0.20 -2.11 1.79 0.00 -1.46 0.00 0.00 42.92 41.34 1pg4 s ASP 101 CO 0.78 -0.02 2.00 0.00 0.52 0.00 0.00 175.17 178.45 1pg4 h THR 102 N 5.29 0.00 0.00 1.71 1.03 -1.97 0.13 112.91 119.10 1pg4 h THR 102 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1pg4 h THR 102 Cb 1.18 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1pg4 h THR 102 CO 0.58 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.55 1pg4 n SER 103 N -2.75 0.42 -4.42 0.00 3.41 -1.26 -4.52 113.62 104.50 1pg4 n SER 103 Ca -0.02 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.84 1pg4 n SER 103 Cb 0.17 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 1pg4 n SER 103 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pg4 s GLN 104 N -3.20 3.58 0.22 4.33 -1.52 0.03 -5.07 119.66 118.02 1pg4 s GLN 104 Ca 0.05 -0.53 -0.15 0.00 -1.95 0.00 0.00 55.36 52.78 1pg4 s GLN 104 Cb 0.09 -3.15 0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1pg4 s GLN 104 CO 0.34 -0.11 0.50 -1.54 -0.25 0.00 0.00 175.29 174.23 1pg4 s SER 105 N 1.32 -0.16 -0.15 5.90 1.04 -1.26 -0.22 113.70 120.18 1pg4 s SER 105 Ca 0.04 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.54 1pg4 s SER 105 Cb -0.15 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.61 1pg4 s SER 105 CO 0.01 -1.09 0.59 -0.75 0.98 0.00 0.00 173.24 172.98 1pg4 s LYS 106 N -3.94 0.81 -0.29 4.02 2.20 0.21 -4.97 119.74 117.78 1pg4 s LYS 106 Ca 0.15 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1pg4 s LYS 106 Cb -0.01 0.38 0.08 0.00 -1.51 0.00 0.00 37.83 36.77 1pg4 s LYS 106 CO 0.03 -0.17 -0.03 -1.01 -0.36 0.00 0.00 175.35 173.80 1pg4 s HIS 107 N -0.35 3.26 -0.35 4.03 3.76 -1.26 0.28 115.29 124.66 1pg4 s HIS 107 Ca -0.05 -2.48 -0.13 0.00 -0.15 0.00 0.00 55.06 52.26 1pg4 s HIS 107 Cb -0.03 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 1pg4 s HIS 107 CO 0.04 -0.89 0.24 0.42 -0.85 0.00 0.00 174.74 173.70 1pg4 s ILE 108 N 1.09 5.19 0.74 0.60 1.01 0.34 -4.99 121.20 125.18 1pg4 s ILE 108 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1pg4 s ILE 108 Cb -0.19 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.62 1pg4 s ILE 108 CO -0.07 -0.04 1.08 -0.94 0.00 0.00 0.00 174.94 174.96 1pg4 s SER 109 N 1.70 4.95 0.37 3.58 1.04 -1.26 0.29 113.70 124.37 1pg4 s SER 109 Ca 0.06 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.11 1pg4 s SER 109 Cb -0.18 -2.36 0.77 0.00 0.10 0.00 0.00 66.02 64.35 1pg4 s SER 109 CO 0.10 -1.71 1.97 1.88 0.98 0.00 0.00 173.24 176.46 1pg4 h TYR 110 N -0.91 0.71 -0.34 5.02 -1.99 -1.07 0.13 116.97 118.53 1pg4 h TYR 110 Ca -0.45 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 1pg4 h TYR 110 Cb 1.23 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 1pg4 h TYR 110 CO 0.56 0.39 0.04 -0.09 -0.00 0.00 0.00 178.16 179.06 1pg4 h ARG 111 N 0.71 0.56 -0.21 4.88 2.43 -1.49 -0.11 114.38 121.16 1pg4 h ARG 111 Ca 0.29 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1pg4 h ARG 111 Cb 0.23 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pg4 h ARG 111 CO -0.09 0.66 0.03 0.93 -1.51 0.00 0.00 179.97 179.99 1pg4 h GLU 112 N 0.39 0.36 -0.68 0.20 5.08 -1.54 -1.62 114.58 116.77 1pg4 h GLU 112 Ca 0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pg4 h GLU 112 Cb 0.37 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1pg4 h GLU 112 CO 0.01 0.50 0.41 1.25 -1.00 0.00 0.00 179.01 180.19 1pg4 h LEU 113 N 0.15 0.81 -0.37 1.33 5.85 -0.72 -2.09 115.31 120.27 1pg4 h LEU 113 Ca 0.06 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1pg4 h LEU 113 Cb 0.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1pg4 h LEU 113 CO 0.00 0.63 0.20 -0.74 -0.34 0.00 0.00 178.44 178.20 1pg4 h HIS 114 N 0.92 0.38 -0.37 1.25 2.76 -0.88 -0.46 115.15 118.76 1pg4 h HIS 114 Ca 0.24 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1pg4 h HIS 114 Cb -0.03 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1pg4 h HIS 114 CO -0.02 0.22 0.23 -0.09 -1.30 0.00 0.00 177.93 176.97 1pg4 h ARG 115 N 0.42 0.46 -0.24 5.26 2.43 -0.92 -0.91 114.38 120.87 1pg4 h ARG 115 Ca 0.15 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1pg4 h ARG 115 Cb 0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1pg4 h ARG 115 CO -0.08 0.30 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.92 1pg4 h ASP 116 N 0.47 0.50 -0.41 -3.80 3.32 -1.18 -1.40 116.42 113.92 1pg4 h ASP 116 Ca 0.14 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1pg4 h ASP 116 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1pg4 h ASP 116 CO -0.05 0.79 -0.10 0.58 -1.72 0.00 0.00 179.24 178.75 1pg4 h VAL 117 N 0.42 1.26 -0.39 -1.35 2.07 -0.76 0.53 116.25 118.03 1pg4 h VAL 117 Ca 0.05 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1pg4 h VAL 117 Cb 0.76 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1pg4 h VAL 117 CO 0.06 0.41 -0.01 0.00 0.02 0.00 0.00 177.57 178.06 1pg4 h ARG 119 N 0.52 1.01 -0.03 0.00 3.08 -1.04 -1.02 114.38 116.90 1pg4 h ARG 119 Ca 0.11 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1pg4 h ARG 119 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1pg4 h ARG 119 CO 0.02 0.82 -0.71 0.35 -1.07 0.00 0.00 179.97 179.38 1pg4 h PHE 120 N 0.96 0.23 -0.51 3.04 3.57 -0.72 -0.98 116.94 122.53 1pg4 h PHE 120 Ca 0.23 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1pg4 h PHE 120 Cb 0.16 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1pg4 h PHE 120 CO 0.01 0.82 0.26 0.00 -2.23 0.00 0.00 178.31 177.17 1pg4 h ALA 121 N 1.16 0.66 -0.20 2.41 0.00 -0.28 0.20 119.26 123.21 1pg4 h ALA 121 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1pg4 h ALA 121 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pg4 h ALA 121 CO 0.10 0.21 -0.27 -0.91 0.00 0.00 0.00 179.25 178.38 1pg4 h ASN 122 N 0.68 0.37 -0.33 0.00 2.35 -1.04 -1.63 115.58 115.99 1pg4 h ASN 122 Ca 0.18 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1pg4 h ASN 122 Cb 0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1pg4 h ASN 122 CO -0.02 0.64 0.19 0.74 -1.65 0.00 0.00 177.43 177.33 1pg4 h THR 123 N 0.33 1.12 -0.35 2.81 2.02 -0.40 0.54 112.91 118.97 1pg4 h THR 123 Ca 0.05 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1pg4 h THR 123 Cb 0.65 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1pg4 h THR 123 CO 0.05 0.12 0.16 -0.07 0.37 0.00 0.00 175.52 176.15 1pg4 h LEU 124 N 0.42 0.46 -0.59 2.58 3.38 -0.66 -1.96 115.31 118.93 1pg4 h LEU 124 Ca 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pg4 h LEU 124 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1pg4 h LEU 124 CO -0.02 0.47 0.31 -0.07 0.09 0.00 0.00 178.44 179.22 1pg4 h LEU 125 N 0.42 0.76 -1.84 1.67 3.38 -1.09 -1.00 115.31 117.61 1pg4 h LEU 125 Ca 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pg4 h LEU 125 Cb 0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1pg4 h LEU 125 CO -0.01 0.65 -0.01 0.44 0.09 0.00 0.00 178.44 179.59 1pg4 h ASP 126 N 0.81 0.00 0.27 -0.43 3.32 -0.72 -1.65 116.42 118.01 1pg4 h ASP 126 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1pg4 h ASP 126 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1pg4 h ASP 126 CO -0.03 0.01 -0.22 -0.11 -1.72 0.00 0.00 179.24 177.17 1pg4 n LEU 127 N -3.12 0.88 0.00 1.55 7.94 -0.75 -4.93 117.00 118.57 1pg4 n LEU 127 Ca -0.00 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1pg4 n LEU 127 Cb 0.25 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1pg4 n LEU 127 CO 0.26 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 1pg4 n GLY 128 N 1.32 0.59 3.73 -3.96 0.00 -0.62 -5.07 105.19 101.18 1pg4 n GLY 128 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pg4 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg4 s ILE 129 N -2.00 3.83 0.23 -0.61 -1.09 -0.44 -5.00 121.20 116.12 1pg4 s ILE 129 Ca 0.00 1.51 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 1pg4 s ILE 129 Cb 0.00 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1pg4 s ILE 129 CO 0.00 0.22 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.39 1pg4 s LYS 130 N -0.03 1.34 0.11 2.79 1.02 -1.26 -4.23 119.74 119.48 1pg4 s LYS 130 Ca 0.52 -1.68 -0.36 0.00 0.02 0.00 0.00 55.97 54.48 1pg4 s LYS 130 Cb -0.30 -0.63 -0.16 0.00 -0.52 0.00 0.00 37.83 36.22 1pg4 s LYS 130 CO 0.34 -0.09 1.40 1.17 -0.92 0.00 0.00 175.35 177.25 1pg4 n LYS 131 N -0.42 1.41 0.00 1.68 4.81 -1.25 -1.14 118.16 123.25 1pg4 n LYS 131 Ca -0.05 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1pg4 n LYS 131 Cb 0.64 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1pg4 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pg4 n GLY 132 N 2.73 3.19 3.77 3.14 0.00 -0.10 -4.92 105.19 113.00 1pg4 n GLY 132 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1pg4 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 133 N 0.08 5.79 -0.14 1.61 1.01 -0.30 -4.55 116.67 120.17 1pg4 s ASP 133 Ca 0.00 2.28 -0.12 0.00 0.71 0.00 0.00 52.55 55.42 1pg4 s ASP 133 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1pg4 s ASP 133 CO 0.00 -1.17 0.24 -0.69 0.21 0.00 0.00 175.17 173.76 1pg4 s VAL 134 N -1.64 5.33 -0.17 -1.27 1.01 -1.26 -0.30 120.40 122.11 1pg4 s VAL 134 Ca 0.70 0.44 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1pg4 s VAL 134 Cb -0.27 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1pg4 s VAL 134 CO 0.32 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 175.01 1pg4 s VAL 135 N -0.04 2.24 0.03 2.92 1.01 0.22 -1.44 120.40 125.35 1pg4 s VAL 135 Ca 0.15 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1pg4 s VAL 135 Cb -0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1pg4 s VAL 135 CO 0.04 0.53 0.73 0.00 0.00 0.00 0.00 175.10 176.40 1pg4 s ALA 136 N 1.14 3.39 -0.24 5.51 0.00 0.48 -0.34 121.76 131.70 1pg4 s ALA 136 Ca 0.01 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1pg4 s ALA 136 Cb -0.14 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1pg4 s ALA 136 CO -0.08 0.08 -0.08 0.42 0.00 0.00 0.00 175.76 176.10 1pg4 s ILE 137 N -0.06 1.76 -0.75 0.00 1.01 -0.68 -0.31 121.20 122.18 1pg4 s ILE 137 Ca 0.37 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1pg4 s ILE 137 Cb -0.20 -1.95 0.20 0.00 0.01 0.00 0.00 42.46 40.52 1pg4 s ILE 137 CO 0.22 -0.04 0.63 0.00 0.00 0.00 0.00 174.94 175.75 1pg4 n TYR 138 N 4.59 3.53 -4.43 3.97 9.36 0.43 0.28 117.16 134.88 1pg4 n TYR 138 Ca -0.13 -4.20 -0.24 0.00 3.32 0.00 0.00 57.90 56.65 1pg4 n TYR 138 Cb 0.44 -0.74 -0.10 0.00 -0.63 0.00 0.00 39.34 38.30 1pg4 n TYR 138 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1pg4 s MET 139 N -1.69 1.57 0.48 2.98 -1.94 -1.26 -4.05 119.30 115.39 1pg4 s MET 139 Ca 0.28 -1.67 -0.04 0.00 -1.71 0.00 0.00 55.69 52.56 1pg4 s MET 139 Cb -0.01 -1.66 0.10 0.00 2.01 0.00 0.00 34.83 35.27 1pg4 s MET 139 CO -0.12 0.32 0.65 -0.35 -0.01 0.00 0.00 175.02 175.51 1pg4 n PRO 140 N -0.34 -0.19 -2.38 2.03 -0.04 -1.26 -4.37 135.00 128.45 1pg4 n PRO 140 Ca -0.08 -1.41 -0.43 0.00 -0.04 0.00 0.00 63.50 61.55 1pg4 n PRO 140 Cb 0.59 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1pg4 n PRO 140 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pg4 n MET 141 N -2.29 3.19 -4.22 0.54 2.81 -1.26 -4.72 117.12 111.17 1pg4 n MET 141 Ca 0.10 -3.23 -0.17 0.00 -1.81 0.00 0.00 57.70 52.59 1pg4 n MET 141 Cb 0.34 -3.29 -0.11 0.00 -0.71 0.00 0.00 33.22 29.45 1pg4 n MET 141 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pg4 s VAL 142 N 2.98 1.23 0.40 2.03 -7.23 -1.26 -4.03 120.40 114.52 1pg4 s VAL 142 Ca 0.48 -1.67 0.17 0.00 -1.81 0.00 0.00 61.98 59.15 1pg4 s VAL 142 Cb 0.06 -1.46 0.38 0.00 0.56 0.00 0.00 36.38 35.92 1pg4 s VAL 142 CO 0.01 -0.43 1.81 -0.65 -0.31 0.00 0.00 175.10 175.53 1pg4 h PRO 143 N 3.59 0.43 -0.23 4.82 0.11 -1.95 -0.77 132.00 137.99 1pg4 h PRO 143 Ca -0.39 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1pg4 h PRO 143 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1pg4 h PRO 143 CO 0.50 0.28 0.17 0.93 -0.21 0.00 0.00 178.00 179.68 1pg4 h GLU 144 N 0.44 0.00 -0.52 1.05 3.07 -1.96 -0.59 114.58 116.07 1pg4 h GLU 144 Ca 0.53 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.37 1pg4 h GLU 144 Cb 1.28 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1pg4 h GLU 144 CO -0.24 0.00 0.24 0.00 -1.40 0.00 0.00 179.01 177.61 1pg4 h ALA 145 N 1.88 0.67 -0.52 3.43 0.00 -1.42 -0.35 119.26 122.94 1pg4 h ALA 145 Ca 0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1pg4 h ALA 145 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pg4 h ALA 145 CO -0.00 0.24 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 1pg4 h ALA 146 N 1.08 0.80 -0.53 0.00 0.00 -1.27 -1.73 119.26 117.62 1pg4 h ALA 146 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1pg4 h ALA 146 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1pg4 h ALA 146 CO -0.02 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.51 1pg4 h VAL 147 N 0.88 1.10 -0.50 0.00 2.07 -0.92 -0.45 116.25 118.44 1pg4 h VAL 147 Ca 0.14 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1pg4 h VAL 147 Cb 0.67 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1pg4 h VAL 147 CO 0.05 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.92 1pg4 h ALA 148 N 1.21 0.65 -0.05 1.67 0.00 -0.83 -1.13 119.26 120.78 1pg4 h ALA 148 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pg4 h ALA 148 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1pg4 h ALA 148 CO -0.06 0.31 0.02 0.52 0.00 0.00 0.00 179.25 180.03 1pg4 h MET 149 N 0.67 0.08 -0.45 0.00 2.86 -0.99 -2.09 114.93 115.01 1pg4 h MET 149 Ca 0.16 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1pg4 h MET 149 Cb 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1pg4 h MET 149 CO -0.01 0.24 0.12 -0.07 1.06 0.00 0.00 176.91 178.25 1pg4 h LEU 150 N -0.09 0.62 -0.55 1.22 3.38 -1.05 -1.80 115.31 117.03 1pg4 h LEU 150 Ca 0.02 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1pg4 h LEU 150 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pg4 h LEU 150 CO -0.00 0.61 -0.22 0.00 0.09 0.00 0.00 178.44 178.91 1pg4 h ALA 151 N 1.48 0.74 -0.16 1.53 0.00 -1.08 0.64 119.26 122.40 1pg4 h ALA 151 Ca 0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pg4 h ALA 151 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pg4 h ALA 151 CO -0.01 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.97 1pg4 h ALA 153 N 0.89 1.42 -0.89 0.00 0.00 -1.18 0.67 119.26 120.17 1pg4 h ALA 153 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pg4 h ALA 153 Cb 0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1pg4 h ALA 153 CO -0.00 0.49 0.56 -0.09 0.00 0.00 0.00 179.25 180.21 1pg4 h ARG 154 N 1.14 1.20 -0.30 0.00 2.43 -0.48 -2.74 114.38 115.64 1pg4 h ARG 154 Ca 0.36 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1pg4 h ARG 154 Cb 0.01 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1pg4 h ARG 154 CO -0.11 0.82 0.00 0.44 -1.51 0.00 0.00 179.97 179.61 1pg4 n ILE 155 N -4.38 0.37 -0.91 1.20 -5.35 -0.93 -4.30 119.36 105.07 1pg4 n ILE 155 Ca 0.10 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1pg4 n ILE 155 Cb 0.04 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1pg4 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pg4 n GLY 156 N 1.41 0.50 3.74 3.28 0.00 -0.54 -3.80 105.19 109.78 1pg4 n GLY 156 Ca 0.18 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1pg4 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 157 N -2.00 3.34 -0.29 4.61 0.00 0.12 -0.92 121.76 126.62 1pg4 s ALA 157 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1pg4 s ALA 157 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1pg4 s ALA 157 CO 0.00 0.05 1.00 0.08 0.00 0.00 0.00 175.76 176.89 1pg4 s VAL 158 N -0.06 4.62 0.12 0.00 1.01 0.59 -3.96 120.40 122.73 1pg4 s VAL 158 Ca 0.40 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.91 1pg4 s VAL 158 Cb -0.21 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.78 1pg4 s VAL 158 CO 0.24 -0.34 0.56 -1.38 0.00 0.00 0.00 175.10 174.18 1pg4 s HIS 159 N 3.37 3.68 -0.58 5.22 -3.43 -1.12 -0.61 115.29 121.83 1pg4 s HIS 159 Ca 0.42 1.15 0.04 0.00 -0.80 0.00 0.00 55.06 55.88 1pg4 s HIS 159 Cb -0.13 -2.43 0.15 0.00 -1.43 0.00 0.00 32.58 28.74 1pg4 s HIS 159 CO 0.12 0.49 0.36 0.45 -2.00 0.00 0.00 174.74 174.16 1pg4 s SER 160 N -1.47 4.16 0.21 7.38 0.15 0.54 -1.75 113.70 122.91 1pg4 s SER 160 Ca 0.34 -3.32 -0.30 0.00 0.70 0.00 0.00 55.95 53.38 1pg4 s SER 160 Cb -0.17 -1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 62.63 1pg4 s SER 160 CO 0.19 -0.17 1.20 -0.69 1.20 0.00 0.00 173.24 174.97 1pg4 s VAL 161 N -0.66 3.47 -0.16 4.45 1.01 -1.25 -1.68 120.40 125.58 1pg4 s VAL 161 Ca 0.22 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.49 1pg4 s VAL 161 Cb -0.14 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1pg4 s VAL 161 CO -0.09 0.23 -0.17 -0.63 0.00 0.00 0.00 175.10 174.44 1pg4 s ILE 162 N -0.30 1.79 0.19 2.22 1.01 0.14 -4.70 121.20 121.56 1pg4 s ILE 162 Ca 0.51 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 60.07 1pg4 s ILE 162 Cb -0.33 -1.64 -0.15 0.00 0.01 0.00 0.00 42.46 40.35 1pg4 s ILE 162 CO 0.39 0.50 1.30 0.33 0.00 0.00 0.00 174.94 177.46 1pg4 n PHE 163 N 4.65 1.74 0.25 3.97 7.35 -1.26 -4.24 117.46 129.91 1pg4 n PHE 163 Ca -0.19 0.55 0.15 0.00 -0.76 0.00 0.00 57.45 57.20 1pg4 n PHE 163 Cb 0.50 -2.38 0.81 0.00 0.35 0.00 0.00 39.48 38.77 1pg4 n PHE 163 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1pg4 h GLY 164 N 3.97 0.00 1.45 7.13 0.00 -1.93 -1.66 103.07 112.03 1pg4 h GLY 164 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1pg4 h GLY 164 CO 0.74 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.88 1pg4 n GLY 165 N -1.21 -1.22 3.76 4.60 0.00 -1.26 -4.86 105.19 105.00 1pg4 n GLY 165 Ca -0.02 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1pg4 n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pg4 s PHE 166 N -2.48 3.35 0.85 1.61 0.40 -0.63 -4.10 117.98 116.98 1pg4 s PHE 166 Ca 0.31 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 58.10 1pg4 s PHE 166 Cb 0.21 -3.45 0.10 0.00 0.51 0.00 0.00 43.02 40.39 1pg4 s PHE 166 CO 0.45 -1.11 1.13 -1.54 0.70 0.00 0.00 175.22 174.85 1pg4 s SER 167 N -0.73 4.04 0.32 1.36 1.04 -0.65 -4.77 113.70 114.31 1pg4 s SER 167 Ca 0.47 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.96 1pg4 s SER 167 Cb -0.35 -1.66 0.59 0.00 0.10 0.00 0.00 66.02 64.70 1pg4 s SER 167 CO 0.46 -2.23 1.93 -0.65 0.98 0.00 0.00 173.24 173.73 1pg4 h PRO 168 N -1.27 0.92 -0.56 4.02 0.11 -1.81 0.60 132.00 134.01 1pg4 h PRO 168 Ca -0.49 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1pg4 h PRO 168 Cb 1.