#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg3 s LYS 6 N 0.00 3.82 -0.28 1.57 1.02 -1.26 -4.47 119.74 120.14 1pg3 s LYS 6 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 1pg3 s LYS 6 Cb 0.00 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1pg3 s LYS 6 CO 0.00 0.48 0.22 -1.01 -0.92 0.00 0.00 175.35 174.12 1pg3 s HIS 7 N -0.19 3.22 1.00 3.18 3.76 0.64 -4.94 115.29 121.97 1pg3 s HIS 7 Ca 0.10 0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 55.05 1pg3 s HIS 7 Cb -0.12 -2.41 0.19 0.00 1.11 0.00 0.00 32.58 31.36 1pg3 s HIS 7 CO 0.01 -0.17 1.08 0.00 -0.85 0.00 0.00 174.74 174.81 1pg3 s ALA 8 N 1.80 0.76 -0.17 -1.40 0.00 -1.26 -1.69 121.76 119.80 1pg3 s ALA 8 Ca 0.08 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 1pg3 s ALA 8 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1pg3 s ALA 8 CO 0.11 -3.03 0.88 0.42 0.00 0.00 0.00 175.76 174.13 1pg3 s ILE 9 N -2.68 4.85 0.37 0.00 1.01 -1.26 -4.80 121.20 118.68 1pg3 s ILE 9 Ca 0.66 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.76 1pg3 s ILE 9 Cb -0.22 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 1pg3 s ILE 9 CO 0.60 -0.00 1.36 -2.65 0.00 0.00 0.00 174.94 174.25 1pg3 n PRO 10 N 5.34 2.30 -0.34 2.79 -0.02 -1.26 -4.79 135.00 139.02 1pg3 n PRO 10 Ca 0.06 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1pg3 n PRO 10 Cb 0.48 -2.47 0.20 0.00 -0.02 0.00 0.00 33.50 31.69 1pg3 n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pg3 h ALA 11 N 2.62 1.37 -0.75 3.55 0.00 -1.98 -0.46 119.26 123.61 1pg3 h ALA 11 Ca -0.48 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pg3 h ALA 11 Cb 1.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1pg3 h ALA 11 CO 0.63 0.25 0.45 -2.95 0.00 0.00 0.00 179.25 177.63 1pg3 h ASN 12 N 0.99 0.89 -0.15 0.00 -1.07 -1.98 0.40 115.58 114.66 1pg3 h ASN 12 Ca 0.44 -0.05 -0.07 0.00 0.07 0.00 0.00 56.30 56.70 1pg3 h ASN 12 Cb 0.35 -0.22 -0.00 0.00 -2.07 0.00 0.00 38.32 36.37 1pg3 h ASN 12 CO -0.23 0.68 -0.19 0.40 0.07 0.00 0.00 177.43 178.16 1pg3 h ILE 13 N 1.03 1.35 -0.56 6.14 1.08 -1.50 -3.18 117.51 121.87 1pg3 h ILE 13 Ca 0.27 -1.39 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 1pg3 h ILE 13 Cb -0.05 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 1pg3 h ILE 13 CO -0.05 0.41 0.24 0.00 -0.69 0.00 0.00 178.15 178.06 1pg3 h ALA 14 N 0.59 1.37 0.00 1.87 0.00 -0.85 0.74 119.26 122.97 1pg3 h ALA 14 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pg3 h ALA 14 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pg3 h ALA 14 CO 0.04 0.48 -0.00 -0.44 0.00 0.00 0.00 179.25 179.33 1pg3 h ASP 15 N 0.79 0.00 0.00 0.00 5.19 -0.90 -3.26 116.42 118.24 1pg3 h ASP 15 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1pg3 h ASP 15 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1pg3 h ASP 15 CO -0.02 0.00 0.00 -2.11 -3.12 0.00 0.00 179.24 173.99 1pg3 n ARG 16 N -3.11 0.84 -1.20 3.56 1.85 -0.99 -5.10 116.66 112.51 1pg3 n ARG 16 Ca -0.02 -0.12 -0.35 0.00 -1.00 0.00 0.00 57.85 56.36 1pg3 n ARG 16 Cb 0.12 -0.50 0.09 0.00 -1.05 0.00 0.00 32.46 31.13 1pg3 n ARG 16 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pg3 h LEU 18 N -0.59 0.00 -7.57 0.00 3.38 -1.90 -3.44 115.31 105.18 1pg3 h LEU 18 Ca -0.46 