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1pg4 h PRO 168 CO 0.62 0.61 0.08 1.49 -0.21 0.00 0.00 178.00 180.58 1pg4 h GLU 169 N 0.95 0.93 -0.53 1.05 4.57 -1.83 0.69 114.58 120.41 1pg4 h GLU 169 Ca 0.36 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 1pg4 h GLU 169 Cb 0.20 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1pg4 h GLU 169 CO -0.13 0.90 -0.10 0.00 -1.18 0.00 0.00 179.01 178.50 1pg4 h ALA 170 N 0.99 0.73 -0.42 2.92 0.00 -1.42 -1.68 119.26 120.39 1pg4 h ALA 170 Ca 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pg4 h ALA 170 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pg4 h ALA 170 CO 0.01 0.64 0.15 0.28 0.00 0.00 0.00 179.25 180.33 1pg4 h VAL 171 N 0.88 1.21 -0.80 0.00 2.07 -0.66 -2.37 116.25 116.58 1pg4 h VAL 171 Ca 0.14 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1pg4 h VAL 171 Cb 0.67 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1pg4 h VAL 171 CO 0.05 0.24 0.50 0.00 0.02 0.00 0.00 177.57 178.38 1pg4 h ALA 172 N 0.99 1.06 -0.54 1.67 0.00 -0.72 -1.57 119.26 120.16 1pg4 h ALA 172 Ca 0.14 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1pg4 h ALA 172 Cb 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1pg4 h ALA 172 CO -0.01 0.28 0.27 0.78 0.00 0.00 0.00 179.25 180.58 1pg4 h GLY 173 N 0.95 0.77 0.83 0.00 0.00 -0.88 -0.64 103.07 104.09 1pg4 h GLY 173 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1pg4 h GLY 173 CO -0.13 0.10 0.03 0.00 0.00 0.00 0.00 176.54 176.54 1pg4 h ILE 175 N 0.01 1.26 -0.36 0.00 2.04 -1.08 -1.17 117.51 118.19 1pg4 h ILE 175 Ca 0.04 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1pg4 h ILE 175 Cb 0.25 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1pg4 h ILE 175 CO 0.00 0.27 0.00 0.40 0.00 0.00 0.00 178.15 178.82 1pg4 h ILE 176 N 1.28 1.26 -0.32 -0.67 2.04 -1.06 0.11 117.51 120.15 1pg4 h ILE 176 Ca 0.33 -0.98 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1pg4 h ILE 176 Cb -0.04 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1pg4 h ILE 176 CO -0.06 0.33 -0.25 -0.78 0.00 0.00 0.00 178.15 177.39 1pg4 h ASP 177 N 0.46 0.65 0.22 1.72 1.82 -1.13 -3.16 116.42 116.99 1pg4 h ASP 177 Ca 0.10 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1pg4 h ASP 177 Cb 0.46 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1pg4 h ASP 177 CO 0.02 0.88 -0.54 -1.54 -1.61 0.00 0.00 179.24 176.44 1pg4 n SER 178 N -4.11 1.04 -3.87 2.28 3.41 -0.47 -4.93 113.62 106.98 1pg4 n SER 178 Ca -0.00 -0.83 -0.27 0.00 -0.26 0.00 0.00 58.87 57.51 1pg4 n SER 178 Cb 0.43 0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 1pg4 n SER 178 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pg4 n SER 179 N -1.00 -2.81 -4.72 4.04 7.64 0.38 -4.73 113.62 112.42 1pg4 n SER 179 Ca 0.08 -0.84 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 1pg4 n SER 179 Cb 0.36 -3.75 -0.02 0.00 -1.01 0.00 0.00 64.21 59.79 1pg4 n SER 179 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pg4 n SER 180 N -2.92 3.53 0.05 6.43 7.64 -1.09 -4.68 113.62 122.57 1pg4 n SER 180 Ca -0.12 1.13 0.12 0.00 1.01 0.00 0.00 58.87 61.00 1pg4 n SER 180 Cb 0.60 -1.53 0.09 0.00 -1.01 0.00 0.00 64.21 62.35 1pg4 n SER 180 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pg4 n ARG 181 N 2.47 0.32 -3.78 1.43 1.74 -0.52 -2.74 116.66 115.59 1pg4 n ARG 181 Ca 0.11 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 1pg4 n ARG 181 Cb 0.34 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1pg4 n ARG 181 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pg4 s LEU 182 N -4.19 0.95 -0.09 0.55 2.96 -1.26 -1.17 118.68 116.42 1pg4 s LEU 182 Ca 0.04 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1pg4 s LEU 182 Cb 0.13 1.15 0.01 0.00 0.50 0.00 0.00 46.19 47.98 1pg4 s LEU 182 CO 0.77 -0.37 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.55 1pg4 s VAL 183 N -1.06 1.62 -0.21 1.68 1.01 -0.87 -0.39 120.40 122.19 1pg4 s VAL 183 Ca -0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1pg4 s VAL 183 Cb -0.05 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1pg4 s VAL 183 CO 0.03 0.46 -0.06 -0.63 0.00 0.00 0.00 175.10 174.91 1pg4 s ILE 184 N 0.60 3.34 0.08 2.22 1.01 0.58 -0.72 121.20 128.31 1pg4 s ILE 184 Ca -0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1pg4 s ILE 184 Cb -0.16 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1pg4 s ILE 184 CO 0.05 0.44 0.11 1.07 0.00 0.00 0.00 174.94 176.60 1pg4 n THR 185 N 4.58 0.00 -4.28 2.92 5.66 -0.31 -0.43 114.28 122.42 1pg4 n THR 185 Ca -0.18 -0.42 -0.15 0.00 -3.05 0.00 0.00 64.05 60.24 1pg4 n THR 185 Cb 0.51 0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 69.44 1pg4 n THR 185 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg4 s ALA 186 N -1.91 1.62 0.11 1.79 0.00 -1.26 -0.87 121.76 121.24 1pg4 s ALA 186 Ca 0.07 -1.58 -0.21 0.00 0.00 0.00 0.00 51.96 50.23 1pg4 s ALA 186 Cb -0.00 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 1pg4 s ALA 186 CO 0.05 -0.11 1.72 0.38 0.00 0.00 0.00 175.76 177.80 1pg4 h ASP 187 N 2.68 -0.11 -5.12 0.00 3.04 -1.52 -2.34 116.42 113.05 1pg4 h ASP 187 Ca -0.37 0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.38 1pg4 h ASP 187 Cb 1.20 0.07 -0.14 0.00 -1.04 0.00 0.00 39.33 39.43 1pg4 h ASP 187 CO 0.64 -0.04 -0.25 -1.61 -2.04 0.00 0.00 179.24 175.94 1pg4 s GLU 188 N -6.20 0.93 0.21 4.15 2.02 -1.26 -2.56 118.70 115.99 1pg4 s GLU 188 Ca -0.13 -0.84 0.06 0.00 0.02 0.00 0.00 54.97 54.08 1pg4 s GLU 188 Cb 0.08 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.67 1pg4 s GLU 188 CO 0.67 -0.32 0.15 0.20 0.02 0.00 0.00 175.26 175.97 1pg4 s GLY 189 N -2.80 1.58 -0.18 -1.39 0.00 0.86 -4.50 107.32 100.89 1pg4 s GLY 189 Ca 0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 1pg4 s GLY 189 CO -0.11 -1.36 -0.14 0.14 0.00 0.00 0.00 173.10 171.63 1pg4 s VAL 190 N -1.94 2.68 -0.18 1.40 1.01 -1.26 0.56 120.40 122.68 1pg4 s VAL 190 Ca 0.32 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1pg4 s VAL 190 Cb -0.09 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1pg4 s VAL 190 CO 0.23 0.50 0.37 -0.60 0.00 0.00 0.00 175.10 175.60 1pg4 s ARG 191 N 1.13 0.27 -1.35 2.72 3.52 0.38 -4.60 118.95 121.02 1pg4 s ARG 191 Ca 0.01 0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 56.48 1pg4 s ARG 191 Cb -0.14 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 1pg4 s ARG 191 CO -0.05 -0.26 1.06 0.00 -0.81 0.00 0.00 175.30 175.24 1pg4 n ALA 192 N 5.33 -1.53 -0.89 6.12 0.00 -1.26 -1.70 120.51 126.58 1pg4 n ALA 192 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pg4 n ALA 192 Cb 0.50 -4.28 0.00 0.00 0.00 0.00 0.00 19.45 15.66 1pg4 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg4 n GLY 193 N -1.71 0.67 3.62 0.00 0.00 -1.26 -5.00 105.19 101.51 1pg4 n GLY 193 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1pg4 n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg4 s ARG 194 N -0.32 2.26 -0.20 1.61 0.52 -0.69 -5.11 118.95 117.02 1pg4 s ARG 194 Ca 0.00 -1.16 -0.09 0.00 -0.52 0.00 0.00 55.73 53.97 1pg4 s ARG 194 Cb 0.00 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1pg4 s ARG 194 CO 0.00 0.45 0.10 -1.12 0.02 0.00 0.00 175.30 174.75 1pg4 s SER 195 N -2.84 5.81 -0.24 0.23 0.01 -1.26 -0.47 113.70 114.93 1pg4 s SER 195 Ca 0.26 0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.56 1pg4 s SER 195 Cb -0.09 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 1pg4 s SER 195 CO 0.17 0.14 0.03 -0.63 0.41 0.00 0.00 173.24 173.37 1pg4 s ILE 196 N 0.58 4.05 0.41 1.44 1.01 0.19 -4.90 121.20 123.98 1pg4 s ILE 196 Ca 0.05 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 1pg4 s ILE 196 Cb -0.12 -2.87 -0.10 0.00 0.01 0.00 0.00 42.46 39.38 1pg4 s ILE 196 CO 0.01 0.37 1.42 -2.16 0.00 0.00 0.00 174.94 174.58 1pg4 s PRO 197 N 1.51 3.95 0.11 2.79 0.04 -1.26 -0.10 135.00 142.04 1pg4 s PRO 197 Ca 0.06 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1pg4 s PRO 197 Cb -0.15 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1pg4 s PRO 197 CO 0.02 -0.61 0.00 1.28 0.04 0.00 0.00 177.00 177.73 1pg4 n LEU 198 N 0.19 0.13 -0.24 -3.56 4.77 -1.12 -4.73 117.00 112.45 1pg4 n LEU 198 Ca 0.03 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1pg4 n LEU 198 Cb 0.41 0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1pg4 n LEU 198 CO 0.60 -0.55 1.10 0.50 -1.33 0.00 0.00 177.39 177.72 1pg4 h LYS 199 N 0.00 0.70 -0.79 3.23 1.63 -1.13 -0.61 116.57 119.60 1pg4 h LYS 199 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1pg4 h LYS 199 Cb 0.18 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 1pg4 h LYS 199 CO 0.00 0.46 0.51 -0.22 -3.45 0.00 0.00 179.45 176.76 1pg4 h LYS 200 N 0.72 1.05 -0.59 1.90 3.64 -1.88 0.74 116.57 122.15 1pg4 h LYS 200 Ca 0.30 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1pg4 h LYS 200 Cb 0.16 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1pg4 h LYS 200 CO -0.17 0.71 0.08 -0.91 -2.27 0.00 0.00 179.45 176.89 1pg4 h ASN 201 N 1.08 0.92 -0.39 4.20 2.35 -1.46 -1.22 115.58 121.06 1pg4 h ASN 201 Ca 0.29 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1pg4 h ASN 201 Cb -0.10 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1pg4 h ASN 201 CO -0.06 0.93 -0.00 0.58 -1.65 0.00 0.00 177.43 177.23 1pg4 h VAL 202 N 0.90 1.26 -0.30 2.81 2.07 0.05 -0.33 116.25 122.71 1pg4 h VAL 202 Ca 0.18 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1pg4 h VAL 202 Cb 0.42 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1pg4 h VAL 202 CO 0.01 0.34 -0.02 0.44 0.02 0.00 0.00 177.57 178.36 1pg4 h ASP 203 N 0.52 -0.17 -0.14 0.57 3.32 -0.56 0.58 116.42 120.53 1pg4 h ASP 203 Ca 0.11 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1pg4 h ASP 203 Cb 0.48 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1pg4 h ASP 203 CO 0.02 -0.05 -0.09 0.44 -1.72 0.00 0.00 179.24 177.84 1pg4 h ASP 204 N 0.06 0.45 -0.36 6.45 3.45 -1.05 -2.73 116.42 122.69 1pg4 h ASP 204 Ca 0.15 -0.10 -0.15 0.00 0.43 0.00 0.00 57.03 57.35 1pg4 h ASP 204 Cb 0.21 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1pg4 h ASP 204 CO -0.27 0.58 -0.36 0.00 -1.57 0.00 0.00 179.24 177.63 1pg4 h ALA 205 N 1.47 0.63 0.00 3.45 0.00 -0.17 -2.92 119.26 121.73 1pg4 h ALA 205 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pg4 h ALA 205 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pg4 h ALA 205 CO 0.02 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1pg4 n LEU 206 N -4.06 0.00 0.08 0.00 4.77 0.11 -2.18 117.00 115.71 1pg4 n LEU 206 Ca -0.02 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1pg4 n LEU 206 Cb 0.53 -0.36 0.47 0.00 -2.33 0.00 0.00 43.42 41.72 1pg4 n LEU 206 CO 0.48 -0.12 0.90 0.29 -1.33 0.00 0.00 177.39 177.61 1pg4 n LYS 207 N -1.36 0.18 -1.88 3.23 5.02 -1.08 -4.75 118.16 117.53 1pg4 n LYS 207 Ca 0.08 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1pg4 n LYS 207 Cb 0.19 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1pg4 n LYS 207 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1pg4 s ASN 208 N -4.07 6.58 0.65 4.39 3.84 -0.93 -4.84 114.94 120.56 1pg4 s ASN 208 Ca 0.11 2.43 0.35 0.00 0.21 0.00 0.00 52.86 55.96 1pg4 s ASN 208 Cb 0.14 -2.54 1.91 0.00 -0.55 0.00 0.00 41.25 40.21 1pg4 s ASN 208 CO 0.56 -0.96 2.07 1.55 -2.79 0.00 0.00 177.10 177.53 1pg4 h PRO 209 N 9.70 0.00 -0.00 0.43 0.13 -1.90 -0.33 132.00 140.02 1pg4 h PRO 209 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pg4 h PRO 209 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pg4 h PRO 209 CO 0.95 0.00 -0.12 0.09 -0.23 0.00 0.00 178.00 178.69 1pg4 n ASN 210 N -2.92 0.16 -4.49 1.44 3.02 -1.26 -4.65 115.26 106.56 1pg4 n ASN 210 Ca -0.02 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.24 1pg4 n ASN 210 Cb 0.25 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1pg4 n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pg4 s VAL 211 N -2.89 4.63 0.00 2.41 1.01 -0.14 -4.80 120.40 120.63 1pg4 s VAL 211 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1pg4 s VAL 211 Cb 0.19 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1pg4 s VAL 211 CO 0.55 -0.93 0.33 0.35 0.00 0.00 0.00 175.10 175.40 1pg4 n THR 212 N 5.93 0.07 0.08 3.92 -2.24 -1.26 -4.80 114.28 115.97 1pg4 n THR 212 Ca -0.02 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1pg4 n THR 212 Cb 0.47 1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 1pg4 n THR 212 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pg4 n SER 213 N -0.03 0.77 -4.64 3.42 3.41 -1.26 -4.90 113.62 110.39 1pg4 n SER 213 Ca 0.00 0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 58.49 1pg4 n SER 213 Cb 0.14 0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 64.60 1pg4 n SER 213 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pg4 s VAL 214 N -3.29 4.13 -0.15 -3.33 1.01 -1.11 -4.05 120.40 113.61 1pg4 s VAL 214 Ca -0.02 1.32 0.15 0.00 0.00 0.00 0.00 61.98 63.44 1pg4 s VAL 214 Cb 0.10 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 32.22 1pg4 s VAL 214 CO 0.80 -0.30 0.26 -0.62 0.00 0.00 0.00 175.10 175.25 1pg4 n GLU 215 N 7.05 0.67 -3.87 2.72 1.02 -0.32 -4.98 120.64 122.93 1pg4 n GLU 215 Ca 0.15 0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1pg4 n GLU 215 Cb 0.46 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1pg4 n GLU 215 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pg4 s HIS 216 N -2.53 0.20 -0.13 -0.32 3.76 -1.24 -4.61 115.29 110.42 1pg4 s HIS 216 Ca -0.09 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1pg4 s HIS 216 Cb 0.07 -0.03 0.04 0.00 1.11 0.00 0.00 32.58 33.77 1pg4 s HIS 216 CO 0.82 -0.61 0.01 0.08 -0.85 0.00 0.00 174.74 174.18 1pg4 s VAL 217 N -3.89 0.52 -0.12 -0.90 1.01 -0.53 -2.05 120.40 114.44 1pg4 s VAL 217 Ca 0.09 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1pg4 s VAL 217 Cb 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1pg4 s VAL 217 CO -0.07 0.05 0.51 -0.63 0.00 0.00 0.00 175.10 174.96 1pg4 s ILE 218 N 1.89 5.16 -0.14 2.22 1.01 0.10 -1.12 121.20 130.32 1pg4 s ILE 218 Ca 0.02 1.02 0.02 0.00 0.00 0.00 0.00 60.65 61.72 1pg4 s ILE 218 Cb -0.15 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1pg4 s ILE 218 CO -0.07 0.30 -0.21 -0.69 0.00 0.00 0.00 174.94 174.28 1pg4 s VAL 219 N 0.73 2.14 -0.04 2.92 1.01 0.12 -1.16 120.40 126.13 1pg4 s VAL 219 Ca 0.27 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1pg4 s VAL 219 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1pg4 s VAL 219 CO 0.11 0.54 0.58 -0.22 0.00 0.00 0.00 175.10 176.12 1pg4 s LEU 220 N 0.84 4.37 -0.66 3.92 2.96 -0.05 -0.73 118.68 129.33 1pg4 s LEU 220 Ca -0.06 1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 54.70 1pg4 s LEU 220 Cb -0.15 -2.88 0.07 0.00 0.50 0.00 0.00 46.19 43.72 1pg4 s LEU 220 CO -0.02 0.04 0.97 -0.75 -1.32 0.00 0.00 176.35 175.28 1pg4 s LYS 221 N 0.16 3.12 -0.22 1.98 2.20 -1.26 -1.23 119.74 124.49 1pg4 s LYS 221 Ca 0.31 -0.79 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1pg4 s LYS 221 Cb -0.17 -4.22 -0.21 0.00 -1.51 0.00 0.00 37.83 31.72 1pg4 s LYS 221 CO 0.16 -1.82 -0.03 -2.13 -0.36 0.00 0.00 175.35 171.16 1pg4 n ARG 222 N 7.76 0.67 0.00 4.03 3.00 -1.26 -4.72 116.66 126.15 1pg4 n ARG 222 Ca -0.03 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1pg4 n ARG 222 Cb 0.46 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1pg4 n ARG 222 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pg4 n THR 223 N -3.10 0.00 -1.23 5.15 -2.24 -1.26 -5.01 114.28 106.59 1pg4 n THR 223 Ca -0.39 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 1pg4 n THR 223 Cb 1.05 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 1pg4 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 224 N 1.43 0.97 3.76 3.38 0.00 -1.26 -4.99 105.19 108.47 1pg4 n GLY 224 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1pg4 n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg4 s SER 225 N -2.69 4.73 -0.06 1.61 0.01 -1.26 -4.94 113.70 111.11 1pg4 s SER 225 Ca 0.00 1.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.93 1pg4 s SER 225 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1pg4 s SER 225 CO 0.00 -1.88 1.55 -1.81 0.41 0.00 0.00 173.24 171.50 1pg4 s ASP 226 N -2.86 6.74 0.23 2.44 1.01 -1.26 -4.99 116.67 117.99 1pg4 s ASP 226 Ca 0.65 2.13 0.05 0.00 0.71 0.00 0.00 52.55 56.09 1pg4 s ASP 226 Cb -0.20 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1pg4 s ASP 226 CO 0.48 -0.86 -0.03 0.27 0.21 0.00 0.00 175.17 175.23 1pg4 s ILE 227 N 3.61 1.22 0.50 0.77 -4.36 -1.26 -5.10 121.20 116.58 1pg4 s ILE 227 Ca 0.69 -2.06 -0.09 0.00 -0.26 0.00 0.00 60.65 58.92 1pg4 s ILE 227 Cb -0.31 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 1pg4 s ILE 227 CO 0.27 -0.37 0.86 -1.81 0.24 0.00 0.00 174.94 174.12 1pg4 s ASP 228 N -3.33 6.36 -0.04 4.36 -0.00 -1.26 -5.09 116.67 117.68 1pg4 s ASP 228 Ca 0.27 1.16 -0.02 0.00 -0.00 0.00 0.00 52.55 53.96 1pg4 s ASP 228 Cb 0.05 -2.35 0.03 0.00 -0.00 0.00 0.00 42.92 40.65 1pg4 s ASP 228 CO 0.09 -0.60 0.09 0.86 -0.00 0.00 0.00 175.17 175.61 1pg4 s TRP 229 N -2.74 -0.08 -0.39 4.23 -0.11 -1.26 -5.03 118.94 113.56 1pg4 s TRP 229 Ca 0.51 0.30 -0.09 0.00 1.22 0.00 0.00 56.10 58.04 1pg4 s TRP 229 Cb -0.10 -0.09 0.06 0.00 -1.50 0.00 0.00 33.47 31.83 1pg4 s TRP 229 CO 0.42 -0.11 0.22 -1.14 -4.62 0.00 0.00 176.95 171.72 1pg4 s GLN 230 N 0.81 2.68 0.37 5.86 2.00 -1.26 -5.05 119.66 125.07 1pg4 s GLN 230 Ca -0.06 -1.29 -0.25 0.00 -2.00 0.00 0.00 55.36 51.75 1pg4 s GLN 230 Cb -0.09 -3.72 -0.12 0.00 0.80 0.00 0.00 33.01 29.89 1pg4 s GLN 230 CO -0.03 -0.83 0.93 -0.85 -0.50 0.00 0.00 175.29 174.01 1pg4 n GLU 231 N 4.93 1.21 0.00 1.67 0.28 -1.26 -1.25 120.64 126.22 1pg4 n GLU 231 Ca -0.11 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1pg4 n GLU 231 Cb 0.44 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1pg4 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pg4 n GLY 232 N 1.30 1.76 0.07 -1.84 0.00 -1.26 -4.61 105.19 100.60 1pg4 n GLY 232 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1pg4 n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pg4 h ARG 233 N 0.00 0.02 -6.54 1.61 2.43 -1.72 -3.46 114.38 106.71 1pg4 h ARG 233 Ca 0.00 -0.02 -0.52 0.00 -0.81 0.00 0.00 59.98 58.63 1pg4 h ARG 233 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1pg4 h ARG 233 CO 0.00 0.83 0.23 -0.51 -1.51 0.00 0.00 179.97 179.01 1pg4 s ASP 234 N -6.06 7.43 0.00 -3.80 1.01 -0.38 -1.45 116.67 113.41 1pg4 s ASP 234 Ca -0.18 1.69 -0.01 0.00 0.71 0.00 0.00 52.55 54.77 1pg4 s ASP 234 Cb -0.01 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1pg4 s ASP 234 CO 0.69 0.15 0.01 -0.76 0.21 0.00 0.00 175.17 175.47 1pg4 s LEU 235 N -0.90 2.00 0.06 1.23 1.43 -0.27 -4.87 118.68 117.36 1pg4 s LEU 235 Ca 0.38 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 1pg4 s LEU 235 Cb -0.23 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.02 1pg4 s LEU 235 CO 0.27 -0.09 0.86 0.26 0.23 0.00 0.00 176.35 177.88 1pg4 s TRP 236 N -0.40 3.76 0.15 0.29 0.52 -1.26 0.13 118.94 122.12 1pg4 s TRP 236 Ca -0.04 1.62 -0.23 0.00 0.02 0.00 0.00 56.10 57.46 1pg4 s TRP 236 Cb -0.03 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.37 1pg4 s TRP 236 CO -0.00 0.22 1.63 2.35 0.02 0.00 0.00 176.95 181.16 1pg4 h TRP 237 N 5.75 -0.67 -0.55 -1.98 2.91 -1.28 -2.36 115.95 117.77 1pg4 h TRP 237 Ca -0.43 0.04 0.04 0.00 1.13 0.00 0.00 58.89 59.67 1pg4 h TRP 237 Cb 1.21 0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 30.14 1pg4 h TRP 237 CO 0.65 -0.33 0.30 -0.09 -1.03 0.00 0.00 178.44 177.94 1pg4 h ARG 238 N -0.27 0.56 -0.97 2.65 2.43 -1.94 -1.30 114.38 115.54 1pg4 h ARG 238 Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1pg4 h ARG 238 Cb 0.47 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1pg4 h ARG 238 CO -0.38 0.37 0.64 -0.44 -1.51 0.00 0.00 179.97 178.65 1pg4 h ASP 239 N 0.58 1.09 0.02 -3.80 3.32 -1.86 -2.30 116.42 113.47 1pg4 h ASP 239 Ca 0.24 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1pg4 h ASP 239 Cb 0.12 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1pg4 h ASP 239 CO -0.15 0.78 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.07 1pg4 h LEU 240 N 1.28 -0.02 -1.16 1.55 3.38 -0.99 -3.33 115.31 116.02 1pg4 h LEU 240 Ca 0.37 -0.65 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1pg4 h LEU 240 Cb -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pg4 h LEU 240 CO -0.09 0.66 -0.38 -0.29 0.09 0.00 0.00 178.44 178.42 1pg4 h ILE 241 N -0.72 1.29 0.00 1.22 2.10 -1.25 -2.94 117.51 117.21 1pg4 h ILE 241 Ca -0.00 -1.36 -0.02 0.00 1.08 0.00 0.00 64.86 64.55 1pg4 h ILE 241 Cb 0.67 1.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.10 1pg4 h ILE 241 CO 0.00 0.39 -0.11 -0.33 -1.08 0.00 0.00 178.15 177.03 1pg4 h GLU 242 N 0.05 0.00 -0.00 2.19 5.08 -1.55 -2.82 114.58 117.53 1pg4 h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pg4 h GLU 242 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pg4 h GLU 242 CO 0.05 0.11 -0.86 0.36 -1.00 0.00 0.00 179.01 177.67 1pg4 n LYS 243 N -3.31 0.28 -2.59 2.33 2.85 -1.13 -4.96 118.16 111.63 1pg4 n LYS 243 Ca -0.00 -0.23 -0.33 0.00 -1.05 0.00 0.00 58.31 56.70 1pg4 n LYS 243 Cb 0.33 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.16 1pg4 n LYS 243 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pg4 s ALA 244 N -2.88 3.05 0.16 0.58 0.00 -1.07 -5.03 121.76 116.58 1pg4 s ALA 244 Ca 0.11 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1pg4 s ALA 244 Cb 0.17 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1pg4 s ALA 244 CO 0.79 -0.07 1.04 0.45 0.00 0.00 0.00 175.76 177.97 1pg4 s SER 245 N -2.65 7.38 0.00 0.00 0.15 -1.26 -4.90 113.70 112.41 1pg4 s SER 245 Ca 0.60 1.98 0.11 0.00 0.70 0.00 0.00 55.95 59.34 1pg4 s SER 245 Cb -0.10 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.20 1pg4 s SER 245 CO 0.23 -0.13 1.39 -0.81 1.20 0.00 0.00 173.24 175.11 1pg4 n PRO 246 N 2.42 1.09 -3.67 5.44 -0.04 -1.26 -3.67 135.00 135.30 1pg4 n PRO 246 Ca 0.02 -0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1pg4 n PRO 246 Cb 0.47 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 1pg4 n PRO 246 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pg4 s GLU 247 N -1.96 3.66 -0.19 0.54 0.41 -1.26 -4.61 118.70 115.29 1pg4 s GLU 247 Ca 0.16 -0.50 -0.09 0.00 -0.41 0.00 0.00 54.97 54.14 1pg4 s GLU 247 Cb 0.08 -3.51 0.07 0.00 -1.78 0.00 0.00 34.13 28.99 1pg4 s GLU 247 CO 0.13 -0.26 0.43 -1.58 -0.49 0.00 0.00 175.26 173.49 1pg4 s HIS 248 N 1.66 -0.71 -0.18 1.61 2.46 -1.26 -4.96 115.29 113.92 1pg4 s HIS 248 Ca 0.06 1.43 -0.19 0.00 0.47 0.00 0.00 55.06 56.84 1pg4 s HIS 248 Cb -0.16 0.30 -0.03 0.00 -0.13 0.00 0.00 32.58 32.56 1pg4 s HIS 248 CO 0.07 -0.41 0.53 -0.65 -2.47 0.00 0.00 174.74 171.81 1pg4 s GLN 249 N 1.94 4.24 0.07 2.88 -1.52 -1.26 -5.01 119.66 121.00 1pg4 s GLN 249 Ca -0.06 0.47 -0.31 0.00 -1.95 0.00 0.00 55.36 53.51 1pg4 s GLN 249 Cb -0.10 -3.53 -0.07 0.00 -0.22 0.00 0.00 33.01 29.09 1pg4 s GLN 249 CO -0.13 -0.08 1.41 -2.14 -0.25 0.00 0.00 175.29 174.09 1pg4 s PRO 250 N 1.41 4.30 0.38 2.91 0.02 -1.26 -5.01 135.00 137.75 1pg4 s PRO 250 Ca 0.26 2.05 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 1pg4 s PRO 250 Cb -0.15 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 1pg4 s PRO 250 CO 0.10 -0.50 0.65 -1.21 -0.33 0.00 0.00 177.00 175.71 1pg4 s GLU 251 N 1.68 3.57 0.14 5.54 0.41 -1.26 -5.05 118.70 123.72 1pg4 s GLU 251 Ca 0.65 0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.93 1pg4 s GLU 251 Cb -0.35 -2.54 -0.06 0.00 -1.78 0.00 0.00 34.13 29.40 1pg4 s GLU 251 CO 0.29 0.03 0.95 0.00 -0.49 0.00 0.00 175.26 176.04 1pg4 s ALA 252 N -2.40 3.27 0.02 5.21 0.00 -1.26 -4.65 121.76 121.96 1pg4 s ALA 252 Ca 0.45 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1pg4 s ALA 252 Cb -0.10 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1pg4 s ALA 252 CO 0.37 0.03 -0.12 -1.64 0.00 0.00 0.00 175.76 174.40 1pg4 s MET 253 N -0.26 2.33 0.57 0.00 -1.94 0.77 -4.87 119.30 115.89 1pg4 s MET 253 Ca 0.45 -0.85 -0.18 0.00 -1.71 0.00 0.00 55.69 53.40 1pg4 s MET 253 Cb -0.24 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 1pg4 s MET 253 CO 0.30 0.57 1.11 -0.80 -0.01 0.00 0.00 175.02 176.19 1pg4 s ASN 254 N -1.45 5.62 0.41 3.03 -0.87 -1.26 -0.46 114.94 119.96 1pg4 s ASN 254 Ca 0.16 2.10 0.12 0.00 -1.57 0.00 0.00 52.86 53.66 1pg4 s ASN 254 Cb -0.11 -2.57 0.95 0.00 -0.02 0.00 0.00 41.25 39.50 1pg4 s ASN 254 CO 0.07 -1.28 1.96 0.00 -2.57 0.00 0.00 177.10 175.28 1pg4 h ALA 255 N 0.90 1.93 -0.55 0.60 0.00 -1.52 -1.34 119.26 119.29 1pg4 h ALA 255 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pg4 h ALA 255 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pg4 h ALA 255 CO 0.56 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 180.13 1pg4 n GLU 256 N -4.48 3.16 -2.38 0.00 -0.58 -1.26 -0.71 120.64 114.39 1pg4 n GLU 256 Ca 0.11 -2.34 -0.40 0.00 -0.42 0.00 0.00 57.16 54.10 1pg4 n GLU 256 Cb 0.35 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.43 1pg4 n GLU 256 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pg4 s ASP 257 N -0.84 7.14 0.33 1.62 1.01 -0.50 -4.76 116.67 120.67 1pg4 s ASP 257 Ca 0.42 2.37 -0.29 0.00 0.71 0.00 0.00 52.55 55.76 1pg4 s ASP 257 Cb 0.27 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 1pg4 s ASP 257 CO 0.21 -0.24 1.55 -2.16 0.21 0.00 0.00 175.17 174.73 1pg4 s PRO 258 N -1.49 4.12 -0.19 8.23 0.04 -1.26 -2.30 135.00 142.16 1pg4 s PRO 258 Ca 0.46 2.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.96 1pg4 s PRO 258 Cb -0.34 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 1pg4 s PRO 258 CO 0.44 -0.59 -0.27 -0.11 0.04 0.00 0.00 177.00 176.51 1pg4 n LEU 259 N 1.41 1.55 -3.66 -3.56 7.94 0.03 -4.66 117.00 116.06 1pg4 n LEU 259 Ca 0.05 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 1pg4 n LEU 259 Cb 0.38 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 43.68 1pg4 n LEU 259 CO 0.64 0.23 0.37 0.72 -1.11 0.00 0.00 177.39 178.24 1pg4 s PHE 260 N -2.46 -0.29 -0.01 1.96 -0.12 -1.06 -2.81 117.98 113.19 1pg4 s PHE 260 Ca -0.28 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 1pg4 s PHE 260 Cb 0.09 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1pg4 s PHE 260 CO 0.36 -0.98 -0.15 0.42 -0.05 0.00 0.00 175.22 174.82 1pg4 s ILE 261 N -3.84 1.16 -0.11 -4.49 1.01 -0.72 -1.37 121.20 112.84 1pg4 s ILE 261 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1pg4 s ILE 261 Cb -0.02 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1pg4 s ILE 261 CO -0.04 0.33 -0.02 -0.76 0.00 0.00 0.00 174.94 174.45 1pg4 s LEU 262 N -0.31 0.94 0.00 2.97 1.43 -0.61 -3.88 118.68 119.22 1pg4 s LEU 262 Ca 0.05 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1pg4 s LEU 262 Cb -0.06 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 1pg4 s LEU 262 CO -0.00 -0.18 1.35 -0.31 0.23 0.00 0.00 176.35 177.43 1pg4 s TYR 263 N 1.84 2.99 -0.03 0.29 1.51 -1.26 -1.16 117.35 121.53 1pg4 s TYR 263 Ca 0.04 0.94 0.04 0.00 -1.01 0.00 0.00 57.07 57.08 1pg4 s TYR 263 Cb -0.13 -3.60 -0.00 0.00 -0.11 0.00 0.00 41.96 38.11 1pg4 s TYR 263 CO -0.07 -2.14 -0.16 0.99 -1.11 0.00 0.00 175.55 173.06 1pg4 s THR 264 N 2.18 1.33 0.33 -0.71 2.01 0.09 -4.87 115.64 116.00 1pg4 s THR 264 Ca 0.62 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 1pg4 s THR 264 Cb -0.30 -1.14 -0.10 0.00 0.01 0.00 0.00 72.50 70.97 1pg4 s THR 264 CO 0.26 0.39 1.22 -0.44 -0.69 0.00 0.00 174.62 175.36 1pg4 s SER 265 N -0.04 6.89 0.43 3.53 0.01 -1.26 -1.95 113.70 121.31 1pg4 s SER 265 Ca -0.01 2.51 0.05 0.00 1.31 0.00 0.00 55.95 59.81 1pg4 s SER 265 Cb -0.10 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 1pg4 s SER 265 CO 0.01 -0.43 0.02 -0.83 0.41 0.00 0.00 173.24 172.42 1pg4 s GLY 266 N -0.70 2.60 0.51 3.44 0.00 -1.26 -4.78 107.32 107.13 1pg4 s GLY 266 Ca 0.49 -1.69 0.17 0.00 0.00 0.00 0.00 44.72 43.69 1pg4 s GLY 266 CO 0.47 -2.07 2.10 0.23 0.00 0.00 0.00 173.10 173.83 1pg4 h SER 267 N 1.70 0.06 -4.73 1.64 0.87 -1.94 -3.39 113.55 107.76 1pg4 h SER 267 Ca -0.43 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.90 1pg4 h SER 267 Cb 1.26 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.06 1pg4 h SER 267 CO 0.76 0.04 -0.68 0.42 -0.53 0.00 0.00 176.83 176.84 1pg4 s THR 268 N -5.11 0.58 0.19 2.23 -4.23 -1.26 -4.13 115.64 103.90 1pg4 s THR 268 Ca -0.05 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1pg4 s THR 268 Cb 0.18 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1pg4 s THR 268 CO 0.69 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1pg4 n GLY 269 N -0.10 -1.62 3.90 3.99 0.00 -1.26 -4.88 105.19 105.21 1pg4 n GLY 269 Ca -0.10 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1pg4 n GLY 269 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg4 s LYS 270 N -1.30 2.39 0.39 1.61 0.00 -1.26 -4.24 119.74 117.32 1pg4 s LYS 270 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 55.97 55.92 1pg4 s LYS 270 Cb 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 37.83 35.71 1pg4 s LYS 270 CO 0.00 -1.30 1.34 -2.30 0.00 0.00 0.00 175.35 173.09 1pg4 n PRO 271 N -3.12 2.19 -4.24 1.78 -0.02 -1.26 -4.68 135.00 125.64 1pg4 n PRO 271 Ca 0.07 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 1pg4 n PRO 271 Cb 0.59 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1pg4 n PRO 271 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pg4 s LYS 272 N -2.10 2.23 -0.80 -0.52 -0.14 -0.82 -4.76 119.74 112.82 1pg4 s LYS 272 Ca 0.57 -0.97 -0.25 0.00 -1.36 0.00 0.00 55.97 53.96 1pg4 s LYS 272 Cb -0.52 -2.36 0.05 0.00 -1.68 0.00 0.00 37.83 33.32 1pg4 s LYS 272 CO 0.61 0.52 1.27 0.20 -0.76 0.00 0.00 175.35 177.18 1pg4 s GLY 273 N -2.15 1.09 -0.05 -3.33 0.00 -1.26 -0.73 107.32 100.89 1pg4 s GLY 273 Ca 0.22 -1.72 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1pg4 s GLY 273 CO 0.14 2.54 1.57 0.14 0.00 0.00 0.00 173.10 177.49 1pg4 s VAL 274 N 5.16 3.64 -0.18 1.40 1.01 -0.31 0.12 120.40 131.24 1pg4 s VAL 274 Ca 0.36 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 1pg4 s VAL 274 Cb -0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1pg4 s VAL 274 CO 0.07 -0.06 0.06 -0.22 0.00 0.00 0.00 175.10 174.95 1pg4 s LEU 275 N 3.58 3.80 -0.03 3.92 0.20 -0.41 -1.58 118.68 128.16 1pg4 s LEU 275 Ca 0.70 0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.64 1pg4 s LEU 275 Cb -0.32 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.46 1pg4 s LEU 275 CO 0.27 0.18 -0.15 -1.00 -0.29 0.00 0.00 176.35 175.37 1pg4 s HIS 276 N 0.32 2.67 0.00 5.38 3.76 -0.47 -1.48 115.29 125.47 1pg4 s HIS 276 Ca 0.03 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1pg4 s HIS 276 Cb -0.12 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1pg4 s HIS 276 CO 0.00 0.20 0.00 0.25 -0.85 0.00 0.00 174.74 174.34 1pg4 n THR 277 N 2.14 0.00 -0.07 1.30 -2.24 -1.26 -0.79 114.28 113.36 1pg4 n THR 277 Ca -0.17 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1pg4 n THR 277 Cb 0.52 -1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 1pg4 n THR 277 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1pg4 n THR 278 N -0.23 1.27 0.03 4.28 -1.04 -0.85 -4.34 114.28 113.40 1pg4 n THR 278 Ca 0.00 0.22 -0.01 0.00 -2.04 0.00 0.00 64.05 62.22 1pg4 n THR 278 Cb 0.00 -2.26 -0.01 0.00 -1.82 0.00 0.00 70.33 66.24 1pg4 n THR 278 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1pg4 h GLY 279 N -0.87 -0.60 0.59 3.41 0.00 -1.18 -1.86 103.07 102.55 1pg4 h GLY 279 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.67 1pg4 h GLY 279 CO 0.00 -0.22 0.45 -1.33 0.00 0.00 0.00 176.54 175.44 1pg4 h GLY 280 N -0.09 1.20 0.66 4.60 0.00 -1.78 -1.45 103.07 106.21 1pg4 h GLY 280 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1pg4 h GLY 280 CO -0.00 0.15 -0.11 -1.82 0.00 0.00 0.00 176.54 174.76 1pg4 h TYR 281 N 0.78 -0.27 -0.40 5.60 3.20 -1.57 -0.46 116.97 123.85 1pg4 h TYR 281 Ca 0.37 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.14 1pg4 h TYR 281 Cb 0.29 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1pg4 h TYR 281 CO -0.06 -0.17 -0.21 1.25 -1.64 0.00 0.00 178.16 177.33 1pg4 h LEU 282 N -0.16 0.79 -0.29 2.82 5.85 -0.98 -0.29 115.31 123.05 1pg4 h LEU 282 Ca 0.06 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1pg4 h LEU 282 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1pg4 h LEU 282 CO -0.15 0.99 0.15 0.58 -0.34 0.00 0.00 178.44 179.67 1pg4 h VAL 283 N 0.69 1.15 -0.62 1.05 2.07 -1.09 -1.46 116.25 118.03 1pg4 h VAL 283 Ca 0.10 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1pg4 h VAL 283 Cb 0.72 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1pg4 h VAL 283 CO 0.06 0.15 0.09 0.22 0.02 0.00 0.00 177.57 178.10 1pg4 h TYR 284 N 0.34 1.11 -0.45 1.57 5.03 -0.87 0.37 116.97 124.07 1pg4 h TYR 284 Ca 0.10 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.19 1pg4 h TYR 284 Cb 0.10 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1pg4 h TYR 284 CO -0.02 0.95 0.04 0.00 -1.32 0.00 0.00 178.16 177.80 1pg4 h ALA 285 N 1.02 0.61 -0.37 1.82 0.00 -0.93 -0.32 119.26 121.08 1pg4 h ALA 285 Ca 0.19 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1pg4 h ALA 285 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pg4 h ALA 285 CO 0.01 0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.38 1pg4 h ALA 286 N 0.93 0.53 -0.08 0.00 0.00 -1.14 -1.64 119.26 117.87 1pg4 h ALA 286 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pg4 h ALA 286 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1pg4 h ALA 286 CO 0.02 0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.97 1pg4 h THR 287 N 0.63 1.20 -0.55 0.00 2.02 -0.83 -1.58 112.91 113.79 1pg4 h THR 287 Ca 0.07 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1pg4 h THR 287 Cb 0.82 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1pg4 h THR 287 CO 0.07 0.17 0.14 0.71 0.37 0.00 0.00 175.52 176.98 1pg4 h THR 288 N -0.08 1.24 0.00 3.16 1.35 -1.10 -2.46 112.91 115.02 1pg4 h THR 288 Ca 0.03 -0.87 0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1pg4 h THR 288 Cb 0.25 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1pg4 h THR 288 CO 0.00 0.32 -0.04 0.15 -0.25 0.00 0.00 175.52 175.70 1pg4 h PHE 289 N 0.79 -0.10 0.12 4.73 3.57 -1.24 -1.10 116.94 123.72 1pg4 h PHE 289 Ca 0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1pg4 h PHE 289 Cb 0.33 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1pg4 h PHE 289 CO 0.02 -0.06 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.74 1pg4 h LYS 290 N -0.07 -0.20 0.11 1.11 3.64 -1.23 -2.30 116.57 117.64 1pg4 h LYS 290 Ca 0.02 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.14 1pg4 h LYS 290 Cb 0.09 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1pg4 h LYS 290 CO -0.04 -0.13 -1.19 1.88 -2.27 0.00 0.00 179.45 177.70 1pg4 h TYR 291 N -0.20 0.65 -0.07 1.91 0.99 -1.46 -0.32 116.97 118.47 1pg4 h TYR 291 Ca -0.01 -0.43 -0.22 0.00 2.00 0.00 0.00 58.73 60.07 1pg4 h TYR 291 Cb 0.18 -0.04 0.01 0.00 1.00 0.00 0.00 36.73 37.87 1pg4 h TYR 291 CO -0.09 1.30 -0.85 0.28 -0.00 0.00 0.00 178.16 178.80 1pg4 h VAL 292 N 0.15 1.34 -0.28 -2.88 2.07 -1.28 -3.09 116.25 112.28 1pg4 h VAL 292 Ca -0.14 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1pg4 h VAL 292 Cb 1.88 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1pg4 h VAL 292 CO 0.21 0.67 0.00 0.49 0.02 0.00 0.00 177.57 178.96 1pg4 n PHE 293 N -3.84 0.36 -4.11 1.57 0.99 -0.86 -4.23 117.46 107.34 1pg4 n PHE 293 Ca -0.07 -0.18 -0.30 0.00 -0.00 0.00 0.00 57.45 56.90 1pg4 n PHE 293 Cb 0.78 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.22 1pg4 n PHE 293 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1pg4 n ASP 294 N 0.85 -0.75 -4.70 4.37 4.64 -0.68 -4.82 116.55 115.46 1pg4 n ASP 294 Ca 0.17 -1.07 -0.42 0.00 -1.38 0.00 0.00 54.79 52.09 1pg4 n ASP 294 Cb 0.45 -2.63 -0.03 0.00 -1.04 0.00 0.00 41.12 37.87 1pg4 n ASP 294 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1pg4 s TYR 295 N -3.88 2.48 0.00 -0.67 5.04 -0.22 -4.90 117.35 115.20 1pg4 s TYR 295 Ca 0.19 0.21 0.08 0.00 -2.44 0.00 0.00 57.07 55.11 1pg4 s TYR 295 Cb -0.11 -4.09 -0.02 0.00 0.35 0.00 0.00 41.96 38.09 1pg4 s TYR 295 CO 0.93 -4.34 -0.24 -1.01 -1.34 0.00 0.00 175.55 169.55 1pg4 s HIS 296 N 2.21 2.11 0.04 4.97 3.76 -1.26 -4.98 115.29 122.14 1pg4 s HIS 296 Ca 0.77 -0.40 -0.38 0.00 -0.15 0.00 0.00 55.06 54.90 1pg4 s HIS 296 Cb -0.45 -1.33 -0.18 0.00 1.11 0.00 0.00 32.58 31.73 1pg4 s HIS 296 CO 0.34 0.01 1.30 -2.30 -0.85 0.00 0.00 174.74 173.24 1pg4 n PRO 297 N 2.30 0.85 0.00 8.40 -0.02 -1.26 -1.10 135.00 144.16 1pg4 n PRO 297 Ca -0.16 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1pg4 n PRO 297 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1pg4 n PRO 297 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg4 n GLY 298 N 2.38 1.06 3.77 -1.23 0.00 -1.26 -5.06 105.19 104.84 1pg4 n GLY 298 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1pg4 n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 299 N -1.86 6.73 -0.32 1.61 1.01 -0.26 -4.98 116.67 118.60 1pg4 s ASP 299 Ca 0.00 2.70 -0.16 0.00 0.71 0.00 0.00 52.55 55.81 1pg4 s ASP 299 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1pg4 s ASP 299 CO 0.00 -0.58 0.40 -0.63 0.21 0.00 0.00 175.17 174.57 1pg4 s ILE 300 N -0.94 5.14 -0.10 0.77 -1.09 -1.26 -3.97 121.20 119.74 1pg4 s ILE 300 Ca 0.51 0.26 -0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1pg4 s ILE 300 Cb -0.40 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1pg4 s ILE 300 CO 0.52 -0.05 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.64 1pg4 s TYR 301 N 2.12 2.93 -0.16 3.97 6.14 -0.64 -0.24 117.35 131.47 1pg4 s TYR 301 Ca 0.14 -0.18 -0.03 0.00 0.64 0.00 0.00 57.07 57.65 1pg4 s TYR 301 Cb -0.16 -1.80 0.05 0.00 0.42 0.00 0.00 41.96 40.48 1pg4 s TYR 301 CO 0.12 0.14 0.04 -0.46 0.64 0.00 0.00 175.55 176.02 1pg4 s TRP 302 N -0.31 0.79 -0.20 4.97 -0.00 0.06 -0.77 118.94 123.50 1pg4 s TRP 302 Ca 0.04 -0.58 -0.07 0.00 -0.00 0.00 0.00 56.10 55.49 1pg4 s TRP 302 Cb -0.13 -0.91 -0.04 0.00 -0.00 0.00 0.00 33.47 32.40 1pg4 s TRP 302 CO 0.02 -0.52 0.05 0.00 -0.00 0.00 0.00 176.95 176.51 1pg4 n THR 304 N 3.90 0.00 -1.94 0.00 -2.24 -0.43 -4.80 114.28 108.77 1pg4 n THR 304 Ca -0.16 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 1pg4 n THR 304 Cb 0.52 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1pg4 n THR 304 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg4 s ALA 305 N -2.78 3.35 0.51 6.98 0.00 -1.26 -4.96 121.76 123.61 1pg4 s ALA 305 Ca 0.18 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1pg4 s ALA 305 Cb 0.19 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1pg4 s ALA 305 CO 0.58 -0.95 1.23 0.34 0.00 0.00 0.00 175.76 176.96 1pg4 s ASP 306 N -0.51 5.70 0.62 0.00 -1.08 -1.26 -4.51 116.67 115.64 1pg4 s ASP 306 Ca 0.56 2.46 0.39 0.00 -0.52 0.00 0.00 52.55 55.44 1pg4 s ASP 306 Cb -0.42 -2.61 2.09 0.00 -1.46 0.00 0.00 42.92 40.52 1pg4 s ASP 306 CO 0.55 -1.25 2.28 1.62 0.52 0.00 0.00 175.17 178.88 1pg4 h VAL 307 N 1.55 0.17 0.00 1.11 3.04 -1.93 -1.96 116.25 118.23 1pg4 h VAL 307 Ca -0.50 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1pg4 h VAL 307 Cb 1.27 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1pg4 h VAL 307 CO 0.58 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.77 1pg4 n GLY 308 N -0.95 -1.11 3.77 3.17 0.00 -1.26 -4.19 105.19 104.61 1pg4 n GLY 308 Ca -0.02 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1pg4 n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pg4 s TRP 309 N -2.69 2.86 0.42 1.61 0.23 -0.74 -4.28 118.94 116.36 1pg4 s TRP 309 Ca 0.19 -0.26 0.09 0.00 -2.03 0.00 0.00 56.10 54.09 1pg4 s TRP 309 Cb 0.15 -1.53 0.91 0.00 0.03 0.00 0.00 33.47 33.03 1pg4 s TRP 309 CO 0.37 0.40 2.04 -0.24 0.96 0.00 0.00 176.95 180.48 1pg4 h VAL 310 N 1.52 1.10 -0.51 4.03 3.04 -1.87 -0.17 116.25 123.39 1pg4 h VAL 310 Ca -0.45 -0.28 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 1pg4 h VAL 310 Cb 1.25 0.