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.95 1pg3 h LEU 18 Cb 1.33 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.69 1pg3 h LEU 18 CO 0.43 0.58 -0.79 -0.63 0.09 0.00 0.00 178.44 178.12 1pg3 s ILE 19 N -2.92 1.13 0.63 1.22 -1.09 -1.26 -5.06 121.20 113.84 1pg3 s ILE 19 Ca -0.02 -0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1pg3 s ILE 19 Cb 0.09 -1.38 0.07 0.00 -1.58 0.00 0.00 42.46 39.65 1pg3 s ILE 19 CO 0.80 0.01 0.88 0.54 -1.23 0.00 0.00 174.94 175.95 1pg3 s ASN 20 N 1.60 4.89 0.24 3.58 2.20 -1.25 -3.12 114.94 123.08 1pg3 s ASN 20 Ca -0.01 -0.09 -0.05 0.00 -0.94 0.00 0.00 52.86 51.77 1pg3 s ASN 20 Cb -0.17 -0.59 0.45 0.00 -2.00 0.00 0.00 41.25 38.94 1pg3 s ASN 20 CO -0.07 -1.46 1.70 -0.65 -2.94 0.00 0.00 177.10 173.69 1pg3 h PRO 21 N -0.22 0.32 -0.05 3.55 0.11 -1.69 -2.19 132.00 131.84 1pg3 h PRO 21 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pg3 h PRO 21 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pg3 h PRO 21 CO 0.49 0.21 0.02 0.93 -0.21 0.00 0.00 178.00 179.44 1pg3 h GLU 22 N 0.33 0.07 -0.87 1.05 3.07 -1.93 -2.96 114.58 113.35 1pg3 h GLU 22 Ca 0.41 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.32 1pg3 h GLU 22 Cb 0.66 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 1pg3 h GLU 22 CO -0.46 0.18 0.54 1.96 -1.40 0.00 0.00 179.01 179.83 1pg3 h GLN 23 N -0.06 0.95 0.43 2.33 4.20 -1.82 -2.19 115.11 118.95 1pg3 h GLN 23 Ca 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pg3 h GLN 23 Cb 0.14 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1pg3 h GLN 23 CO -0.00 0.63 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.59 1pg3 h TYR 24 N 0.98 -0.74 -0.36 2.96 3.20 -1.35 -0.09 116.97 121.57 1pg3 h TYR 24 Ca 0.38 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.32 1pg3 h TYR 24 Cb 0.18 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 1pg3 h TYR 24 CO -0.03 -0.43 -0.16 0.93 -1.64 0.00 0.00 178.16 176.84 1pg3 h GLU 25 N -0.69 -0.09 0.00 1.82 4.39 -1.32 0.45 114.58 119.15 1pg3 h GLU 25 Ca -0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1pg3 h GLU 25 Cb 0.57 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1pg3 h GLU 25 CO 0.03 -0.06 -0.00 1.79 -1.16 0.00 0.00 179.01 179.61 1pg3 h THR 26 N -0.09 1.27 -0.97 1.13 1.35 -1.34 -1.69 112.91 112.57 1pg3 h THR 26 Ca 0.18 -0.81 0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1pg3 h THR 26 Cb 0.37 1.82 -0.05 0.00 -1.73 0.00 0.00 68.15 68.55 1pg3 h THR 26 CO -0.42 0.21 0.64 0.11 -0.25 0.00 0.00 175.52 175.81 1pg3 h LYS 27 N -0.35 1.22 -0.35 4.72 1.57 -0.76 -1.17 116.57 121.46 1pg3 h LYS 27 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1pg3 h LYS 27 Cb 0.35 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1pg3 h LYS 27 CO 0.00 0.81 0.18 -0.92 -0.57 0.00 0.00 179.45 178.96 1pg3 h TYR 28 N 1.26 0.50 -0.34 -1.35 3.20 -0.05 0.80 116.97 120.98 1pg3 h TYR 28 Ca 0.37 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.27 1pg3 h TYR 28 Cb -0.06 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1pg3 h TYR 28 CO -0.00 0.41 0.11 -0.22 -1.64 0.00 0.00 178.16 176.81 1pg3 h LYS 29 N 0.44 0.24 -0.52 1.82 3.64 -0.68 -1.89 116.57 119.61 1pg3 h LYS 29 Ca 0.12 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1pg3 