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.22 1pg4 h VAL 310 CO 0.61 0.11 0.21 0.74 -1.01 0.00 0.00 177.57 178.23 1pg4 h THR 311 N 0.41 1.19 -0.42 3.17 2.02 -1.94 -0.32 112.91 117.01 1pg4 h THR 311 Ca 0.11 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 1pg4 h THR 311 Cb 0.03 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1pg4 h THR 311 CO -0.02 0.23 -0.26 1.23 0.37 0.00 0.00 175.52 177.07 1pg4 h GLY 312 N 0.87 1.00 0.87 2.16 0.00 -1.04 0.44 103.07 107.36 1pg4 h GLY 312 Ca 0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 1pg4 h GLY 312 CO -0.02 0.85 -0.32 0.45 0.00 0.00 0.00 176.54 177.51 1pg4 h HIS 313 N 0.75 -0.82 -0.07 5.60 3.86 -0.64 -2.11 115.15 121.70 1pg4 h HIS 313 Ca 0.09 -0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.06 1pg4 h HIS 313 Cb 0.84 0.27 0.01 0.00 1.06 0.00 0.00 27.41 29.59 1pg4 h HIS 313 CO 0.06 -0.48 -0.84 0.77 0.86 0.00 0.00 177.93 178.30 1pg4 h SER 314 N -1.03 0.71 -0.04 2.45 0.02 -1.14 -1.20 113.55 113.32 1pg4 h SER 314 Ca -0.09 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1pg4 h SER 314 Cb 0.72 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1pg4 h SER 314 CO 0.15 1.28 0.00 -1.22 -1.14 0.00 0.00 176.83 175.90 1pg4 n TYR 315 N -3.85 0.05 -0.11 3.45 4.02 0.14 -0.87 117.16 119.99 1pg4 n TYR 315 Ca -0.07 -0.24 -0.17 0.00 -0.01 0.00 0.00 57.90 57.41 1pg4 n TYR 315 Cb 0.78 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.99 1pg4 n TYR 315 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1pg4 n LEU 316 N -0.06 2.51 0.00 7.72 0.00 -0.84 -4.63 117.00 121.70 1pg4 n LEU 316 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.04 1pg4 n LEU 316 Cb 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1pg4 n LEU 316 CO 0.02 0.72 0.00 0.18 0.00 0.00 0.00 177.39 178.31 1pg4 n LEU 317 N -3.39 0.00 0.01 -1.96 4.77 -0.91 -4.73 117.00 110.78 1pg4 n LEU 317 Ca -0.39 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 1pg4 n LEU 317 Cb 0.86 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1pg4 n LEU 317 CO 0.15 -0.43 0.82 1.88 -1.33 0.00 0.00 177.39 178.47 1pg4 h TYR 318 N 0.00 -0.17 0.39 -1.77 0.05 -1.38 -0.34 116.97 113.75 1pg4 h TYR 318 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1pg4 h TYR 318 Cb 0.00 0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1pg4 h TYR 318 CO 0.00 -0.11 -0.19 0.78 -1.05 0.00 0.00 178.16 177.59 1pg4 h GLY 319 N -0.08 -0.54 1.02 3.88 0.00 -1.21 -1.56 103.07 104.58 1pg4 h GLY 319 Ca 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 1pg4 h GLY 319 CO -0.14 -0.20 0.22 -0.56 0.00 0.00 0.00 176.54 175.86 1pg4 h PRO 320 N -0.64 1.01 -0.27 4.80 0.13 -1.75 -2.67 132.00 132.62 1pg4 h PRO 320 Ca -0.05 -0.21 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1pg4 h PRO 320 Cb 0.46 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1pg4 h PRO 320 CO 0.09 0.88 -0.28 -0.07 -0.23 0.00 0.00 178.00 178.38 1pg4 h LEU 321 N 0.94 0.54 -1.36 1.56 3.38 -1.09 -0.51 115.31 118.78 1pg4 h LEU 321 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1pg4 h LEU 321 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pg4 h LEU 321 CO -0.01 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.47 1pg4 h ALA 322 N 1.24 1.49 -0.01 1.53 0.00 -1.15 -1.60 119.26 120.76 1pg4 h ALA 322 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pg4 h ALA 322 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pg4 h ALA 322 CO 0.06 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 1pg4 n GLY 324 N 1.11 0.61 3.91 0.00 0.00 -0.60 -5.03 105.19 105.19 1pg4 n GLY 324 Ca 0.21 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1pg4 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 325 N -2.18 2.92 -0.31 4.61 0.00 -0.27 -4.91 121.76 121.62 1pg4 s ALA 325 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1pg4 s ALA 325 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1pg4 s ALA 325 CO 0.00 -1.34 0.30 0.99 0.00 0.00 0.00 175.76 175.71 1pg4 s THR 326 N -3.37 5.22 -0.05 0.00 2.01 -1.25 -4.66 115.64 113.54 1pg4 s THR 326 Ca 0.60 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.76 1pg4 s THR 326 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1pg4 s THR 326 CO 0.48 0.05 -0.15 0.28 -0.69 0.00 0.00 174.62 174.59 1pg4 s THR 327 N 1.92 3.02 -0.21 -0.82 -1.32 -0.25 -1.62 115.64 116.36 1pg4 s THR 327 Ca 0.10 -0.74 -0.09 0.00 -1.21 0.00 0.00 61.69 59.75 1pg4 s THR 327 Cb -0.16 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 1pg4 s THR 327 CO 0.11 0.59 0.11 -0.22 -2.21 0.00 0.00 174.62 173.00 1pg4 s LEU 328 N -0.73 4.01 -0.31 9.08 0.20 0.05 -1.23 118.68 129.76 1pg4 s LEU 328 Ca 0.11 0.13 -0.04 0.00 0.69 0.00 0.00 54.13 55.02 1pg4 s LEU 328 Cb -0.11 -2.04 0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1pg4 s LEU 328 CO 0.00 0.14 0.04 -0.32 -0.29 0.00 0.00 176.35 175.93 1pg4 s MET 329 N 0.60 2.56 -0.17 1.98 -2.45 0.41 -4.27 119.30 117.96 1pg4 s MET 329 Ca 0.06 -1.20 -0.15 0.00 -1.25 0.00 0.00 55.69 53.16 1pg4 s MET 329 Cb -0.12 -3.30 -0.04 0.00 1.25 0.00 0.00 34.83 32.62 1pg4 s MET 329 CO 0.01 -0.62 0.34 0.12 1.05 0.00 0.00 175.02 175.91 1pg4 s PHE 330 N 1.33 3.43 0.09 4.11 5.36 -1.26 -1.52 117.98 129.52 1pg4 s PHE 330 Ca -0.03 0.62 0.14 0.00 -0.96 0.00 0.00 56.93 56.69 1pg4 s PHE 330 Cb -0.19 -2.41 0.26 0.00 -0.34 0.00 0.00 43.02 40.34 1pg4 s PHE 330 CO 0.01 0.15 1.54 1.49 -1.46 0.00 0.00 175.22 176.94 1pg4 h GLU 331 N 6.92 0.00 0.00 10.12 4.81 -1.04 -3.46 114.58 131.93 1pg4 h GLU 331 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1pg4 h GLU 331 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1pg4 h GLU 331 CO 0.74 0.59 0.00 0.41 -0.73 0.00 0.00 179.01 180.02 1pg4 n GLY 332 N 0.74 2.92 3.37 1.92 0.00 -1.26 -4.64 105.19 108.25 1pg4 n GLY 332 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 1pg4 n GLY 332 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pg4 s VAL 333 N 4.62 2.17 0.12 1.61 -7.23 -1.26 -4.94 120.40 115.49 1pg4 s VAL 333 Ca 0.00 -1.71 0.28 0.00 -1.81 0.00 0.00 61.98 58.74 1pg4 s VAL 333 Cb 0.00 -1.92 0.28 0.00 0.56 0.00 0.00 36.38 35.30 1pg4 s VAL 333 CO 0.00 0.08 1.85 1.55 -0.31 0.00 0.00 175.10 178.27 1pg4 h PRO 334 N 3.95 0.00 0.00 4.82 0.13 -1.96 -3.00 132.00 135.94 1pg4 h PRO 334 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1pg4 h PRO 334 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1pg4 h PRO 334 CO 0.39 0.00 -0.30 0.27 -0.23 0.00 0.00 178.00 178.13 1pg4 n ASN 335 N -2.51 1.92 -4.03 1.44 2.04 -1.26 -1.43 115.26 111.43 1pg4 n ASN 335 Ca -0.02 -3.45 -0.22 0.00 -0.44 0.00 0.00 54.58 50.45 1pg4 n ASN 335 Cb 0.09 -0.47 -0.16 0.00 -2.53 0.00 0.00 39.78 36.71 1pg4 n ASN 335 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 1pg4 s TRP 336 N -2.91 1.13 0.02 -2.53 -0.00 -1.13 -3.28 118.94 110.24 1pg4 s TRP 336 Ca 0.34 -0.30 0.32 0.00 -0.00 0.00 0.00 56.10 56.47 1pg4 s TRP 336 Cb 0.32 -0.80 1.30 0.00 -0.00 0.00 0.00 33.47 34.29 1pg4 s TRP 336 CO -0.03 -0.12 1.95 -1.00 -0.00 0.00 0.00 176.95 177.74 1pg4 h PRO 337 N 6.40 0.00 -4.86 5.86 0.13 -1.88 -3.44 132.00 134.21 1pg4 h PRO 337 Ca -0.33 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.49 1pg4 h PRO 337 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1pg4 h PRO 337 CO 0.48 0.00 -0.66 0.95 -0.23 0.00 0.00 178.00 178.55 1pg4 s THR 338 N -3.62 0.72 0.61 1.56 -4.23 -1.21 -5.03 115.64 104.45 1pg4 s THR 338 Ca 0.02 -1.99 0.40 0.00 -1.18 0.00 0.00 61.69 58.94 1pg4 s THR 338 Cb 0.09 -2.23 0.40 0.00 1.34 0.00 0.00 72.50 72.11 1pg4 s THR 338 CO 0.53 -0.38 2.24 -0.65 -0.54 0.00 0.00 174.62 175.82 1pg4 h PRO 339 N 2.62 0.00 -0.01 3.99 0.11 -1.81 -1.39 132.00 135.52 1pg4 h PRO 339 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pg4 h PRO 339 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pg4 h PRO 339 CO 0.63 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.35 1pg4 n ALA 340 N -2.02 2.72 -0.08 -0.75 0.00 -1.20 -4.37 120.51 114.80 1pg4 n ALA 340 Ca -0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.04 1pg4 n ALA 340 Cb 0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1pg4 n ALA 340 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pg4 h ARG 341 N 0.86 -0.20 -0.42 0.00 9.65 -1.31 0.29 114.38 123.24 1pg4 h ARG 341 Ca 0.00 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 1pg4 h ARG 341 Cb 0.32 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.86 1pg4 h ARG 341 CO 0.00 -0.14 -0.15 1.98 2.80 0.00 0.00 179.97 184.46 1pg4 h MET 342 N -0.21 -0.06 0.00 0.20 4.05 -1.44 0.66 114.93 118.12 1pg4 h MET 342 Ca 0.16 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 1pg4 h MET 342 Cb 0.47 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1pg4 h MET 342 CO -0.45 -0.04 -0.27 0.00 0.23 0.00 0.00 176.91 176.38 1pg4 h GLN 344 N 0.00 0.59 -0.41 0.00 4.20 0.91 -1.71 115.11 118.69 1pg4 h GLN 344 Ca -0.00 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 1pg4 h GLN 344 Cb 0.68 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1pg4 h GLN 344 CO 0.03 0.93 -0.04 0.28 -0.67 0.00 0.00 178.83 179.37 1pg4 h VAL 345 N 0.47 1.27 -0.49 -0.54 2.07 -0.47 -0.06 116.25 118.50 1pg4 h VAL 345 Ca 0.03 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1pg4 h VAL 345 Cb 1.00 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1pg4 h VAL 345 CO 0.09 0.37 0.22 0.58 0.02 0.00 0.00 177.57 178.85 1pg4 h VAL 346 N 0.57 0.92 -0.21 2.57 2.07 -1.14 -1.63 116.25 119.40 1pg4 h VAL 346 Ca 0.11 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1pg4 h VAL 346 Cb 0.54 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1pg4 h VAL 346 CO 0.03 0.08 -0.13 0.44 0.02 0.00 0.00 177.57 178.01 1pg4 h ASP 347 N 0.43 0.48 -0.78 0.57 3.32 -1.15 0.53 116.42 119.82 1pg4 h ASP 347 Ca 0.22 -0.43 0.10 0.00 0.02 0.00 0.00 57.03 56.93 1pg4 h ASP 347 Cb 0.17 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 1pg4 h ASP 347 CO -0.18 0.81 0.42 0.50 -1.72 0.00 0.00 179.24 179.07 1pg4 h LYS 348 N 0.15 0.69 -0.41 3.56 3.64 -0.71 -2.74 116.57 120.76 1pg4 h LYS 348 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pg4 h LYS 348 Cb 0.64 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1pg4 h LYS 348 CO 0.04 0.46 0.00 0.72 -2.27 0.00 0.00 179.45 178.39 1pg4 n HIS 349 N -4.79 0.54 -3.81 1.91 8.25 -0.64 -4.99 115.22 111.69 1pg4 n HIS 349 Ca 0.13 -0.42 -0.23 0.00 -0.26 0.00 0.00 57.72 56.93 1pg4 n HIS 349 Cb 0.28 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.38 1pg4 n HIS 349 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pg4 n GLN 350 N 0.89 -4.23 -1.80 -0.41 1.13 0.04 -4.89 117.38 108.11 1pg4 n GLN 350 Ca 0.15 0.53 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 1pg4 n GLN 350 Cb 0.48 -4.91 -0.02 0.00 0.11 0.00 0.00 30.24 25.89 1pg4 n GLN 350 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pg4 s VAL 351 N -3.78 2.18 -0.11 5.09 1.01 -0.39 -4.64 120.40 119.76 1pg4 s VAL 351 Ca 0.02 0.14 0.18 0.00 0.00 0.00 0.00 61.98 62.32 1pg4 s VAL 351 Cb -0.01 -3.09 -0.26 0.00 0.00 0.00 0.00 36.38 33.02 1pg4 s VAL 351 CO 0.84 0.02 0.23 0.59 0.00 0.00 0.00 175.10 176.78 1pg4 n ASN 352 N 3.05 0.43 -3.90 3.32 5.03 0.67 -2.99 115.26 120.88 1pg4 n ASN 352 Ca 0.11 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.31 1pg4 n ASN 352 Cb 0.37 1.38 -0.17 0.00 -1.02 0.00 0.00 39.78 40.34 1pg4 n ASN 352 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pg4 s ILE 353 N -2.86 0.89 -0.16 2.41 1.01 -0.76 -0.84 121.20 120.89 1pg4 s ILE 353 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1pg4 s ILE 353 Cb 0.09 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1pg4 s ILE 353 CO 0.79 0.34 -0.16 -0.22 0.00 0.00 0.00 174.94 175.69 1pg4 s LEU 354 N 1.57 2.43 -0.23 2.97 2.96 -0.65 -0.76 118.68 126.98 1pg4 s LEU 354 Ca 0.01 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1pg4 s LEU 354 Cb -0.13 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1pg4 s LEU 354 CO -0.06 0.07 -0.07 -0.47 -1.32 0.00 0.00 176.35 174.50 1pg4 s TYR 355 N 0.91 2.44 0.00 5.38 5.04 -0.08 -0.07 117.35 130.97 1pg4 s TYR 355 Ca -0.03 -1.74 0.00 0.00 -2.44 0.00 0.00 57.07 52.85 1pg4 s TYR 355 Cb -0.15 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.56 1pg4 s TYR 355 CO -0.02 -0.77 0.00 -2.37 -1.34 0.00 0.00 175.55 171.05 1pg4 n THR 356 N 4.66 0.00 -4.24 4.34 5.66 -0.80 -1.31 114.28 122.60 1pg4 n THR 356 Ca -0.13 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1pg4 n THR 356 Cb 0.44 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 1pg4 n THR 356 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg4 s ALA 357 N -2.00 3.11 0.31 1.79 0.00 -1.26 -1.29 121.76 122.41 1pg4 s ALA 357 Ca 0.00 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1pg4 s ALA 357 Cb 0.00 -1.07 0.66 0.00 0.00 0.00 0.00 23.12 22.71 1pg4 s ALA 357 CO 0.00 0.66 1.84 -1.35 0.00 0.00 0.00 175.76 176.91 1pg4 h PRO 358 N 3.74 0.85 -0.68 0.00 0.11 -1.88 -1.24 132.00 132.90 1pg4 h PRO 358 Ca -0.48 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 1pg4 h PRO 358 Cb 1.17 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1pg4 h PRO 358 CO 0.55 0.56 0.45 1.15 -0.21 0.00 0.00 178.00 180.50 1pg4 h THR 359 N 0.88 1.15 -0.59 -1.15 2.02 -1.89 0.24 112.91 113.57 1pg4 h THR 359 Ca 0.50 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.28 1pg4 h THR 359 Cb 0.62 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1pg4 h THR 359 CO -0.26 0.16 0.04 0.00 0.37 0.00 0.00 175.52 175.83 1pg4 h ALA 360 N 1.26 0.79 -0.44 6.16 0.00 -1.62 -0.50 119.26 124.91 1pg4 h ALA 360 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pg4 h ALA 360 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1pg4 h ALA 360 CO -0.07 0.59 0.29 0.82 0.00 0.00 0.00 179.25 180.88 1pg4 h ILE 361 N 0.90 1.12 -0.14 0.00 2.04 -0.53 -1.02 117.51 119.88 1pg4 h ILE 361 Ca 0.17 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1pg4 h ILE 361 Cb 0.50 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1pg4 h ILE 361 CO 0.02 0.11 -0.33 0.03 0.00 0.00 0.00 178.15 177.99 1pg4 h ARG 362 N 0.60 0.28 -0.56 2.37 3.08 -0.34 0.23 114.38 120.05 1pg4 h ARG 362 Ca 0.16 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1pg4 h ARG 362 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1pg4 h ARG 362 CO -0.03 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 1pg4 h ALA 363 N 1.41 0.96 0.07 0.04 0.00 -0.52 -1.49 119.26 119.73 1pg4 h ALA 363 Ca 0.03 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1pg4 h ALA 363 Cb 0.71 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pg4 h ALA 363 CO 0.05 0.63 -1.14 -0.07 0.00 0.00 0.00 179.25 178.72 1pg4 h LEU 364 N 0.88 0.81 -1.68 0.00 3.38 -0.84 -3.24 115.31 114.62 1pg4 h LEU 364 Ca 0.16 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 1pg4 h LEU 364 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pg4 h LEU 364 CO 0.03 1.52 0.14 -0.03 0.09 0.00 0.00 178.44 180.19 1pg4 h MET 365 N 0.30 0.36 0.00 1.13 4.05 -0.37 -0.74 114.93 119.66 1pg4 h MET 365 Ca -0.15 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1pg4 h MET 365 Cb 1.80 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.53 1pg4 h MET 365 CO 0.22 0.27 -0.03 0.00 0.23 0.00 0.00 176.91 177.60 1pg4 h ALA 366 N 1.80 1.09 -0.04 0.39 0.00 -1.30 -0.64 119.26 120.55 1pg4 h ALA 366 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pg4 h ALA 366 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pg4 h ALA 366 CO -0.02 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1pg4 n GLU 367 N -3.24 2.06 0.00 0.00 -0.58 -0.29 -5.05 120.64 113.54 1pg4 n GLU 367 Ca -0.02 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 1pg4 n GLU 367 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1pg4 n GLU 367 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg4 n GLY 368 N 1.28 2.64 0.02 0.62 0.00 -0.25 -2.50 105.19 107.00 1pg4 n GLY 368 Ca 0.16 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1pg4 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pg4 n ASP 369 N 0.69 0.07 0.32 1.61 9.92 -1.26 -1.98 116.55 125.92 1pg4 n ASP 369 Ca 0.00 0.52 0.21 0.00 -0.53 0.00 0.00 54.79 54.99 1pg4 n ASP 369 Cb 0.00 -0.54 1.04 0.00 -0.64 0.00 0.00 41.12 40.99 1pg4 n ASP 369 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1pg4 h LYS 370 N 0.00 0.00 0.00 -1.24 1.57 -1.84 0.07 116.57 115.13 1pg4 h LYS 370 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pg4 h LYS 370 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1pg4 h LYS 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1pg4 h ALA 371 N 2.00 1.00 0.00 3.86 0.00 -1.59 -3.18 119.26 121.34 1pg4 h ALA 371 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pg4 h ALA 371 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pg4 h ALA 371 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 1pg4 n ILE 372 N -2.57 0.00 -1.68 0.00 -5.35 -0.43 -4.11 119.36 105.22 1pg4 n ILE 372 Ca 0.04 -0.41 -0.48 0.00 -0.27 0.00 0.00 62.75 61.63 1pg4 n ILE 372 Cb 0.40 1.13 -0.05 0.00 -1.74 0.00 0.00 39.64 39.39 1pg4 n ILE 372 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1pg4 n GLU 373 N -0.24 2.10 -0.96 6.28 2.13 -0.12 -1.20 120.64 128.63 1pg4 n GLU 373 Ca 0.00 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1pg4 n GLU 373 Cb 0.03 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.16 1pg4 n GLU 373 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pg4 n GLY 374 N 4.11 0.98 3.85 8.31 0.00 -1.26 -4.95 105.19 116.24 1pg4 n GLY 374 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1pg4 n GLY 374 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pg4 s THR 375 N -3.91 4.85 -0.17 2.61 -4.23 -0.34 -5.06 115.64 109.39 1pg4 s THR 375 Ca 0.00 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.52 1pg4 s THR 375 Cb 0.00 -3.