h LYS 29 Cb 0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1pg3 h LYS 29 CO -0.02 0.16 0.02 0.37 -2.27 0.00 0.00 179.45 177.71 1pg3 h GLN 30 N 0.24 0.91 0.00 1.90 4.15 -1.03 -0.21 115.11 121.08 1pg3 h GLN 30 Ca 0.16 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1pg3 h GLN 30 Cb 0.15 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1pg3 h GLN 30 CO -0.18 0.93 -0.00 0.66 -1.93 0.00 0.00 178.83 178.31 1pg3 h SER 31 N 0.79 0.00 0.01 -0.69 4.64 -0.33 0.33 113.55 118.29 1pg3 h SER 31 Ca 0.15 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.10 1pg3 h SER 31 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1pg3 h SER 31 CO 0.02 0.00 -2.07 -0.38 -0.87 0.00 0.00 176.83 173.53 1pg3 n ILE 32 N -3.25 1.55 0.01 0.95 2.08 -0.76 -3.68 119.36 116.26 1pg3 n ILE 32 Ca -0.03 -0.30 -0.13 0.00 0.56 0.00 0.00 62.75 62.85 1pg3 n ILE 32 Cb 0.08 -1.88 -0.01 0.00 -0.75 0.00 0.00 39.64 37.08 1pg3 n ILE 32 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1pg3 h ASN 33 N -0.83 0.70 -2.12 4.38 2.35 -0.87 -3.38 115.58 115.81 1pg3 h ASN 33 Ca -0.55 -0.44 -0.57 0.00 -0.55 0.00 0.00 56.30 54.18 1pg3 h ASN 33 Cb 1.57 -0.20 -0.40 0.00 0.05 0.00 0.00 38.32 39.34 1pg3 h ASN 33 CO -0.29 1.20 -0.97 -0.67 -1.65 0.00 0.00 177.43 175.05 1pg3 n ASP 34 N -3.90 0.88 -0.22 5.81 -0.08 0.11 -4.96 116.55 114.18 1pg3 n ASP 34 Ca -0.05 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.42 1pg3 n ASP 34 Cb 0.70 -0.64 0.23 0.00 2.34 0.00 0.00 41.12 43.76 1pg3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1pg3 h PRO 35 N 4.29 1.00 -0.48 -0.67 0.13 -1.63 -1.68 132.00 132.96 1pg3 h PRO 35 Ca 0.12 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1pg3 h PRO 35 Cb 0.84 -0.22 -0.07 0.00 0.13 0.00 0.00 31.00 31.68 1pg3 h PRO 35 CO 0.53 0.68 0.11 -0.44 -0.23 0.00 0.00 178.00 178.65 1pg3 h ASP 36 N 1.03 0.03 -0.07 1.44 3.45 -1.91 0.24 116.42 120.62 1pg3 h ASP 36 Ca 0.27 0.08 -0.15 0.00 0.43 0.00 0.00 57.03 57.66 1pg3 h ASP 36 Cb -0.09 0.11 0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1pg3 h ASP 36 CO -0.06 0.05 -0.55 0.74 -1.57 0.00 0.00 179.24 177.85 1pg3 h THR 37 N 0.25 1.38 0.84 0.35 2.02 -1.88 0.31 112.91 116.18 1pg3 h THR 37 Ca 0.24 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.47 1pg3 h THR 37 Cb 0.31 2.31 0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1pg3 h THR 37 CO -0.30 0.57 -0.41 0.15 0.37 0.00 0.00 175.52 175.90 1pg3 h PHE 38 N 0.07 -1.05 0.00 3.16 3.57 -1.04 -2.10 116.94 119.56 1pg3 h PHE 38 Ca -0.05 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1pg3 h PHE 38 Cb 1.21 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1pg3 h PHE 38 CO 0.12 -0.65 -0.25 -1.49 -2.23 0.00 0.00 178.31 173.81 1pg3 h TRP 39 N -1.19 0.00 -0.51 0.41 4.06 -0.67 -0.02 115.95 118.04 1pg3 h TRP 39 Ca -0.12 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 1pg3 h TRP 39 Cb 0.88 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1pg3 h TRP 39 CO -0.01 0.25 0.16 0.78 -3.56 0.00 0.00 178.44 176.07 1pg3 h GLY 40 N 1.61 0.80 1.05 1.49 0.00 -0.76 0.73 103.07 107.99 1pg3 h GLY 40 Ca -0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 47.33 46.58 1pg3 h GLY 40 CO 0.03 0.40 -1.67 0.83 0.00 0.00 0.00 176.54 176.13 1pg3 h GLU 41 N 0.73 0.27 0.00 4.80 5.08 -0.93 -3.34 114.58 121.20 1pg3 h GLU 41 Ca 0.17 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1pg3 h GLU 41 Cb 0.21 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1pg3 h GLU 41 CO -0.01 1.14 -0.19 0.37 -1.00 0.00 0.00 179.01 179.32 1pg3 h GLN 42 N 0.07 0.00 0.00 2.33 5.75 -0.82 -2.72 115.11 119.72 1pg3 h GLN 42 Ca -0.30 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1pg3 h GLN 42 Cb 2.