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.30 1pg4 s THR 375 CO 0.00 -0.05 -0.11 -0.67 -0.54 0.00 0.00 174.62 173.25 1pg4 n ASP 376 N -0.27 1.84 0.00 3.99 2.03 -1.26 -5.00 116.55 117.88 1pg4 n ASP 376 Ca -0.08 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1pg4 n ASP 376 Cb 0.54 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1pg4 n ASP 376 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pg4 n ARG 377 N -4.54 -0.52 0.30 -0.67 1.74 -1.26 -4.90 116.66 106.82 1pg4 n ARG 377 Ca -0.16 0.13 0.20 0.00 -0.77 0.00 0.00 57.85 57.24 1pg4 n ARG 377 Cb 0.42 -3.76 0.91 0.00 -1.02 0.00 0.00 32.46 29.01 1pg4 n ARG 377 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pg4 h SER 378 N 0.00 0.00 1.32 0.55 0.02 -1.94 -2.93 113.55 110.57 1pg4 h SER 378 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pg4 h SER 378 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1pg4 h SER 378 CO 0.00 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.46 1pg4 h SER 379 N 0.00 0.00 -3.76 3.07 4.64 -1.91 -3.45 113.55 112.15 1pg4 h SER 379 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1pg4 h SER 379 Cb 0.29 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1pg4 h SER 379 CO 0.00 0.00 0.61 -0.76 -0.87 0.00 0.00 176.83 175.81 1pg4 s LEU 380 N -5.88 4.45 0.00 5.97 1.43 -1.11 -4.12 118.68 119.43 1pg4 s LEU 380 Ca 0.04 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1pg4 s LEU 380 Cb 0.08 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1pg4 s LEU 380 CO 0.57 -0.45 0.00 0.54 0.23 0.00 0.00 176.35 177.24 1pg4 n ARG 381 N 1.27 1.52 -4.45 1.70 1.74 -0.02 -4.89 116.66 113.54 1pg4 n ARG 381 Ca 0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 1pg4 n ARG 381 Cb 0.43 -0.75 -0.16 0.00 -1.02 0.00 0.00 32.46 30.96 1pg4 n ARG 381 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pg4 s ILE 382 N -1.49 0.88 0.21 0.55 -1.09 -0.96 -3.90 121.20 115.40 1pg4 s ILE 382 Ca 0.00 -0.41 0.11 0.00 -2.23 0.00 0.00 60.65 58.12 1pg4 s ILE 382 Cb 0.00 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 1pg4 s ILE 382 CO 0.00 0.27 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.05 1pg4 s LEU 383 N 0.24 2.68 0.05 2.97 1.43 -0.53 -1.64 118.68 123.89 1pg4 s LEU 383 Ca -0.04 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1pg4 s LEU 383 Cb -0.10 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1pg4 s LEU 383 CO 0.01 0.09 0.14 -0.83 0.23 0.00 0.00 176.35 175.99 1pg4 s GLY 384 N -2.94 0.13 -0.01 -3.19 0.00 0.89 -0.42 107.32 101.79 1pg4 s GLY 384 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1pg4 s GLY 384 CO 0.13 -0.67 -0.01 -0.45 0.00 0.00 0.00 173.10 172.10 1pg4 s SER 385 N -2.31 0.17 0.08 1.64 0.15 -0.14 -1.90 113.70 111.41 1pg4 s SER 385 Ca -0.02 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.48 1pg4 s SER 385 Cb 0.01 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1pg4 s SER 385 CO -0.06 -0.01 0.30 0.54 1.20 0.00 0.00 173.24 175.21 1pg4 s VAL 386 N 0.20 0.10 0.00 4.45 0.11 -0.41 -1.70 120.40 123.15 1pg4 s VAL 386 Ca -0.02 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1pg4 s VAL 386 Cb -0.03 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1pg4 s VAL 386 CO -0.01 -0.44 0.00 0.61 -3.33 0.00 0.00 175.10 171.93 1pg4 n GLY 387 N 0.10 3.45 3.69 6.54 0.00 -1.26 -4.21 105.19 113.50 1pg4 n GLY 387 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1pg4 n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pg4 s GLU 388 N -0.90 0.75 0.73 1.61 -1.05 -1.26 -4.79 118.70 113.79 1pg4 s GLU 388 Ca 0.00 -0.42 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 1pg4 s GLU 388 Cb 0.00 0.25 0.04 0.00 -0.44 0.00 0.00 34.13 33.98 1pg4 s GLU 388 CO 0.00 -0.34 1.13 -2.14 0.95 0.00 0.00 175.26 174.86 1pg4 s PRO 389 N -2.77 2.35 -0.13 -4.83 0.02 -1.26 -4.83 135.00 123.55 1pg4 s PRO 389 Ca 0.14 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.57 1pg4 s PRO 389 Cb 0.02 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.69 1pg4 s PRO 389 CO -0.01 -1.61 -0.01 -1.50 -0.33 0.00 0.00 177.00 173.54 1pg4 s ILE 390 N -2.44 0.67 0.74 2.83 2.07 -1.26 -4.84 121.20 118.97 1pg4 s ILE 390 Ca 0.67 -0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.51 1pg4 s ILE 390 Cb -0.22 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.51 1pg4 s ILE 390 CO 0.48 0.13 1.10 0.54 -1.91 0.00 0.00 174.94 175.27 1pg4 s ASN 391 N 1.83 4.63 0.28 4.50 2.20 -1.26 -4.00 114.94 123.11 1pg4 s ASN 391 Ca 0.03 1.90 0.02 0.00 -0.94 0.00 0.00 52.86 53.87 1pg4 s ASN 391 Cb -0.14 -2.53 0.64 0.00 -2.00 0.00 0.00 41.25 37.22 1pg4 s ASN 391 CO -0.07 -1.95 1.72 -0.65 -2.94 0.00 0.00 177.10 173.21 1pg4 h PRO 392 N -0.77 0.47 0.00 3.55 0.11 -1.97 -1.04 132.00 132.35 1pg4 h PRO 392 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1pg4 h PRO 392 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1pg4 h PRO 392 CO 0.52 0.31 -0.04 1.49 -0.21 0.00 0.00 178.00 180.07 1pg4 h GLU 393 N 0.49 -0.07 -0.54 1.05 4.81 -1.97 0.84 114.58 119.18 1pg4 h GLU 393 Ca 0.52 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1pg4 h GLU 393 Cb 0.89 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1pg4 h GLU 393 CO -0.46 -0.05 0.04 0.00 -0.73 0.00 0.00 179.01 177.81 1pg4 h ALA 394 N 0.92 0.72 -0.45 2.92 0.00 -1.80 -0.82 119.26 120.75 1pg4 h ALA 394 Ca 0.02 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pg4 h ALA 394 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1pg4 h ALA 394 CO -0.04 0.50 0.21 2.35 0.00 0.00 0.00 179.25 182.27 1pg4 h TRP 395 N 0.80 0.39 -0.32 0.00 7.01 -0.98 0.37 115.95 123.22 1pg4 h TRP 395 Ca 0.16 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1pg4 h TRP 395 Cb 0.47 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1pg4 h TRP 395 CO 0.03 0.19 0.11 0.93 -2.79 0.00 0.00 178.44 176.91 1pg4 h GLU 396 N 0.42 0.50 -0.40 2.65 4.39 -0.59 0.16 114.58 121.71 1pg4 h GLU 396 Ca 0.20 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1pg4 h GLU 396 Cb 0.12 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1pg4 h GLU 396 CO -0.15 0.53 0.23 2.35 -1.16 0.00 0.00 179.01 180.81 1pg4 h TRP 397 N 0.36 0.54 0.01 4.33 7.01 -0.82 0.39 115.95 127.78 1pg4 h TRP 397 Ca 0.10 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1pg4 h TRP 397 Cb 0.23 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1pg4 h TRP 397 CO 0.00 0.40 -0.00 -0.92 -2.79 0.00 0.00 178.44 175.13 1pg4 h TYR 398 N 0.52 -0.01 -0.92 2.65 3.20 -0.79 0.35 116.97 121.97 1pg4 h TYR 398 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1pg4 h TYR 398 Cb 0.03 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1pg4 h TYR 398 CO -0.03 0.03 0.56 2.35 -1.64 0.00 0.00 178.16 179.43 1pg4 h TRP 399 N -0.05 1.20 0.00 -3.82 7.01 -0.39 -2.03 115.95 117.88 1pg4 h TRP 399 Ca -0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1pg4 h TRP 399 Cb 0.04 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 26.70 1pg4 h TRP 399 CO -0.07 0.80 -0.46 -0.22 -2.79 0.00 0.00 178.44 175.70 1pg4 h LYS 400 N 1.26 0.00 -0.07 2.65 3.64 -0.00 -0.77 116.57 123.28 1pg4 h LYS 400 Ca 0.33 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1pg4 h LYS 400 Cb -0.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1pg4 h LYS 400 CO -0.06 0.79 -0.57 0.87 -2.27 0.00 0.00 179.45 178.20 1pg4 h LYS 401 N -1.00 0.52 0.02 1.90 1.79 -0.42 -1.52 116.57 117.86 1pg4 h LYS 401 Ca -0.12 -0.46 -0.14 0.00 -2.18 0.00 0.00 60.65 57.76 1pg4 h LYS 401 Cb 0.93 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1pg4 h LYS 401 CO -0.07 1.09 -0.73 0.82 -1.08 0.00 0.00 179.45 179.48 1pg4 h ILE 402 N 0.10 1.33 -0.01 1.86 1.08 -1.46 -3.37 117.51 117.03 1pg4 h ILE 402 Ca -0.05 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 1pg4 h ILE 402 Cb 1.23 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 37.80 1pg4 h ILE 402 CO 0.12 0.50 -0.05 0.61 -0.69 0.00 0.00 178.15 178.64 1pg4 n GLY 403 N 1.55 -0.37 3.02 5.37 0.00 -0.93 -4.93 105.19 108.91 1pg4 n GLY 403 Ca -0.21 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1pg4 n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg4 n LYS 404 N -0.27 -3.41 -2.14 1.61 5.02 -0.57 -0.92 118.16 117.48 1pg4 n LYS 404 Ca 0.18 0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 1pg4 n LYS 404 Cb 0.30 -5.34 -0.03 0.00 -0.02 0.00 0.00 35.03 29.94 1pg4 n LYS 404 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pg4 n GLU 405 N -3.55 -1.68 0.00 1.97 1.02 -0.31 -4.83 120.64 113.26 1pg4 n GLU 405 Ca -0.08 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1pg4 n GLU 405 Cb 0.58 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 1pg4 n GLU 405 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pg4 n LYS 406 N -2.75 5.91 -4.78 3.49 5.02 -0.09 -5.05 118.16 119.91 1pg4 n LYS 406 Ca -0.22 -0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.70 1pg4 n LYS 406 Cb 0.66 -0.51 -0.13 0.00 -0.02 0.00 0.00 35.03 35.03 1pg4 n LYS 406 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pg4 s PRO 408 N -0.18 3.23 -0.30 0.00 0.02 -1.25 -4.74 135.00 131.77 1pg4 s PRO 408 Ca 0.00 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 62.52 1pg4 s PRO 408 Cb -0.13 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1pg4 s PRO 408 CO 0.03 -0.94 0.05 0.08 -0.33 0.00 0.00 177.00 175.89 1pg4 s VAL 409 N -1.92 3.49 -0.50 3.83 1.01 -1.26 -1.45 120.40 123.59 1pg4 s VAL 409 Ca 0.71 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1pg4 s VAL 409 Cb -0.23 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1pg4 s VAL 409 CO 0.30 -0.03 0.75 0.68 0.00 0.00 0.00 175.10 176.80 1pg4 s VAL 410 N 1.38 4.68 -0.68 2.92 -7.23 0.44 -4.92 120.40 116.99 1pg4 s VAL 410 Ca -0.01 -0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.92 1pg4 s VAL 410 Cb -0.18 -4.37 0.09 0.00 0.56 0.00 0.00 36.38 32.48 1pg4 s VAL 410 CO 0.01 -0.86 0.90 -0.62 -0.31 0.00 0.00 175.10 174.21 1pg4 s ASP 411 N 2.56 6.25 -0.31 4.85 2.15 -1.26 -0.96 116.67 129.95 1pg4 s ASP 411 Ca 0.23 -1.33 -0.19 0.00 0.43 0.00 0.00 52.55 51.69 1pg4 s ASP 411 Cb -0.15 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1pg4 s ASP 411 CO 0.17 -1.26 0.55 0.42 -0.17 0.00 0.00 175.17 174.88 1pg4 s THR 412 N 3.32 5.00 -0.18 1.71 -4.23 -0.69 -4.34 115.64 116.23 1pg4 s THR 412 Ca 0.20 0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 1pg4 s THR 412 Cb -0.17 -3.94 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 1pg4 s THR 412 CO 0.06 -0.11 0.12 0.86 -0.54 0.00 0.00 174.62 175.01 1pg4 s TRP 413 N 2.45 3.40 0.02 3.99 -0.00 0.21 -4.46 118.94 124.56 1pg4 s TRP 413 Ca 0.22 0.31 -0.08 0.00 -0.00 0.00 0.00 56.10 56.55 1pg4 s TRP 413 Cb -0.15 -2.10 0.03 0.00 -0.00 0.00 0.00 33.47 31.24 1pg4 s TRP 413 CO 0.12 0.34 0.36 -2.67 -0.00 0.00 0.00 176.95 175.09 1pg4 n TRP 414 N 3.25 -0.52 -3.95 5.86 4.27 -1.26 -1.45 117.44 123.64 1pg4 n TRP 414 Ca -0.17 -0.30 -0.09 0.00 -3.89 0.00 0.00 57.50 53.04 1pg4 n TRP 414 Cb 0.53 0.14 -0.06 0.00 -1.36 0.00 0.00 31.31 30.56 1pg4 n TRP 414 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 1pg4 s GLN 415 N -2.01 1.39 0.33 -2.67 -0.21 -1.26 -4.96 119.66 110.27 1pg4 s GLN 415 Ca 0.08 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.35 1pg4 s GLN 415 Cb -0.01 0.44 0.72 0.00 1.00 0.00 0.00 33.01 35.17 1pg4 s GLN 415 CO 0.01 -0.56 1.87 1.15 -2.12 0.00 0.00 175.29 175.64 1pg4 h THR 416 N 2.34 0.89 0.00 -0.19 2.02 -1.97 0.56 112.91 116.56 1pg4 h THR 416 Ca -0.29 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1pg4 h THR 416 Cb 1.25 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1pg4 h THR 416 CO 0.40 0.15 0.00 -0.62 0.37 0.00 0.00 175.52 175.82 1pg4 n GLU 417 N -4.56 0.02 0.00 6.66 4.71 -1.26 -3.18 120.64 123.03 1pg4 n GLU 417 Ca 0.17 0.22 0.09 0.00 -0.01 0.00 0.00 57.16 57.62 1pg4 n GLU 417 Cb 0.40 -1.53 0.02 0.00 -1.01 0.00 0.00 31.44 29.31 1pg4 n GLU 417 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1pg4 n THR 418 N -1.57 0.00 0.00 2.62 -2.24 0.18 -1.12 114.28 112.15 1pg4 n THR 418 Ca 0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1pg4 n THR 418 Cb 0.21 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1pg4 n THR 418 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 419 N 1.15 0.68 2.81 3.38 0.00 -1.17 -3.84 105.19 108.19 1pg4 n GLY 419 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1pg4 n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg4 n GLY 420 N 0.00 1.86 3.56 -0.02 0.00 -1.26 -4.81 105.19 104.52 1pg4 n GLY 420 Ca 0.00 -1.42 -0.48 0.00 0.00 0.00 0.00 46.02 44.12 1pg4 n GLY 420 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pg4 n PHE 421 N -0.45 1.09 -0.02 1.61 0.99 -1.26 -4.63 117.46 114.79 1pg4 n PHE 421 Ca -0.03 0.73 -0.05 0.00 -0.00 0.00 0.00 57.45 58.10 1pg4 n PHE 421 Cb 0.47 -2.23 -0.02 0.00 -1.00 0.00 0.00 39.48 36.70 1pg4 n PHE 421 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1pg4 n MET 422 N 1.37 0.11 -4.02 -1.08 2.81 -0.52 -4.81 117.12 110.98 1pg4 n MET 422 Ca 0.14 0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.78 1pg4 n MET 422 Cb 0.26 -0.69 -0.16 0.00 -0.71 0.00 0.00 33.22 31.92 1pg4 n MET 422 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1pg4 s ILE 423 N -2.11 1.58 -0.10 2.02 1.01 -0.89 -0.17 121.20 122.54 1pg4 s ILE 423 Ca -0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1pg4 s ILE 423 Cb 0.02 -1.50 0.12 0.00 0.01 0.00 0.00 42.46 41.11 1pg4 s ILE 423 CO 0.09 0.42 0.96 0.28 0.00 0.00 0.00 174.94 176.69 1pg4 s THR 424 N 1.48 0.00 0.61 2.92 -1.32 -0.25 -0.62 115.64 118.46 1pg4 s THR 424 Ca 0.04 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1pg4 s THR 424 Cb -0.13 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1pg4 s THR 424 CO -0.10 0.00 0.91 -2.16 -2.21 0.00 0.00 174.62 171.05 1pg4 s PRO 425 N -1.93 2.76 -0.15 7.08 0.04 -1.13 -4.23 135.00 137.45 1pg4 s PRO 425 Ca 0.01 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1pg4 s PRO 425 Cb -0.01 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1pg4 s PRO 425 CO -0.02 -0.79 -0.15 -0.51 0.04 0.00 0.00 177.00 175.56 1pg4 s LEU 426 N -5.02 2.49 0.31 -3.56 1.02 -1.26 -4.82 118.68 107.84 1pg4 s LEU 426 Ca 0.55 -0.45 0.05 0.00 0.02 0.00 0.00 54.13 54.30 1pg4 s LEU 426 Cb -0.11 -1.56 0.82 0.00 0.02 0.00 0.00 46.19 45.37 1pg4 s LEU 426 CO 0.44 0.10 1.62 1.55 0.02 0.00 0.00 176.35 180.08 1pg4 h PRO 427 N 7.18 0.13 -0.57 1.29 0.13 -1.81 -0.91 132.00 137.44 1pg4 h PRO 427 Ca -0.31 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1pg4 h PRO 427 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1pg4 h PRO 427 CO 0.56 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1pg4 n GLY 428 N -1.39 2.73 0.00 1.56 0.00 -1.26 -4.56 105.19 102.28 1pg4 n GLY 428 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1pg4 n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 n ALA 429 N 1.06 1.84 -3.38 4.61 0.00 -0.67 -3.52 120.51 120.46 1pg4 n ALA 429 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1pg4 n ALA 429 Cb 0.63 0.19 -0.17 0.00 0.00 0.00 0.00 19.45 20.10 1pg4 n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pg4 s ILE 430 N -1.84 1.72 0.37 0.00 1.01 -0.44 -4.03 121.20 117.98 1pg4 s ILE 430 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 1pg4 s ILE 430 Cb 0.00 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.87 1pg4 s ILE 430 CO 0.00 0.48 1.11 -1.61 0.00 0.00 0.00 174.94 174.92 1pg4 s GLU 431 N 0.55 4.25 0.09 2.79 2.02 -1.26 -4.68 118.70 122.46 1pg4 s GLU 431 Ca -0.15 1.72 -0.09 0.00 0.02 0.00 0.00 54.97 56.46 1pg4 s GLU 431 Cb -0.17 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.23 1pg4 s GLU 431 CO 0.05 -0.11 0.40 -0.51 0.02 0.00 0.00 175.26 175.11 1pg4 s LEU 432 N -2.26 4.33 -0.14 1.80 1.43 -0.91 -4.82 118.68 118.12 1pg4 s LEU 432 Ca 0.54 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1pg4 s LEU 432 Cb -0.28 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 42.92 1pg4 s LEU 432 CO 0.35 0.15 -0.16 -0.54 0.23 0.00 0.00 176.35 176.39 1pg4 s LYS 433 N -2.03 2.40 -0.13 1.70 1.02 -1.26 0.38 119.74 121.82 1pg4 s LYS 433 Ca 0.34 -0.61 -0.35 0.00 0.02 0.00 0.00 55.97 55.38 1pg4 s LYS 433 Cb -0.14 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 34.95 1pg4 s LYS 433 CO 0.19 -0.15 1.91 0.00 -0.92 0.00 0.00 175.35 176.37 1pg4 n ALA 434 N 4.49 0.83 -0.13 5.17 0.00 -1.26 -1.25 120.51 128.36 1pg4 n ALA 434 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1pg4 n ALA 434 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1pg4 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg4 n GLY 435 N 4.59 0.60 3.62 0.00 0.00 -1.26 -4.62 105.19 108.12 1pg4 n GLY 435 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1pg4 n GLY 435 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pg4 s SER 436 N -2.78 5.21 0.22 1.61 0.15 -0.38 -4.70 113.70 113.03 1pg4 s SER 436 Ca 0.00 0.05 0.25 0.00 0.70 0.00 0.00 55.95 56.95 1pg4 s SER 436 Cb 0.00 -1.69 0.91 0.00 -1.71 0.00 0.00 66.02 63.52 1pg4 s SER 436 CO 0.00 0.27 1.74 0.00 1.20 0.00 0.00 173.24 176.45 1pg4 n ALA 437 N 2.89 1.95 -0.41 5.45 0.00 -1.05 -4.71 120.51 124.63 1pg4 n ALA 437 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pg4 n ALA 437 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1pg4 n ALA 437 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pg4 n THR 438 N -2.21 0.00 -4.07 0.00 -2.24 -1.19 -2.40 114.28 102.16 1pg4 n THR 438 Ca 0.04 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.57 1pg4 n THR 438 Cb 0.32 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1pg4 n THR 438 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pg4 s ARG 439 N 0.00 2.97 0.59 -0.78 0.52 -1.26 -0.57 118.95 120.42 1pg4 s ARG 439 Ca 0.00 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.14 1pg4 s ARG 439 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1pg4 s ARG 439 CO 0.00 0.47 1.22 -1.25 0.02 0.00 0.00 175.30 175.75 1pg4 s PRO 440 N -3.31 3.00 0.81 3.54 0.04 -1.26 -1.09 135.00 136.73 1pg4 s PRO 440 Ca 0.32 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1pg4 s PRO 440 Cb -0.10 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.57 1pg4 s PRO 440 CO 0.24 -1.19 1.15 0.12 0.04 0.00 0.00 177.00 177.36 1pg4 s PHE 441 N -1.57 2.91 0.22 0.56 5.36 0.77 -4.81 117.98 121.41 1pg4 s PHE 441 Ca 0.77 0.87 -0.32 0.00 -0.96 0.00 0.00 56.93 57.29 1pg4 s PHE 441 Cb -0.31 -3.36 -0.14 0.00 -0.34 0.00 0.00 43.02 38.88 1pg4 s PHE 441 CO 0.34 -1.80 1.40 1.19 -1.46 0.00 0.00 175.22 174.89 1pg4 n PHE 442 N -3.37 2.07 -0.88 10.12 0.99 -1.26 -1.62 117.46 123.51 1pg4 n PHE 442 Ca 0.07 0.44 0.00 0.00 -0.00 0.00 0.00 57.45 57.97 1pg4 n PHE 442 Cb 0.59 -2.45 0.00 0.00 -1.00 0.00 0.00 39.48 36.63 1pg4 n PHE 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pg4 n GLY 443 N 2.30 1.00 3.48 1.37 0.00 -1.26 -5.02 105.19 107.06 1pg4 n GLY 443 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1pg4 n GLY 443 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg4 s VAL 444 N -3.78 4.47 -0.62 1.61 1.01 -0.64 -4.54 120.40 117.90 1pg4 s VAL 444 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1pg4 s VAL 444 Cb 0.00 -3.08 0.16 0.00 0.00 0.00 0.00 36.38 33.46 1pg4 s VAL 444 CO 0.00 0.34 0.43 -1.10 0.00 0.00 0.00 175.10 174.77 1pg4 s GLN 445 N 1.48 2.53 0.58 2.72 -0.21 -1.26 -4.66 119.66 120.84 1pg4 s GLN 445 Ca 0.06 -2.57 -0.11 0.00 0.02 0.00 0.00 55.36 52.76 1pg4 s GLN 445 Cb -0.15 -3.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.12 1pg4 s GLN 445 CO 0.04 -1.17 0.98 -1.25 -2.12 0.00 0.00 175.29 171.77 1pg4 s PRO 446 N -0.15 3.63 0.10 2.91 0.04 -1.26 -1.13 135.00 139.13 1pg4 s PRO 446 Ca 0.17 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 1pg4 s PRO 446 Cb -0.21 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1pg4 s PRO 446 CO -0.03 -0.47 0.51 0.00 0.04 0.00 0.00 177.00 177.06 1pg4 s ALA 447 N -3.03 -1.30 -0.16 8.56 0.00 -0.25 -4.86 121.76 120.71 1pg4 s ALA 447 Ca 0.54 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1pg4 s ALA 447 Cb -0.11 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1pg4 s ALA 447 CO 0.50 -0.62 -0.19 -0.51 0.00 0.00 0.00 175.76 174.94 1pg4 s LEU 448 N -2.41 2.22 0.12 0.00 1.43 -1.26 -1.35 118.68 117.43 1pg4 s LEU 448 Ca -0.01 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1pg4 s LEU 448 Cb -0.00 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1pg4 s LEU 448 CO -0.08 0.04 -0.25 0.68 0.23 0.00 0.00 176.35 176.98 1pg4 s VAL 449 N 1.04 2.09 0.22 -1.59 -7.23 -0.59 0.31 120.40 114.65 1pg4 s VAL 449 Ca -0.01 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1pg4 s VAL 449 Cb -0.14 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 34.99 1pg4 s VAL 449 CO -0.06 0.07 0.25 -0.90 -0.31 0.00 0.00 175.10 174.15 1pg4 n ASP 450 N 1.03 -0.55 0.00 4.85 5.68 -0.61 -0.74 116.55 126.21 1pg4 n ASP 450 Ca -0.18 -0.88 0.08 0.00 -0.50 0.00 0.00 54.79 53.31 1pg4 n ASP 450 Cb 0.53 -0.21 0.41 0.00 -1.14 0.00 0.00 41.12 40.71 1pg4 n ASP 450 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pg4 n ASN 451 N -3.27 0.00 -0.67 -1.12 3.02 -1.26 -1.76 115.26 110.20 1pg4 n ASN 451 Ca 0.03 0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.91 1pg4 n ASN 451 Cb 0.12 -0.36 0.08 0.00 -0.61 0.00 0.00 39.78 39.00 1pg4 n ASN 451 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pg4 n GLU 452 N -1.36 1.66 -0.60 3.52 4.71 -1.26 -4.95 120.64 122.35 1pg4 n GLU 452 Ca 0.07 -1.35 0.00 0.00 -0.01 0.00 0.00 57.16 55.87 1pg4 n GLU 452 Cb 0.16 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1pg4 n GLU 452 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pg4 n GLY 453 N 1.38 0.75 3.69 0.62 0.00 -0.72 -5.03 105.19 105.87 1pg4 n GLY 453 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1pg4 n GLY 453 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg4 s HIS 454 N -2.61 3.54 0.29 1.61 3.76 -1.26 -4.75 115.29 115.87 1pg4 s HIS 454 Ca 0.00 1.58 -0.30 0.00 -0.15 0.00 0.00 55.06 56.19 1pg4 s HIS 454 Cb 0.00 -3.15 -0.11 0.00 1.11 0.00 0.00 32.58 30.43 1pg4 s HIS 454 CO 0.00 -0.18 1.52 -1.25 -0.85 0.00 0.00 174.74 173.99 1pg4 s PRO 455 N 1.79 4.17 -0.21 8.40 0.04 -1.26 -1.58 135.00 146.36 1pg4 s PRO 455 Ca 0.48 2.49 -0.08 0.00 0.04 0.00 0.00 61.00 63.92 1pg4 s PRO 455 Cb -0.19 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1pg4 s PRO 455 CO 0.19 -0.54 0.09 -0.65 0.04 0.00 0.00 177.00 176.13 1pg4 s GLN 456 N -0.76 3.95 0.33 4.56 -1.52 0.15 -4.91 119.66 121.45 1pg4 s GLN 456 Ca 0.60 -0.35 0.07 0.00 -1.95 0.00 0.00 55.36 53.73 1pg4 s GLN 456 Cb -0.46 -3.31 -0.01 0.00 -0.22 0.00 0.00 33.01 29.01 1pg4 s GLN 456 CO 0.49 0.15 0.43 -1.21 -0.25 0.00 0.00 175.29 174.90 1pg4 s GLU 457 N 0.73 3.08 2.26 2.91 0.41 -1.26 -4.55 118.70 122.28 1pg4 s GLU 457 Ca 0.05 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 1pg4 s GLU 457 Cb -0.13 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1pg4 s GLU 457 CO 0.02 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.30 1pg4 n GLY 458 N -1.58 -0.42 3.61 -1.39 0.00 -1.26 -4.48 105.19 99.67 1pg4 n GLY 458 Ca -0.01 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1pg4 n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 459 N -1.74 2.98 0.00 4.61 0.00 -1.26 -4.83 121.76 121.51 1pg4 s ALA 459 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1pg4 s ALA 459 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1pg4 s ALA 459 CO 0.00 -2.43 0.00 -2.37 0.00 0.00 0.00 175.76 170.96 1pg4 n THR 460 N 7.14 0.00 -3.64 0.00 5.66 -0.63 -4.98 114.28 117.83 1pg4 n THR 460 Ca 0.23 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.10 1pg4 n THR 460 Cb 0.46 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.18 1pg4 n THR 460 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1pg4 s GLU 461 N -0.15 0.95 0.00 1.09 1.03 -1.26 -0.83 118.70 119.53 1pg4 s GLU 461 Ca 0.00 -0.36 0.00 0.00 0.03 0.00 0.00 54.97 54.64 1pg4 s GLU 461 Cb 0.00 0.43 0.00 0.00 -0.80 0.00 0.00 34.13 33.76 1pg4 s GLU 461 CO 0.00 -0.33 0.00 0.41 -1.33 0.00 0.00 175.26 174.01 1pg4 n GLY 462 N 0.44 -0.54 3.70 -3.83 0.00 -0.47 -4.88 105.19 99.61 1pg4 n GLY 462 Ca -0.18 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1pg4 n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pg4 s ASN 463 N -4.00 7.24 -0.27 1.61 0.01 0.08 -1.48 114.94 118.12 1pg4 s ASN 463 Ca 0.00 1.72 -0.28 0.00 -0.71 0.00 0.00 52.86 53.59 1pg4 s ASN 463 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1pg4 s ASN 463 CO 0.00 -0.39 1.00 -0.22 -1.51 0.00 0.00 177.10 175.98 1pg4 s LEU 464 N 1.44 4.03 0.22 0.60 2.96 -0.22 -1.55 118.68 126.18 1pg4 s LEU 464 Ca 0.53 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.63 1pg4 s LEU 464 Cb -0.22 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1pg4 s LEU 464 CO 0.25 -0.73 -0.07 0.68 -1.32 0.00 0.00 176.35 175.15 1pg4 s VAL 465 N 3.31 1.44 -0.16 1.68 -7.23 -0.46 -2.37 120.40 116.61 1pg4 s VAL 465 Ca 0.42 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1pg4 s VAL 465 Cb -0.14 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1pg4 s VAL 465 CO 0.10 -0.46 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.61 1pg4 s ILE 466 N -3.16 1.96 -1.78 -0.62 -1.09 -0.22 -1.09 121.20 115.20 1pg4 s ILE 466 Ca 0.25 -0.89 0.30 0.00 -2.23 0.00 0.00 60.65 58.08 1pg4 s ILE 466 Cb 0.03 -1.77 0.61 0.00 -1.58 0.00 0.00 42.46 39.75 1pg4 s ILE 466 CO 0.08 0.53 1.99 0.35 -1.23 0.00 0.00 174.94 176.66 1pg4 n THR 467 N 4.44 0.00 -3.94 2.92 -2.24 -0.29 -1.23 114.28 113.95 1pg4 n THR 467 Ca -0.20 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1pg4 n THR 467 Cb 0.51 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1pg4 n THR 467 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pg4 s ASP 468 N -2.32 -0.13 0.75 3.42 -1.08 -1.26 -4.85 116.67 111.20 1pg4 s ASP 468 Ca 0.35 -0.82 -0.12 0.00 -0.52 0.00 0.00 52.55 51.44 1pg4 s ASP 468 Cb 0.21 0.60 0.04 0.00 -1.46 0.00 0.00 42.92 42.31 1pg4 s ASP 468 CO 0.43 -1.15 1.13 -0.55 0.52 0.00 0.00 175.17 175.55 1pg4 s SER 469 N -2.98 5.06 0.03 -0.34 0.15 -1.26 -4.75 113.70 109.62 1pg4 s SER 469 Ca 0.19 1.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 1pg4 s SER 469 Cb -0.01 -1.71 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1pg4 s SER 469 CO 0.07 -1.57 0.05 -1.66 1.20 0.00 0.00 173.24 171.32 1pg4 s TRP 470 N -3.42 0.25 0.34 3.44 -2.14 -1.26 -4.86 118.94 111.27 1pg4 s TRP 470 Ca 0.60 -0.55 0.11 0.00 2.66 0.00 0.00 56.10 58.91 1pg4 s TRP 470 Cb -0.11 -0.18 0.92 0.00 -3.10 0.00 0.00 33.47 31.00 1pg4 s TRP 470 CO 0.51 -0.31 1.75 -1.35 -2.66 0.00 0.00 176.95 174.88 1pg4 h PRO 471 N 3.90 0.55 -0.11 3.25 0.11 -1.92 -2.33 132.00 135.45 1pg4 h PRO 471 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pg4 h PRO 471 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pg4 h PRO 471 CO 0.49 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 1pg4 n GLY 472 N -1.35 -0.18 3.75 -0.55 0.00 -1.24 -3.04 105.19 102.58 1pg4 n GLY 472 Ca 0.26 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1pg4 n GLY 472 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pg4 n GLN 473 N -0.07 2.73 -1.75 1.61 7.27 -0.88 -3.03 117.38 123.25 1pg4 n GLN 473 Ca 0.15 0.97 -0.40 0.00 0.07 0.00 0.00 57.00 57.79 1pg4 n GLN 473 Cb 0.23 -2.75 0.02 0.00 2.41 0.00 0.00 30.24 30.15 1pg4 n GLN 473 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pg4 n ALA 474 N 1.90 1.88 0.02 1.69 0.00 -0.27 -4.83 120.51 120.89 1pg4 n ALA 474 Ca 0.07 0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.75 1pg4 n ALA 474 Cb 0.37 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.36 1pg4 n ALA 474 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pg4 n ARG 475 N -0.24 0.63 -2.95 0.00 5.12 -0.55 -5.01 116.66 113.66 1pg4 n ARG 475 Ca 0.06 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 1pg4 n ARG 475 Cb 0.41 -1.78 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 1pg4 n ARG 475 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1pg4 n THR 476 N -2.86 0.00 -4.48 0.55 5.66 -1.24 -4.78 114.28 107.13 1pg4 n THR 476 Ca -0.11 -0.16 -0.34 0.00 -3.05 0.00 0.00 64.05 60.39 1pg4 n THR 476 Cb 0.85 0.36 -0.14 0.00 -1.55 0.00 0.00 70.33 69.85 1pg4 n THR 476 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1pg4 s LEU 477 N 0.00 2.81 -0.07 1.09 1.43 -1.26 -1.29 118.68 121.38 1pg4 s LEU 477 Ca 0.15 -0.33 -0.38 0.00 -1.03 0.00 0.00 54.13 52.54 1pg4 s LEU 477 Cb -0.01 -1.66 -0.16 0.00 0.03 0.00 0.00 46.19 44.39 1pg4 s LEU 477 CO 0.01 0.11 1.53 0.33 0.23 0.00 0.00 176.35 178.56 1pg4 n PHE 478 N 3.89 1.78 -0.93 0.29 7.35 0.12 -0.80 117.46 129.16 1pg4 n PHE 478 Ca -0.18 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1pg4 n PHE 478 Cb 0.52 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.95 1pg4 n PHE 478 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pg4 n GLY 479 N 3.31 0.15 2.55 7.13 0.00 -1.26 -4.71 105.19 112.36 1pg4 n GLY 479 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1pg4 n GLY 479 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pg4 n ASP 480 N -0.61 -1.84 0.13 1.61 -0.08 0.02 -4.96 116.55 110.81 1pg4 n ASP 480 Ca 0.00 -3.00 0.01 0.00 -1.51 0.00 0.00 54.79 50.28 1pg4 n ASP 480 Cb 0.30 0.88 0.31 0.00 2.34 0.00 0.00 41.12 44.95 1pg4 n ASP 480 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1pg4 h HIS 481 N 4.24 0.18 -0.54 -0.67 -0.00 -1.90 -2.35 115.15 114.11 1pg4 h HIS 481 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1pg4 h HIS 481 Cb 0.98 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 1pg4 h HIS 481 CO 0.15 0.48 0.32 0.93 -0.00 0.00 0.00 177.93 179.80 1pg4 h GLU 482 N 0.14 0.75 -0.34 5.26 5.08 -1.93 -0.07 114.58 123.48 1pg4 h GLU 482 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1pg4 h GLU 482 Cb 0.66 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1pg4 h GLU 482 CO 0.05 0.56 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.46 1pg4 h ARG 483 N 0.73 0.55 0.12 2.33 2.43 -1.89 -1.01 114.38 117.65 1pg4 h ARG 483 Ca 0.19 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1pg4 h ARG 483 Cb 0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1pg4 h ARG 483 CO -0.03 0.63 -0.06 0.35 -1.51 0.00 0.00 179.97 179.34 1pg4 h PHE 484 N 0.52 -0.15 -0.41 2.20 3.57 -0.80 0.14 116.94 122.01 1pg4 h PHE 484 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1pg4 h PHE 484 Cb 0.43 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1pg4 h PHE 484 CO 0.02 -0.07 0.23 0.93 -2.23 0.00 0.00 178.31 177.19 1pg4 h GLU 485 N -0.19 0.56 -0.01 1.11 5.08 -0.75 -2.66 114.58 117.72 1pg4 h GLU 485 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1pg4 h GLU 485 Cb 0.15 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pg4 h GLU 485 CO 0.03 0.44 -0.00 0.37 -1.00 0.00 0.00 179.01 178.84 1pg4 h GLN 486 N 0.53 0.02 -0.46 2.33 4.15 -1.04 0.49 115.11 121.13 1pg4 h GLN 486 Ca 0.14 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.60 1pg4 h GLN 486 Cb 0.03 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1pg4 h GLN 486 CO -0.02 0.40 0.22 1.15 -1.93 0.00 0.00 178.83 178.65 1pg4 h THR 487 N -0.36 0.95 0.00 2.39 2.02 -0.74 -3.02 112.91 114.16 1pg4 h THR 487 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1pg4 h THR 487 Cb 0.39 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1pg4 h THR 487 CO 0.00 0.08 -1.79 -1.22 0.37 0.00 0.00 175.52 172.96 1pg4 n TYR 488 N -4.92 0.00 -0.56 3.16 4.02 -1.01 -4.70 117.16 113.17 1pg4 n TYR 488 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.94 1pg4 n TYR 488 Cb 0.13 -0.40 0.03 0.00 -0.02 0.00 0.00 39.34 39.07 1pg4 n TYR 488 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1pg4 n PHE 489 N -2.10 0.00 -0.01 -0.72 3.01 0.15 -0.53 117.46 117.25 1pg4 n PHE 489 Ca -0.03 -0.47 0.09 0.00 1.01 0.00 0.00 57.45 58.05 1pg4 n PHE 489 Cb 0.48 -0.06 -0.14 0.00 -0.01 0.00 0.00 39.48 39.74 1pg4 n PHE 489 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pg4 n SER 490 N -0.55 0.77 -0.04 4.37 3.41 -1.12 -4.33 113.62 116.13 1pg4 n SER 490 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 1pg4 n SER 490 Cb 0.41 1.82 -0.08 0.00 -0.26 0.00 0.00 64.21 66.10 1pg4 n SER 490 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pg4 h THR 491 N 0.00 1.36 -3.50 6.66 2.02 -1.86 -3.40 112.91 114.19 1pg4 h THR 491 Ca -0.01 -1.29 -0.62 0.00 0.77 0.00 0.00 66.41 65.26 1pg4 h THR 491 Cb 0.88 1.99 -0.39 0.00 -1.74 0.00 0.00 68.15 68.89 1pg4 h THR 491 CO 0.00 0.37 -0.75 -0.36 0.37 0.00 0.00 175.52 175.14 1pg4 s PHE 492 N -4.24 2.63 0.15 3.16 0.40 -1.26 -4.87 117.98 113.94 1pg4 s PHE 492 Ca -0.15 -2.16 -0.34 0.00 -0.60 0.00 0.00 56.93 53.69 1pg4 s PHE 492 Cb 0.04 -2.06 -0.16 0.00 0.51 0.00 0.00 43.02 41.35 1pg4 s PHE 492 CO 0.73 -0.86 1.17 1.63 0.70 0.00 0.00 175.22 178.59 1pg4 n LYS 493 N 4.59 1.05 -1.46 0.44 4.76 -1.26 -1.96 118.16 124.32 1pg4 n LYS 493 Ca -0.04 0.38 -0.15 0.00 -2.87 0.00 0.00 58.31 55.63 1pg4 n LYS 493 Cb 0.43 -1.88 -0.06 0.00 -1.84 0.00 0.00 35.03 31.67 1pg4 n LYS 493 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pg4 n ASN 494 N 2.08 -4.85 -4.07 4.39 3.02 -1.24 -4.99 115.26 109.60 1pg4 n ASN 494 Ca 0.16 0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.96 1pg4 n ASN 494 Cb 0.23 -3.70 -0.11 0.00 -0.61 0.00 0.00 39.78 35.58 1pg4 n ASN 494 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1pg4 s MET 495 N -3.32 0.56 -0.29 3.52 -1.94 -0.83 -4.82 119.30 112.19 1pg4 s MET 495 Ca 0.00 -0.83 -0.20 0.00 -1.71 0.00 0.00 55.69 52.94 1pg4 s MET 495 Cb 0.00 -0.27 -0.01 0.00 2.01 0.00 0.00 34.83 36.56 1pg4 s MET 495 CO 0.00 0.04 0.62 -0.47 -0.01 0.00 0.00 175.02 175.20 1pg4 s TYR 496 N -1.70 3.24 -0.28 -0.03 5.04 -0.36 -4.32 117.35 118.94 1pg4 s TYR 496 Ca -0.07 0.66 -0.14 0.00 -2.44 0.00 0.00 57.07 55.09 1pg4 s TYR 496 Cb -0.08 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1pg4 s TYR 496 CO -0.00 -0.41 0.31 0.12 -1.34 0.00 0.00 175.55 174.23 1pg4 s PHE 497 N 2.55 3.24 0.01 4.97 5.36 0.31 -1.06 117.98 133.37 1pg4 s PHE 497 Ca 0.25 0.29 0.25 0.00 -0.96 0.00 0.00 56.93 56.76 1pg4 s PHE 497 Cb -0.15 -2.51 0.83 0.00 -0.34 0.00 0.00 43.02 40.85 1pg4 s PHE 497 CO 0.10 -0.22 1.78 0.66 -1.46 0.00 0.00 175.22 176.09 1pg4 h SER 498 N 8.25 0.00 0.00 6.13 4.64 -1.79 -3.44 113.55 127.34 1pg4 h SER 498 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1pg4 h SER 498 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1pg4 h SER 498 CO 0.61 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 1pg4 n GLY 499 N 0.38 0.79 3.78 -0.77 0.00 -1.26 -5.04 105.19 103.07 1pg4 n GLY 499 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1pg4 n GLY 499 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 500 N -2.87 5.38 0.20 1.61 1.01 -1.26 -0.52 116.67 120.22 1pg4 s ASP 500 Ca 0.00 -0.21 0.09 0.00 0.71 0.00 0.00 52.55 53.14 1pg4 s ASP 500 Cb 0.00 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 1pg4 s ASP 500 CO 0.00 0.05 -0.05 -0.83 0.21 0.00 0.00 175.17 174.55 1pg4 s GLY 501 N -3.23 1.71 0.14 0.21 0.00 0.11 -1.05 107.32 105.20 1pg4 s GLY 501 Ca 0.31 -1.49 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 1pg4 s GLY 501 CO 0.23 -1.52 0.77 0.00 0.00 0.00 0.00 173.10 172.57 1pg4 s ALA 502 N -1.87 -1.60 0.16 3.20 0.00 -0.55 -1.85 121.76 119.25 1pg4 s ALA 502 Ca 0.27 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.74 1pg4 s ALA 502 Cb -0.08 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1pg4 s ALA 502 CO 0.17 -0.85 -0.20 -0.98 0.00 0.00 0.00 175.76 173.90 1pg4 s ARG 503 N -3.52 1.32 -0.07 0.00 1.70 -0.42 -1.37 118.95 116.59 1pg4 s ARG 503 Ca 0.06 -1.40 0.03 0.00 -0.47 0.00 0.00 55.73 53.94 1pg4 s ARG 503 Cb -0.02 -1.48 0.01 0.00 -0.57 0.00 0.00 34.95 32.89 1pg4 s ARG 503 CO -0.05 0.31 -0.14 0.50 -1.08 0.00 0.00 175.30 174.84 1pg4 s ARG 504 N -2.62 1.84 0.29 3.89 3.52 -0.01 0.10 118.95 125.95 1pg4 s ARG 504 Ca 0.16 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1pg4 s ARG 504 Cb -0.07 -1.51 0.06 0.00 -1.56 0.00 0.00 34.95 31.87 1pg4 s ARG 504 CO 0.07 0.07 0.40 -0.40 -0.81 0.00 0.00 175.30 174.62 1pg4 n ASP 505 N 3.70 0.40 0.24 -2.12 5.68 -0.48 -1.60 116.55 122.38 1pg4 n ASP 505 Ca -0.22 -1.37 0.13 0.00 -0.50 0.00 0.00 54.79 52.83 1pg4 n ASP 505 Cb 0.52 -0.27 0.76 0.00 -1.14 0.00 0.00 41.12 41.00 1pg4 n ASP 505 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pg4 h GLU 506 N 0.00 0.00 -0.01 0.11 -0.00 -1.93 -1.05 114.58 111.70 1pg4 h GLU 506 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.23 1pg4 h GLU 506 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 1pg4 h GLU 506 CO 0.13 0.00 -0.11 -0.25 -0.00 0.00 0.00 179.01 178.78 1pg4 n ASP 507 N -4.19 1.16 0.00 3.06 8.00 -1.26 -4.92 116.55 118.39 1pg4 n ASP 507 Ca -0.01 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1pg4 n ASP 507 Cb 0.16 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1pg4 n ASP 507 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg4 n GLY 508 N 1.24 0.75 3.76 0.44 0.00 -0.40 -5.04 105.19 105.94 1pg4 n GLY 508 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1pg4 n GLY 508 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pg4 s TYR 509 N -2.50 3.63 0.03 1.61 1.51 -1.26 -4.72 117.35 115.65 1pg4 s TYR 509 Ca 0.00 1.71 -0.05 0.00 -1.01 0.00 0.00 57.07 57.72 1pg4 s TYR 509 Cb 0.00 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1pg4 s TYR 509 CO 0.00 -0.45 0.26 0.71 -1.11 0.00 0.00 175.55 174.96 1pg4 s TYR 510 N -1.06 3.55 -0.25 2.71 1.51 0.27 -1.39 117.35 122.69 1pg4 s TYR 510 Ca 0.45 0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 57.00 1pg4 s TYR 510 Cb -0.31 -1.93 0.07 0.00 -0.11 0.00 0.00 41.96 39.68 1pg4 s TYR 510 CO 0.39 0.60 0.02 -1.58 -1.11 0.00 0.00 175.55 173.87 1pg4 s TRP 511 N -1.37 2.00 -0.13 2.71 0.52 0.11 -2.53 118.94 120.25 1pg4 s TRP 511 Ca 0.30 -1.63 -0.29 0.00 0.02 0.00 0.00 56.10 54.49 1pg4 s TRP 511 Cb -0.13 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 1pg4 s TRP 511 CO 0.19 -0.78 1.29 0.42 0.02 0.00 0.00 176.95 178.10 1pg4 s ILE 512 N 1.53 4.19 -2.63 2.03 -1.09 -1.26 -1.31 121.20 122.66 1pg4 s ILE 512 Ca 0.01 1.46 0.24 0.00 -2.23 0.00 0.00 60.65 60.13 1pg4 s ILE 512 Cb -0.18 -3.94 0.15 0.00 -1.58 0.00 0.00 42.46 36.91 1pg4 s ILE 512 CO -0.12 -0.10 1.24 0.35 -1.23 0.00 0.00 174.94 175.08 1pg4 n THR 513 N 5.22 0.00 0.00 2.92 -2.24 -0.77 -4.83 114.28 114.58 1pg4 n THR 513 Ca 0.14 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1pg4 n THR 513 Cb 0.45 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 1pg4 n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 514 N 1.36 1.56 3.77 3.38 0.00 -1.24 -4.92 105.19 109.10 1pg4 n GLY 514 Ca 0.13 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1pg4 n GLY 514 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg4 s ARG 515 N -1.60 4.23 0.00 1.61 1.81 -1.26 -0.71 118.95 123.03 1pg4 s ARG 515 Ca 0.00 2.39 0.16 0.00 -1.72 0.00 0.00 55.73 56.56 1pg4 s ARG 515 Cb 0.00 -3.03 0.04 0.00 -0.45 0.00 0.00 34.95 31.51 1pg4 s ARG 515 CO 0.00 -0.38 0.90 1.33 -0.68 0.00 0.00 175.30 176.47 1pg4 n VAL 516 N 0.96 0.00 -3.14 3.52 0.24 0.32 -4.80 118.33 115.43 1pg4 n VAL 516 Ca 0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1pg4 n VAL 516 Cb 0.40 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1pg4 n VAL 516 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pg4 n ASP 517 N 0.25 0.33 -2.66 -1.34 3.85 -1.23 -4.99 116.55 110.77 1pg4 n ASP 517 Ca 0.08 -0.97 -0.28 0.00 -0.71 0.00 0.00 54.79 52.90 1pg4 n ASP 517 Cb 0.36 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.07 1pg4 n ASP 517 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1pg4 n ASP 518 N -2.59 6.71 -4.33 -1.12 8.00 -1.26 -4.87 116.55 117.08 1pg4 n ASP 518 Ca 0.00 -3.08 -0.33 0.00 0.71 0.00 0.00 54.79 52.10 1pg4 n ASP 518 Cb 0.00 -1.29 -0.15 0.00 -0.02 0.00 0.00 41.12 39.66 1pg4 n ASP 518 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pg4 s VAL 519 N -1.46 2.75 0.36 2.53 1.01 -1.26 -1.45 120.40 122.88 1pg4 s VAL 519 Ca 0.59 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1pg4 s VAL 519 Cb 0.33 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1pg4 s VAL 519 CO -0.16 0.54 0.52 -0.76 0.00 0.00 0.00 175.10 175.24 1pg4 s LEU 520 N 0.27 3.93 -0.39 3.92 1.43 0.10 -4.71 118.68 123.23 1pg4 s LEU 520 Ca -0.12 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1pg4 s LEU 520 Cb -0.16 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.24 1pg4 s LEU 520 CO 0.06 -0.45 0.18 0.21 0.23 0.00 0.00 176.35 176.59 1pg4 s ASN 521 N -4.15 3.85 -0.31 2.29 3.04 -1.26 -2.02 114.94 116.38 1pg4 s ASN 521 Ca 0.44 -2.30 -0.08 0.00 0.04 0.00 0.00 52.86 50.96 1pg4 s ASN 521 Cb -0.10 -1.03 0.01 0.00 -1.54 0.00 0.00 41.25 38.59 1pg4 s ASN 521 CO 0.33 -0.32 0.12 -0.69 -3.04 0.00 0.00 177.10 173.51 1pg4 s VAL 522 N 0.77 4.29 -1.40 -5.21 1.01 -0.23 -2.88 120.40 116.74 1pg4 s VAL 522 Ca 0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1pg4 s VAL 522 Cb -0.22 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1pg4 s VAL 522 CO -0.08 0.03 0.50 -1.20 0.00 0.00 0.00 175.10 174.35 1pg4 n SER 523 N 4.93 -4.87 0.00 3.32 7.64 0.65 -0.50 113.62 124.78 1pg4 n SER 523 Ca -0.14 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1pg4 n SER 523 Cb 0.48 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1pg4 n SER 523 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg4 n GLY 524 N -1.30 0.41 3.28 0.23 0.00 -1.26 -4.85 105.19 101.69 1pg4 n GLY 524 Ca -0.07 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1pg4 n GLY 524 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg4 s HIS 525 N -2.00 2.63 -0.22 1.61 3.76 0.34 -4.91 115.29 116.50 1pg4 s HIS 525 Ca 0.00 -0.88 -0.29 0.00 -0.15 0.00 0.00 55.06 53.74 1pg4 s HIS 525 Cb 0.00 -1.74 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1pg4 s HIS 525 CO 0.00 -0.33 1.02 0.50 -0.85 0.00 0.00 174.74 175.08 1pg4 s ARG 526 N 0.27 4.27 0.04 1.40 3.52 -1.26 -1.07 118.95 126.12 1pg4 s ARG 526 Ca -0.15 1.33 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 1pg4 s ARG 526 Cb -0.17 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1pg4 s ARG 526 CO 0.07 -0.59 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.37 1pg4 s LEU 527 N 3.04 2.19 -0.09 -0.88 1.43 -0.86 -4.57 118.68 118.94 1pg4 s LEU 527 Ca 0.44 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 1pg4 s LEU 527 Cb -0.15 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1pg4 s LEU 527 CO 0.07 -0.07 0.49 -0.83 0.23 0.00 0.00 176.35 176.25 1pg4 s GLY 528 N -1.21 2.43 0.10 -3.19 0.00 -1.26 0.03 107.32 104.22 1pg4 s GLY 528 Ca -0.03 -0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 1pg4 s GLY 528 CO 0.01 0.73 1.73 -0.84 0.00 0.00 0.00 173.10 174.74 1pg4 h THR 529 N 4.58 1.03 -0.86 0.90 2.02 -1.47 -2.94 112.91 116.17 1pg4 h THR 529 Ca -0.42 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1pg4 h THR 529 Cb 1.19 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.51 1pg4 h THR 529 CO 0.74 0.03 0.55 0.00 0.37 0.00 0.00 175.52 177.20 1pg4 h ALA 530 N 1.00 1.15 -0.26 6.16 0.00 -1.78 -2.04 119.26 123.50 1pg4 h ALA 530 Ca 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1pg4 h ALA 530 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pg4 h ALA 530 CO -0.00 0.35 -0.12 1.05 0.00 0.00 0.00 179.25 180.53 1pg4 h GLU 531 N 1.04 0.43 -0.26 0.00 4.11 -1.71 0.11 114.58 118.29 1pg4 h GLU 531 Ca 0.36 -0.12 -0.18 0.00 0.07 0.00 0.00 59.36 59.49 1pg4 h GLU 531 Cb 0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pg4 h GLU 531 CO -0.14 0.56 -0.53 0.82 0.07 0.00 0.00 179.01 179.79 1pg4 h ILE 532 N 0.41 1.28 -0.49 -1.06 2.04 -1.28 -1.34 117.51 117.07 1pg4 h ILE 532 Ca 0.08 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.19 1pg4 h ILE 532 Cb 0.46 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1pg4 h ILE 532 CO 0.03 0.56 0.23 -0.33 0.00 0.00 0.00 178.15 178.63 1pg4 h GLU 533 N 0.60 0.72 -0.87 2.37 5.08 -0.99 -0.79 114.58 120.69 1pg4 h GLU 533 Ca 0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1pg4 h GLU 533 Cb 1.14 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1pg4 h GLU 533 CO 0.12 0.61 0.48 0.77 -1.00 0.00 0.00 179.01 179.98 1pg4 h SER 534 N 0.65 1.08 -0.45 1.42 0.02 -0.72 -0.54 113.55 115.02 1pg4 h SER 534 Ca 0.17 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1pg4 h SER 534 Cb 0.13 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1pg4 h SER 534 CO -0.02 0.87 0.21 0.00 -1.14 0.00 0.00 176.83 176.75 1pg4 h ALA 535 N 1.31 0.58 -0.22 3.77 0.00 -0.79 -2.20 119.26 121.71 1pg4 h ALA 535 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1pg4 h ALA 535 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pg4 h ALA 535 CO -0.05 0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.38 1pg4 h LEU 536 N 0.58 0.29 -1.91 0.00 3.38 -0.62 -2.80 115.31 114.23 1pg4 h LEU 536 Ca 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pg4 h LEU 536 Cb 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pg4 h LEU 536 CO -0.02 0.34 -0.02 0.58 0.09 0.00 0.00 178.44 179.41 1pg4 h VAL 537 N 0.21 0.08 0.00 1.22 2.07 -1.04 -1.78 116.25 117.01 1pg4 h VAL 537 Ca 0.07 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1pg4 h VAL 537 Cb 0.14 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1pg4 h VAL 537 CO -0.01 0.02 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 1pg4 h ALA 538 N 1.98 1.10 -2.61 1.67 0.00 -1.11 -3.43 119.26 116.86 1pg4 h ALA 538 Ca -0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1pg4 h ALA 538 Cb 0.37 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pg4 h ALA 538 CO 0.00 0.12 0.73 -1.58 0.00 0.00 0.00 179.25 178.52 1pg4 s HIS 539 N -3.90 3.20 0.55 0.00 5.04 -0.67 -4.91 115.29 114.60 1pg4 s HIS 539 Ca -0.01 0.98 0.31 0.00 -1.54 0.00 0.00 55.06 54.79 1pg4 s HIS 539 Cb 0.11 -3.71 1.47 0.00 0.04 0.00 0.00 32.58 30.49 1pg4 s HIS 539 CO 0.56 -2.45 1.89 -1.35 -2.34 0.00 0.00 174.74 171.05 1pg4 h PRO 540 N 6.28 0.00 -0.02 2.88 0.11 -1.88 -1.78 132.00 137.59 1pg4 h PRO 540 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pg4 h PRO 540 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pg4 h PRO 540 CO 0.84 0.00 -0.22 1.63 -0.21 0.00 0.00 178.00 180.04 1pg4 n LYS 541 N -4.15 1.47 -4.08 1.05 5.02 -1.26 -4.90 118.16 111.31 1pg4 n LYS 541 Ca 0.16 -1.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.02 1pg4 n LYS 541 Cb 0.90 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 1pg4 n LYS 541 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pg4 s ILE 542 N -2.28 4.62 -0.17 -0.18 1.01 -0.67 -1.16 121.20 122.37 1pg4 s ILE 542 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1pg4 s ILE 542 Cb 0.19 -3.07 -0.23 0.00 0.01 0.00 0.00 42.46 39.37 1pg4 s ILE 542 CO 0.45 0.47 0.16 0.00 0.00 0.00 0.00 174.94 176.02 1pg4 n ALA 543 N 3.49 1.11 -3.22 9.38 0.00 0.03 -4.75 120.51 126.55 1pg4 n ALA 543 Ca -0.17 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1pg4 n ALA 543 Cb 0.52 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1pg4 n ALA 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pg4 s GLU 544 N -2.54 1.14 -0.05 0.00 2.12 -1.12 -4.97 118.70 113.28 1pg4 s GLU 544 Ca -0.26 -0.51 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 1pg4 s GLU 544 Cb 0.07 0.51 0.05 0.00 0.26 0.00 0.00 34.13 35.03 1pg4 s GLU 544 CO 0.71 -0.46 0.50 0.00 -0.54 0.00 0.00 175.26 175.47 1pg4 s ALA 545 N -3.48 -1.29 -0.10 6.30 0.00 -1.26 -0.88 121.76 121.05 1pg4 s ALA 545 Ca 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1pg4 s ALA 545 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1pg4 s ALA 545 CO -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.35 1pg4 s ALA 546 N -1.12 0.79 -0.14 0.00 0.00 -0.41 -4.90 121.76 115.97 1pg4 s ALA 546 Ca -0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1pg4 s ALA 546 Cb -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1pg4 s ALA 546 CO 0.07 -0.60 0.02 0.08 0.00 0.00 0.00 175.76 175.32 1pg4 s VAL 547 N 1.94 4.42 0.09 0.00 1.01 -1.26 -0.77 120.40 125.83 1pg4 s VAL 547 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1pg4 s VAL 547 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1pg4 s VAL 547 CO -0.06 0.52 -0.07 0.68 0.00 0.00 0.00 175.10 176.17 1pg4 s VAL 548 N -0.04 0.70 -0.04 2.92 -7.23 -0.22 -4.93 120.40 111.56 1pg4 s VAL 548 Ca 0.04 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1pg4 s VAL 548 Cb -0.13 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1pg4 s VAL 548 CO 0.02 -0.77 0.20 -0.83 -0.31 0.00 0.00 175.10 173.41 1pg4 s GLY 549 N -2.76 2.20 0.11 2.32 0.00 -1.26 -1.08 107.32 106.85 1pg4 s GLY 549 Ca 0.08 -0.66 0.07 0.00 0.00 0.00 0.00 44.72 44.21 1pg4 s GLY 549 CO -0.03 -0.47 -0.17 -0.26 0.00 0.00 0.00 173.10 172.16 1pg4 s ILE 550 N -1.21 1.50 0.44 0.90 -4.36 -0.55 -4.91 121.20 113.01 1pg4 s ILE 550 Ca 0.23 -1.58 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 1pg4 s ILE 550 Cb -0.13 -1.48 -0.09 0.00 1.25 0.00 0.00 42.46 42.02 1pg4 s ILE 550 CO 0.13 -0.22 1.28 -2.65 0.24 0.00 0.00 174.94 173.72 1pg4 n PRO 551 N 0.89 1.90 -3.68 0.37 -0.02 -1.26 -0.27 135.00 132.92 1pg4 n PRO 551 Ca -0.18 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 1pg4 n PRO 551 Cb 0.55 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1pg4 n PRO 551 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pg4 s HIS 552 N -1.22 -0.34 0.52 6.00 2.46 -0.86 -4.61 115.29 117.25 1pg4 s HIS 552 Ca 0.62 0.84 0.30 0.00 0.47 0.00 0.00 55.06 57.29 1pg4 s HIS 552 Cb -0.49 -0.07 1.43 0.00 -0.13 0.00 0.00 32.58 33.32 1pg4 s HIS 552 CO 0.57 -0.30 1.87 0.00 -2.47 0.00 0.00 174.74 174.40 1pg4 h ALA 553 N 8.04 2.79 0.00 1.58 0.00 -1.95 -1.16 119.26 128.56 1pg4 h ALA 553 Ca -0.21 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 1pg4 h ALA 553 Cb 1.12 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1pg4 h ALA 553 CO 0.20 -1.06 -2.05 -0.89 0.00 0.00 0.00 179.25 175.44 1pg4 n ILE 554 N -4.30 1.15 0.78 0.00 2.08 -1.26 -4.68 119.36 113.13 1pg4 n ILE 554 Ca 0.20 -0.25 0.12 0.00 0.56 0.00 0.00 62.75 63.37 1pg4 n ILE 554 Cb 0.97 -1.81 0.50 0.00 -0.75 0.00 0.00 39.64 38.55 1pg4 n ILE 554 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1pg4 n LYS 555 N -3.94 0.04 0.00 0.38 5.02 -1.22 -4.57 118.16 113.86 1pg4 n LYS 555 Ca -0.39 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1pg4 n LYS 555 Cb 0.76 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1pg4 n LYS 555 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pg4 n GLY 556 N 0.94 2.05 3.02 0.72 0.00 -0.44 -0.25 105.19 111.22 1pg4 n GLY 556 Ca 0.06 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1pg4 n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pg4 s GLN 557 N 0.00 0.63 0.12 1.61 -0.21 -1.14 -2.02 119.66 118.65 1pg4 s GLN 557 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 55.36 55.09 1pg4 s GLN 557 Cb 0.00 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 33.38 1pg4 s GLN 557 CO 0.00 0.16 -0.03 0.00 -2.12 0.00 0.00 175.29 173.30 1pg4 s ALA 558 N -0.34 3.17 -0.27 6.09 0.00 0.62 -4.30 121.76 126.74 1pg4 s ALA 558 Ca 0.02 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 1pg4 s ALA 558 Cb -0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 1pg4 s ALA 558 CO -0.00 0.62 0.79 0.42 0.00 0.00 0.00 175.76 177.59 1pg4 s ILE 559 N -1.40 4.83 -0.25 0.00 1.01 -1.26 -1.48 121.20 122.65 1pg4 s ILE 559 Ca 0.25 1.36 -0.02 0.00 0.00 0.00 0.00 60.65 62.23 1pg4 s ILE 559 Cb -0.11 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1pg4 s ILE 559 CO 0.17 -0.14 -0.05 -0.47 0.00 0.00 0.00 174.94 174.45 1pg4 s TYR 560 N 2.86 3.04 -0.20 3.97 6.14 -0.24 -0.48 117.35 132.45 1pg4 s TYR 560 Ca 0.33 -1.39 -0.02 0.00 0.64 0.00 0.00 57.07 56.63 1pg4 s TYR 560 Cb -0.15 -2.08 0.00 0.00 0.42 0.00 0.00 41.96 40.15 1pg4 s TYR 560 CO 0.10 -0.68 -0.10 0.00 0.64 0.00 0.00 175.55 175.50 1pg4 s ALA 561 N 1.37 2.63 -0.14 3.97 0.00 0.03 -1.06 121.76 128.56 1pg4 s ALA 561 Ca 0.02 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1pg4 s ALA 561 Cb -0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1pg4 s ALA 561 CO -0.04 -0.38 0.72 0.71 0.00 0.00 0.00 175.76 176.77 1pg4 s TYR 562 N 1.38 3.47 -0.08 0.00 1.51 0.05 -0.77 117.35 122.91 1pg4 s TYR 562 Ca 0.05 1.16 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1pg4 s TYR 562 Cb -0.14 -2.87 0.01 0.00 -0.11 0.00 0.00 41.96 38.85 1pg4 s TYR 562 CO -0.06 -0.09 -0.15 0.08 -1.11 0.00 0.00 175.55 174.22 1pg4 s VAL 563 N 1.56 1.34 -0.26 0.71 1.01 -0.12 -1.29 120.40 123.35 1pg4 s VAL 563 Ca 0.35 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1pg4 s VAL 563 Cb -0.17 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1pg4 s VAL 563 CO 0.14 0.40 0.12 -0.89 0.00 0.00 0.00 175.10 174.87 1pg4 s THR 564 N 0.68 4.77 0.23 3.92 2.01 -0.06 -1.40 115.64 125.78 1pg4 s THR 564 Ca -0.14 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 1pg4 s THR 564 Cb -0.16 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1pg4 s THR 564 CO 0.04 0.32 0.55 -0.76 -0.69 0.00 0.00 174.62 174.07 1pg4 s LEU 565 N 1.55 4.17 0.85 4.42 1.43 -1.26 -0.79 118.68 129.04 1pg4 s LEU 565 Ca 0.06 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 1pg4 s LEU 565 Cb -0.15 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.49 1pg4 s LEU 565 CO 0.06 -0.07 1.09 0.20 0.23 0.00 0.00 176.35 177.87 1pg4 s ASN 566 N -2.36 3.86 0.69 2.29 0.01 -0.31 -4.70 114.94 114.43 1pg4 s ASN 566 Ca 0.47 1.70 -0.16 0.00 -0.71 0.00 0.00 52.86 54.16 1pg4 s ASN 566 Cb -0.11 -2.37 0.02 0.00 0.41 0.00 0.00 41.25 39.20 1pg4 s ASN 566 CO 0.21 -2.42 1.19 -1.00 -1.51 0.00 0.00 177.10 173.57 1pg4 s HIS 567 N -2.89 2.20 0.00 2.20 3.76 -1.26 -2.66 115.29 116.65 1pg4 s HIS 567 Ca 0.63 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 57.11 1pg4 s HIS 567 Cb -0.18 -3.43 0.00 0.00 1.11 0.00 0.00 32.58 30.08 1pg4 s HIS 567 CO 0.57 -2.40 0.00 0.41 -0.85 0.00 0.00 174.74 172.47 1pg4 n GLY 568 N 0.29 2.95 3.58 -2.22 0.00 -1.26 -4.97 105.19 103.55 1pg4 n GLY 568 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1pg4 n GLY 568 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg4 s GLU 569 N -0.24 3.80 -0.01 1.61 0.41 -1.09 -5.07 118.70 118.12 1pg4 s GLU 569 Ca 0.00 -0.09 0.03 0.00 -0.41 0.00 0.00 54.97 54.50 1pg4 s GLU 569 Cb 0.00 -3.73 -0.03 0.00 -1.78 0.00 0.00 34.13 28.58 1pg4 s GLU 569 CO 0.00 -0.45 -0.08 -1.21 -0.49 0.00 0.00 175.26 173.03 1pg4 s GLU 570 N 2.19 2.56 0.22 1.61 2.02 -1.26 -4.80 118.70 121.24 1pg4 s GLU 570 Ca 0.16 -0.70 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 1pg4 s GLU 570 Cb -0.16 -2.49 -0.11 0.00 0.10 0.00 0.00 34.13 31.48 1pg4 s GLU 570 CO 0.11 0.61 1.56 -2.14 0.02 0.00 0.00 175.26 175.42 1pg4 s PRO 571 N -1.25 4.20 0.19 0.39 0.02 -1.26 -4.89 135.00 132.40 1pg4 s PRO 571 Ca 0.16 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 1pg4 s PRO 571 Cb -0.11 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1pg4 s PRO 571 CO 0.06 -0.58 0.37 -1.54 -0.33 0.00 0.00 177.00 174.98 1pg4 s SER 572 N 0.80 -0.06 0.33 2.53 1.04 -1.26 -5.00 113.70 112.08 1pg4 s SER 572 Ca 0.66 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1pg4 s SER 572 Cb -0.45 0.50 0.62 0.00 0.10 0.00 0.00 66.02 66.79 1pg4 s SER 572 CO 0.38 -0.97 1.93 -0.65 0.98 0.00 0.00 173.24 174.90 1pg4 h PRO 573 N 2.41 0.88 -0.26 4.02 0.11 -2.00 -1.08 132.00 136.09 1pg4 h PRO 573 Ca -0.30 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1pg4 h PRO 573 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pg4 h PRO 573 CO 0.43 0.59 0.08 1.49 -0.21 0.00 0.00 178.00 180.38 1pg4 h GLU 574 N 0.91 0.41 -0.46 1.05 4.22 -1.98 -2.09 114.58 116.64 1pg4 h GLU 574 Ca 0.36 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 59.64 1pg4 h GLU 574 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1pg4 h GLU 574 CO -0.13 0.48 -0.02 1.25 -2.18 0.00 0.00 179.01 178.41 1pg4 h LEU 575 N 0.26 0.74 -0.24 1.64 5.85 -1.75 0.13 115.31 121.92 1pg4 h LEU 575 Ca 0.08 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1pg4 h LEU 575 Cb 0.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1pg4 h LEU 575 CO -0.00 0.81 0.14 0.22 -0.34 0.00 0.00 178.44 179.27 1pg4 h TYR 576 N 0.71 0.33 -0.39 1.25 3.20 -1.07 -0.19 116.97 120.81 1pg4 h TYR 576 Ca 0.14 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1pg4 h TYR 576 Cb 0.46 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1pg4 h TYR 576 CO 0.02 0.27 -0.01 0.00 -1.64 0.00 0.00 178.16 176.81 1pg4 h ALA 577 N 1.03 0.53 -0.76 1.82 0.00 -1.09 -2.44 119.26 118.34 1pg4 h ALA 577 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pg4 h ALA 577 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pg4 h ALA 577 CO -0.01 0.31 0.45 1.49 0.00 0.00 0.00 179.25 181.48 1pg4 h GLU 578 N 0.52 1.04 -0.29 0.00 4.81 -0.52 -0.71 114.58 119.43 1pg4 h GLU 578 Ca 0.11 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1pg4 h GLU 578 Cb 0.49 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1pg4 h GLU 578 CO 0.02 0.75 -0.00 0.28 -0.73 0.00 0.00 179.01 179.33 1pg4 h VAL 579 N 1.04 1.26 -0.16 0.32 2.07 -0.98 0.02 116.25 119.83 1pg4 h VAL 579 Ca 0.27 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1pg4 h VAL 579 Cb -0.01 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1pg4 h VAL 579 CO -0.05 0.30 0.09 0.03 0.02 0.00 0.00 177.57 177.97 1pg4 h ARG 580 N 0.31 0.22 0.00 1.57 3.08 -1.25 -2.23 114.38 116.07 1pg4 h ARG 580 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1pg4 h ARG 580 Cb 0.44 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pg4 h ARG 580 CO 0.02 0.20 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.09 1pg4 h ASN 581 N 0.17 0.00 -0.50 7.04 2.35 -1.05 -2.43 115.58 121.17 1pg4 h ASN 581 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1pg4 h ASN 581 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1pg4 h ASN 581 CO -0.01 0.12 0.03 -0.25 -1.65 0.00 0.00 177.43 175.67 1pg4 h TRP 582 N 0.00 0.93 -0.36 1.19 2.91 -0.37 -0.65 115.95 119.59 1pg4 h TRP 582 Ca -0.00 -0.15 -0.10 0.00 1.13 0.00 0.00 58.89 59.77 1pg4 h TRP 582 Cb 0.37 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1pg4 h TRP 582 CO 0.00 0.86 -0.19 0.28 -1.03 0.00 0.00 178.44 178.36 1pg4 h VAL 583 N 0.72 1.26 -0.52 2.65 2.07 -1.21 0.40 116.25 121.63 1pg4 h VAL 583 Ca 0.14 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1pg4 h VAL 583 Cb 0.47 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1pg4 h VAL 583 CO 0.02 0.42 0.21 -0.09 0.02 0.00 0.00 177.57 178.15 1pg4 h ARG 584 N 0.61 0.74 0.08 1.57 2.43 -1.05 -0.23 114.38 118.52 1pg4 h ARG 584 Ca 0.09 -0.10 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1pg4 h ARG 584 Cb 0.67 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1pg4 h ARG 584 CO 0.05 0.61 -1.17 -0.22 -1.51 0.00 0.00 179.97 177.73 1pg4 h LYS 585 N 0.74 0.63 -0.30 0.20 3.64 -0.61 -2.23 116.57 118.64 1pg4 h LYS 585 Ca 0.18 -0.78 -0.19 0.00 -1.27 0.00 0.00 60.65 58.59 1pg4 h LYS 585 Cb 0.14 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pg4 h LYS 585 CO -0.02 1.35 -0.54 0.93 -2.27 0.00 0.00 179.45 178.90 1pg4 h GLU 586 N 0.31 0.88 0.00 1.90 4.39 -0.65 -3.38 114.58 118.04 1pg4 h GLU 586 Ca -0.16 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1pg4 h GLU 586 Cb 1.83 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1pg4 h GLU 586 CO 0.22 1.19 -0.82 -0.89 -1.16 0.00 0.00 179.01 177.56 1pg4 n ILE 587 N -4.01 0.19 0.00 3.13 5.41 -0.12 -3.80 119.36 120.15 1pg4 n ILE 587 Ca -0.04 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1pg4 n ILE 587 Cb 0.62 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1pg4 n ILE 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pg4 n GLY 588 N 3.02 3.33 0.32 7.39 0.00 -0.84 -1.63 105.19 116.79 1pg4 n GLY 588 Ca 0.00 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.79 1pg4 n GLY 588 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg4 h PRO 589 N 0.00 0.00 0.00 1.61 0.13 -1.72 -2.09 132.00 129.94 1pg4 h PRO 589 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1pg4 h PRO 589 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pg4 h PRO 589 CO 0.00 0.00 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.62 1pg4 h LEU 590 N 0.00 0.00 -2.24 1.56 3.38 -1.93 -2.69 115.31 113.39 1pg4 h LEU 590 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pg4 h LEU 590 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pg4 h LEU 590 CO -0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1pg4 n ALA 591 N -2.19 2.43 -1.92 1.53 0.00 -0.78 -4.97 120.51 114.61 1pg4 n ALA 591 Ca -0.01 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 1pg4 n ALA 591 Cb 0.24 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1pg4 n ALA 591 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pg4 s THR 592 N -1.51 2.98 0.27 0.00 2.01 -1.02 -4.91 115.64 113.46 1pg4 s THR 592 Ca 0.39 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1pg4 s THR 592 Cb 0.23 -3.30 -0.12 0.00 0.01 0.00 0.00 72.50 69.32 1pg4 s THR 592 CO 0.31 0.00 1.63 -2.84 -0.69 0.00 0.00 174.62 173.04 1pg4 s PRO 593 N 2.50 4.12 0.14 4.92 0.02 -1.26 -4.75 135.00 140.68 1pg4 s PRO 593 Ca 0.74 2.59 0.13 0.00 0.02 0.00 0.00 61.00 64.48 1pg4 s PRO 593 Cb -0.40 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 30.98 1pg4 s PRO 593 CO 0.32 -0.67 1.13 -0.44 -0.33 0.00 0.00 177.00 177.01 1pg4 h ASP 594 N 5.37 0.00 -3.61 2.53 3.32 -1.14 -3.45 116.42 119.44 1pg4 h ASP 594 Ca -0.46 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.25 1pg4 h ASP 594 Cb 1.21 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 1pg4 h ASP 594 CO 0.84 0.71 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.63 1pg4 s VAL 595 N -2.84 0.29 -0.19 -1.35 1.01 -0.86 -5.03 120.40 111.43 1pg4 s VAL 595 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1pg4 s VAL 595 Cb 0.09 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1pg4 s VAL 595 CO 0.79 0.14 -0.14 -0.76 0.00 0.00 0.00 175.10 175.14 1pg4 s LEU 596 N 0.63 2.45 -0.34 3.92 1.43 -1.26 -0.79 118.68 124.71 1pg4 s LEU 596 Ca -0.07 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1pg4 s LEU 596 Cb -0.10 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.61 1pg4 s LEU 596 CO -0.01 0.00 0.08 -2.28 0.23 0.00 0.00 176.35 174.37 1pg4 s HIS 597 N 1.29 3.43 0.10 0.29 5.65 0.05 -4.99 115.29 121.10 1pg4 s HIS 597 Ca 0.04 -2.17 -0.30 0.00 0.25 0.00 0.00 55.06 52.88 1pg4 s HIS 597 Cb -0.14 -2.58 -0.06 0.00 -1.18 0.00 0.00 32.58 28.62 1pg4 s HIS 597 CO -0.08 -0.88 1.21 -1.58 -0.65 0.00 0.00 174.74 172.77 1pg4 s TRP 598 N 1.18 3.42 0.17 3.88 0.52 -1.26 -0.95 118.94 125.91 1pg4 s TRP 598 Ca 0.01 1.30 -0.23 0.00 0.02 0.00 0.00 56.10 57.21 1pg4 s TRP 598 Cb -0.21 -3.44 0.06 0.00 -1.15 0.00 0.00 33.47 28.73 1pg4 s TRP 598 CO -0.03 -1.34 0.63 -0.08 0.02 0.00 0.00 176.95 176.15 1pg4 s THR 599 N 0.78 0.00 0.00 2.01 -1.32 -0.49 -4.90 115.64 111.71 1pg4 s THR 599 Ca 0.58 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 1pg4 s THR 599 Cb -0.31 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 1pg4 s THR 599 CO 0.31 0.00 0.82 0.47 -2.21 0.00 0.00 174.62 174.01 1pg4 n ASP 600 N -0.39 1.31 -2.26 8.08 8.00 -1.26 -3.70 116.55 126.34 1pg4 n ASP 600 Ca -0.15 -1.65 -0.32 0.00 0.71 0.00 0.00 54.79 53.39 1pg4 n ASP 600 Cb 0.64 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.80 1pg4 n ASP 600 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pg4 n SER 601 N -0.33 6.78 -4.70 -2.24 7.64 -1.26 -5.03 113.62 114.49 1pg4 n SER 601 Ca 0.00 -3.78 -0.42 0.00 1.01 0.00 0.00 58.87 55.68 1pg4 n SER 601 Cb 0.33 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 1pg4 n SER 601 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pg4 s LEU 602 N -3.76 4.35 0.02 -3.43 1.43 -1.26 -4.76 118.68 111.27 1pg4 s LEU 602 Ca 0.60 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 1pg4 s LEU 602 Cb 0.47 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1pg4 s LEU 602 CO -0.01 -0.76 1.28 -2.16 0.23 0.00 0.00 176.35 174.92 1pg4 s PRO 603 N 2.10 4.35 0.07 1.29 0.04 -1.26 -5.03 135.00 136.57 1pg4 s PRO 603 Ca 0.68 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1pg4 s PRO 603 Cb -0.36 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 1pg4 s PRO 603 CO 0.29 -0.42 -0.07 0.15 0.04 0.00 0.00 177.00 176.99 1pg4 s LYS 604 N 1.76 0.70 0.89 4.56 1.02 -1.26 -1.76 119.74 125.65 1pg4 s LYS 604 Ca 0.60 -1.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1pg4 s LYS 604 Cb -0.30 -0.25 0.13 0.00 -0.52 0.00 0.00 37.83 36.89 1pg4 s LYS 604 CO 0.27 0.01 1.17 0.95 -0.92 0.00 0.00 175.35 176.83 1pg4 s THR 605 N -2.62 1.98 0.34 2.17 -4.23 0.92 -0.19 115.64 114.01 1pg4 s THR 605 Ca 0.02 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.88 1pg4 s THR 605 Cb -0.02 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 71.36 1pg4 s THR 605 CO -0.02 0.00 2.11 0.03 -0.54 0.00 0.00 174.62 176.20 1pg4 h ARG 606 N -1.40 0.00 -0.00 3.99 3.08 -1.87 -0.26 114.38 117.91 1pg4 h ARG 606 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1pg4 h ARG 606 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1pg4 h ARG 606 CO 0.60 0.04 -0.20 -1.13 -1.07 0.00 0.00 179.97 178.21 1pg4 n SER 607 N -3.22 0.51 0.00 7.04 3.41 -1.26 -4.93 113.62 115.17 1pg4 n SER 607 Ca -0.01 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1pg4 n SER 607 Cb 0.23 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1pg4 n SER 607 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pg4 n GLY 608 N 1.36 0.62 3.74 5.00 0.00 -0.11 -5.08 105.19 110.72 1pg4 n GLY 608 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1pg4 n GLY 608 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg4 s LYS 609 N -0.91 4.65 0.41 1.61 3.01 -1.26 -4.67 119.74 122.58 1pg4 s LYS 609 Ca 0.00 1.62 -0.25 0.00 -1.01 0.00 0.00 55.97 56.33 1pg4 s LYS 609 Cb 0.00 -3.30 -0.08 0.00 -1.01 0.00 0.00 37.83 33.43 1pg4 s LYS 609 CO 0.00 0.17 1.19 0.42 0.51 0.00 0.00 175.35 177.64 1pg4 s ILE 610 N -0.30 3.06 -0.36 2.17 -1.09 -1.26 -0.06 121.20 123.36 1pg4 s ILE 610 Ca 0.48 0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 59.77 1pg4 s ILE 610 Cb -0.27 -3.50 0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1pg4 s ILE 610 CO 0.33 0.08 0.11 -0.04 -1.23 0.00 0.00 174.94 174.19 1pg4 s MET 611 N -2.32 2.12 0.11 2.79 1.00 -0.72 -4.87 119.30 117.41 1pg4 s MET 611 Ca 0.58 -1.61 0.15 0.00 0.00 0.00 0.00 55.69 54.81 1pg4 s MET 611 Cb -0.32 -3.39 -0.10 0.00 0.00 0.00 0.00 34.83 31.02 1pg4 s MET 611 CO 0.40 -0.88 1.02 0.00 0.00 0.00 0.00 175.02 175.56 1pg4 h ARG 612 N 7.99 0.00 -0.50 2.03 3.08 -1.95 -3.34 114.38 121.69 1pg4 h ARG 612 Ca -0.15 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.00 1pg4 h ARG 612 Cb 1.05 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.02 1pg4 h ARG 612 CO 0.62 0.45 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.86 1pg4 h ARG 613 N 0.00 0.09 -0.36 0.04 2.43 -1.99 0.48 114.38 115.07 1pg4 h ARG 613 Ca -0.12 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1pg4 h ARG 613 Cb 1.61 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1pg4 h ARG 613 CO 0.07 0.06 -0.25 -0.84 -1.51 0.00 0.00 179.97 177.49 1pg4 h ILE 614 N 0.10 1.27 -0.74 1.20 3.07 -2.00 -1.84 117.51 118.57 1pg4 h ILE 614 Ca 0.25 -1.37 -0.06 0.00 1.55 0.00 0.00 64.86 65.23 1pg4 h ILE 614 Cb 0.38 1.27 -0.03 0.00 -0.27 0.00 0.00 36.82 38.17 1pg4 h ILE 614 CO -0.43 0.45 0.22 -0.07 -1.05 0.00 0.00 178.15 177.27 1pg4 h LEU 615 N 0.63 1.09 -0.08 0.16 3.38 -1.29 -1.31 115.31 117.89 1pg4 h LEU 615 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pg4 h LEU 615 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1pg4 h LEU 615 CO 0.06 1.01 0.03 -0.09 0.09 0.00 0.00 178.44 179.54 1pg4 h ARG 616 N 1.10 0.12 -0.82 1.13 2.43 0.12 -1.41 114.38 117.06 1pg4 h ARG 616 Ca 0.24 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1pg4 h ARG 616 Cb 0.32 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1pg4 h ARG 616 CO -0.01 0.27 0.50 0.87 -1.51 0.00 0.00 179.97 180.09 1pg4 h LYS 617 N -0.04 1.11 -0.57 0.20 1.57 -1.17 -1.85 116.57 115.82 1pg4 h LYS 617 Ca 0.03 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1pg4 h LYS 617 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1pg4 h LYS 617 CO -0.00 0.78 0.11 0.82 -0.57 0.00 0.00 179.45 180.58 1pg4 h ILE 618 N 1.13 1.25 -0.21 1.86 2.04 -1.13 0.03 117.51 122.48 1pg4 h ILE 618 Ca 0.30 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1pg4 h ILE 618 Cb -0.05 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1pg4 h ILE 618 CO -0.06 0.35 -0.13 0.00 0.00 0.00 0.00 178.15 178.31 1pg4 h ALA 619 N 1.01 1.39 0.00 1.87 0.00 -0.92 -2.32 119.26 120.28 1pg4 h ALA 619 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pg4 h ALA 619 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pg4 h ALA 619 CO 0.01 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.48 1pg4 h ALA 620 N 1.55 0.88 0.00 0.00 0.00 -1.10 -3.48 119.26 117.11 1pg4 h ALA 620 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pg4 h ALA 620 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pg4 h ALA 620 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1pg4 n GLY 621 N 1.25 2.09 0.00 0.00 0.00 -0.69 -4.98 105.19 102.85 1pg4 n GLY 621 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pg4 n GLY 621 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg4 n ASP 622 N 0.00 0.00 0.00 1.61 5.75 -0.09 -4.93 116.55 118.89 1pg4 n ASP 622 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1pg4 n ASP 622 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1pg4 n ASP 622 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pg4 n GLY 627 N 4.59 1.30 0.86 6.12 0.00 -1.26 -4.82 105.19 111.98 1pg4 n GLY 627 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1pg4 n GLY 627 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg4 n ASP 628 N 0.00 3.04 -0.30 1.61 3.85 -1.26 -4.64 116.55 118.85 1pg4 n ASP 628 Ca 0.00 -1.89 0.12 0.00 -0.71 0.00 0.00 54.79 52.31 1pg4 n ASP 628 Cb 0.00 -0.22 0.29 0.00 -1.35 0.00 0.00 41.12 39.84 1pg4 n ASP 628 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1pg4 h THR 629 N 3.15 0.51 0.00 2.12 2.02 -1.98 -0.75 112.91 117.98 1pg4 h THR 629 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1pg4 h THR 629 Cb 0.80 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1pg4 h THR 629 CO 0.00 0.08 -0.22 0.77 0.37 0.00 0.00 175.52 176.52 1pg4 h SER 630 N 0.42 0.00 0.85 4.18 4.64 -1.98 -2.65 113.55 119.01 1pg4 h SER 630 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1pg4 h SER 630 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1pg4 h SER 630 CO -0.51 0.22 -0.03 1.07 -0.87 0.00 0.00 176.83 176.71 1pg4 n THR 631 N -3.85 0.00 -2.61 2.95 5.66 -0.29 -4.86 114.28 111.27 1pg4 n THR 631 Ca -0.02 -0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 1pg4 n THR 631 Cb 0.31 -0.45 -0.04 0.00 -1.55 0.00 0.00 70.33 68.60 1pg4 n THR 631 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1pg4 s LEU 632 N -2.88 3.90 0.34 1.09 1.43 -1.00 -4.14 118.68 117.42 1pg4 s LEU 632 Ca 0.18 1.88 0.12 0.00 -1.03 0.00 0.00 54.13 55.28 1pg4 s LEU 632 Cb 0.19 -4.51 0.61 0.00 0.03 0.00 0.00 46.19 42.51 1pg4 s LEU 632 CO 0.52 -0.64 1.76 0.00 0.23 0.00 0.00 176.35 178.22 1pg4 h ALA 633 N 1.75 1.25 -2.46 4.21 0.00 -0.78 -3.37 119.26 119.87 1pg4 h ALA 633 Ca -0.49 -0.41 -0.55 0.00 0.00 0.00 0.00 54.91 53.46 1pg4 h ALA 633 Cb 1.21 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.55 1pg4 h ALA 633 CO 0.60 0.56 -0.84 0.34 0.00 0.00 0.00 179.25 179.90 1pg4 s ASP 634 N -6.89 2.53 0.65 0.00 2.15 -1.26 -4.98 116.67 108.86 1pg4 s ASP 634 Ca -0.02 -2.20 0.36 0.00 0.43 0.00 0.00 52.55 51.11 1pg4 s ASP 634 Cb 0.14 -0.26 1.96 0.00 -0.30 0.00 0.00 42.92 44.46 1pg4 s ASP 634 CO 0.73 -0.29 2.14 1.55 -0.17 0.00 0.00 175.17 179.14 1pg4 h PRO 635 N 6.86 0.00 0.00 4.34 0.15 -1.77 -2.09 132.00 139.49 1pg4 h PRO 635 Ca 0.08 0.00 0.00 0.00 0.15 0.00 0.00 66.00 66.23 1pg4 h PRO 635 Cb 0.98 0.00 0.00 0.00 0.15 0.00 0.00 31.00 32.13 1pg4 h PRO 635 CO 0.26 0.00 0.00 0.41 0.15 0.00 0.00 178.00 178.82 1pg4 n GLY 636 N -1.21 -0.96 0.15 1.56 0.00 -1.26 -2.52 105.19 100.95 1pg4 n GLY 636 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1pg4 n GLY 636 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1pg4 h VAL 637 N 0.00 1.30 0.43 1.61 -1.51 -1.68 -3.22 116.25 113.17 1pg4 h VAL 637 Ca 0.00 -1.94 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 1pg4 h VAL 637 Cb 0.18 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1pg4 h VAL 637 CO 0.00 0.54 -0.21 0.58 -1.23 0.00 0.00 177.57 177.25 1pg4 h VAL 638 N 0.00 0.58 -0.85 7.19 2.07 -1.73 -0.33 116.25 123.18 1pg4 h VAL 638 Ca -0.01 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1pg4 h VAL 638 Cb 1.03 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1pg4 h VAL 638 CO 0.07 0.01 0.56 -0.33 0.02 0.00 0.00 177.57 177.89 1pg4 h GLU 639 N -0.60 0.91 -0.17 1.57 3.07 -1.74 -1.51 114.58 116.12 1pg4 h GLU 639 Ca -0.06 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.68 1pg4 h GLU 639 Cb 0.45 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1pg4 h GLU 639 CO 0.10 0.60 -0.14 1.57 -1.40 0.00 0.00 179.01 179.74 1pg4 h LYS 640 N 0.94 0.39 -0.84 2.33 2.10 -1.53 -2.87 116.57 117.09 1pg4 h LYS 640 Ca 0.37 -0.20 0.07 0.00 -2.00 0.00 0.00 60.65 58.89 1pg4 h LYS 640 Cb 0.23 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.51 1pg4 h LYS 640 CO -0.14 0.75 0.55 -0.07 -2.00 0.00 0.00 179.45 178.54 1pg4 h LEU 641 N 0.04 0.80 -0.07 7.07 3.38 -0.55 -1.41 115.31 124.58 1pg4 h LEU 641 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pg4 h LEU 641 Cb 0.66 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pg4 h LEU 641 CO 0.04 0.51 0.04 -0.07 0.09 0.00 0.00 178.44 179.04 1pg4 h LEU 642 N 0.90 0.08 -0.82 1.67 3.38 -1.21 0.58 115.31 119.89 1pg4 h LEU 642 Ca 0.36 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1pg4 h LEU 642 Cb 0.26 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1pg4 h LEU 642 CO -0.13 0.10 0.50 -0.33 0.09 0.00 0.00 178.44 178.66 1pg4 h GLU 643 N 0.05 1.10 -0.51 1.13 5.08 -1.16 -0.47 114.58 119.80 1pg4 h GLU 643 Ca 0.02 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1pg4 h GLU 643 Cb 0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1pg4 h GLU 643 CO -0.00 0.77 -0.10 0.93 -1.00 0.00 0.00 179.01 179.61 1pg4 h GLU 644 N 1.12 0.96 -0.00 2.33 5.08 -1.06 -2.61 114.58 120.40 1pg4 h GLU 644 Ca 0.29 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1pg4 h GLU 644 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1pg4 h GLU 644 CO -0.06 1.03 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.51 1pg4 h LYS 645 N 0.83 0.00 -0.27 2.33 1.63 -0.46 -2.56 116.57 118.07 1pg4 h LYS 645 Ca 0.13 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.81 1pg4 h LYS 645 Cb 0.66 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1pg4 h LYS 645 CO 0.05 0.26 -0.33 0.37 -3.45 0.00 0.00 179.45 176.34 1pg4 h GLN 646 N 0.00 0.59 0.00 1.90 4.15 -0.73 -3.51 115.11 117.51 1pg4 h GLN 646 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1pg4 h GLN 646 Cb 0.45 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1pg4 h GLN 646 CO 0.03 0.84 0.00 0.00 -1.93 0.00 0.00 178.83 177.77