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.59 1pg3 h GLN 42 CO 0.15 0.19 0.00 0.41 -2.65 0.00 0.00 178.83 176.93 1pg3 n GLY 43 N -0.07 -1.14 0.00 2.39 0.00 0.23 -2.45 105.19 104.15 1pg3 n GLY 43 Ca -0.00 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1pg3 n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg3 n LYS 44 N -2.04 0.58 0.00 1.61 4.76 -1.03 -2.69 118.16 119.35 1pg3 n LYS 44 Ca 0.02 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 1pg3 n LYS 44 Cb 0.19 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.28 1pg3 n LYS 44 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1pg3 n ILE 45 N -1.06 0.67 -4.47 -0.18 3.06 -1.03 -4.70 119.36 111.65 1pg3 n ILE 45 Ca 0.15 0.17 -0.24 0.00 -2.50 0.00 0.00 62.75 60.33 1pg3 n ILE 45 Cb 0.09 -0.86 -0.10 0.00 0.54 0.00 0.00 39.64 39.31 1pg3 n ILE 45 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1pg3 s LEU 46 N -2.84 2.60 -0.11 9.51 1.43 -1.10 -4.99 118.68 123.18 1pg3 s LEU 46 Ca 0.12 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1pg3 s LEU 46 Cb 0.12 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1pg3 s LEU 46 CO 0.31 -0.01 0.50 -1.81 0.23 0.00 0.00 176.35 175.57 1pg3 s ASP 47 N -3.50 6.72 -0.13 2.29 -0.00 -1.26 -5.06 116.67 115.72 1pg3 s ASP 47 Ca 0.30 0.86 -0.01 0.00 -0.00 0.00 0.00 52.55 53.69 1pg3 s ASP 47 Cb -0.04 -2.30 -0.02 0.00 -0.00 0.00 0.00 42.92 40.56 1pg3 s ASP 47 CO 0.14 -0.01 -0.09 0.26 -0.00 0.00 0.00 175.17 175.47 1pg3 s TRP 48 N 0.63 2.90 0.17 4.23 0.52 -1.26 -4.60 118.94 121.53 1pg3 s TRP 48 Ca 0.27 -0.45 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1pg3 s TRP 48 Cb -0.15 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1pg3 s TRP 48 CO 0.11 -0.09 1.58 0.82 0.02 0.00 0.00 176.95 179.39 1pg3 h ILE 49 N 5.20 1.27 -3.52 2.03 2.04 -1.44 -3.41 117.51 119.68 1pg3 h ILE 49 Ca -0.30 -1.30 -0.44 0.00 1.00 0.00 0.00 64.86 63.83 1pg3 h ILE 49 Cb 1.20 1.00 -0.33 0.00 -0.74 0.00 0.00 36.82 37.95 1pg3 h ILE 49 CO 0.58 0.46 -0.78 0.42 0.00 0.00 0.00 178.15 178.83 1pg3 s THR 50 N -4.80 0.72 0.85 -0.27 -4.23 -1.15 -4.98 115.64 101.78 1pg3 s THR 50 Ca -0.11 -0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.03 1pg3 s THR 50 Cb 0.13 -0.70 0.11 0.00 1.34 0.00 0.00 72.50 73.38 1pg3 s THR 50 CO 0.87 0.26 1.11 -2.16 -0.54 0.00 0.00 174.62 174.15 1pg3 s PRO 51 N 0.69 1.57 0.51 3.99 0.04 -1.26 -2.11 135.00 138.42 1pg3 s PRO 51 Ca -0.11 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.29 1pg3 s PRO 51 Cb -0.14 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1pg3 s PRO 51 CO 0.01 -2.16 0.65 1.52 0.04 0.00 0.00 177.00 177.07 1pg3 s TYR 52 N -2.79 2.01 0.21 0.56 -0.85 -1.26 -4.28 117.35 110.95 1pg3 s TYR 52 Ca 0.64 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1pg3 s TYR 52 Cb -0.20 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 39.90 1pg3 s TYR 52 CO 0.57 -0.77 0.00 1.04 -1.52 0.00 0.00 175.55 174.87 1pg3 n GLN 53 N -2.02 0.00 -2.59 -3.49 1.13 -1.26 -4.94 117.38 104.21 1pg3 n GLN 53 Ca 0.11 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.75 1pg3 n GLN 53 Cb 0.61 -0.19 -0.03 0.00 0.11 0.00 0.00 30.24 30.74 1pg3 n GLN 53 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1pg3 s LYS 54 N -1.95 4.43 0.00 -1.09 0.00 -1.26 -4.98 119.74 114.90 1pg3 s LYS 54 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 55.97 57.50 1pg3 s LYS 54 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 37.83 34.33 1pg3 s LYS 54 CO 0.00 -0.29 0.00 0.28 0.00 0.00 0.00 175.35 175.34 1pg3 n VAL 55 N 4.35 0.00 -3.28 1.79 0.31 -1.26 -3.42 118.33 116.83 1pg3 n VAL 55 Ca 0.09 0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 64.17 1pg3 n VAL 55 Cb 0.48 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 32.45 1pg3 n VAL 55 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pg3 s LYS 56 N -0.28 4.26 -0.45 5.55 2.20 -1.26 -1.29 119.74 128.47 1pg3 s LYS 56 Ca 0.00 0.43 0.06 0.00 -0.36 0.00 0.00 55.97 56.10 1pg3 s LYS 56 Cb 0.00 -3.50 0.21 0.00 -1.51 0.00 0.00 37.83 33.03 1pg3 s LYS 56 CO 0.00 -0.01 0.59 -1.71 -0.36 0.00 0.00 175.35 173.86 1pg3 n ASN 57 N 4.27 -1.46 -4.31 1.43 5.15 -0.46 -5.03 115.26 114.84 1pg3 n ASN 57 Ca -0.06 -2.77 -0.17 0.00 -0.60 0.00 0.00 54.58 50.98 1pg3 n ASN 57 Cb 0.51 0.42 -0.10 0.00 -0.53 0.00 0.00 39.78 40.08 1pg3 n ASN 57 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1pg3 s THR 58 N 0.03 1.34 -0.20 -0.44 -4.23 -1.26 -1.54 115.64 109.33 1pg3 s THR 58 Ca 0.33 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.59 1pg3 s THR 58 Cb 0.11 -2.08 0.06 0.00 1.34 0.00 0.00 72.50 71.93 1pg3 s THR 58 CO -0.15 -0.56 0.52 -0.55 -0.54 0.00 0.00 174.62 173.33 1pg3 s SER 59 N -3.27 -0.62 -0.08 3.99 0.15 0.90 -4.99 113.70 109.79 1pg3 s SER 59 Ca 0.22 1.09 0.15 0.00 0.70 0.00 0.00 55.95 58.11 1pg3 s SER 59 Cb 0.03 1.02 0.49 0.00 -1.71 0.00 0.00 66.02 65.85 1pg3 s SER 59 CO 0.05 -0.20 1.41 0.49 1.20 0.00 0.00 173.24 176.19 1pg3 n PHE 60 N 3.71 0.88 -1.65 3.44 0.99 -1.26 -1.86 117.46 121.70 1pg3 n PHE 60 Ca -0.19 -0.64 -0.45 0.00 -0.00 0.00 0.00 57.45 56.17 1pg3 n PHE 60 Cb 0.56 -0.16 -0.03 0.00 -1.00 0.00 0.00 39.48 38.86 1pg3 n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pg3 n ALA 61 N 0.42 0.68 -1.54 4.37 0.00 -1.25 -3.59 120.51 119.59 1pg3 n ALA 61 Ca 0.18 0.41 -0.61 0.00 0.00 0.00 0.00 53.44 53.43 1pg3 n ALA 61 Cb 0.69 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 1pg3 n ALA 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pg3 n PRO 62 N 1.71 0.00 -0.99 0.00 -0.02 -1.26 -0.81 135.00 133.63 1pg3 n PRO 62 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1pg3 n PRO 62 Cb 0.31 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1pg3 n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg3 n GLY 63 N 2.00 0.61 2.37 -1.23 0.00 -1.26 -4.77 105.19 102.91 1pg3 n GLY 63 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 1pg3 n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pg3 n ASN 64 N 0.06 -0.47 -4.69 1.61 3.02 0.01 -5.09 115.26 109.72 1pg3 n ASN 64 Ca -0.06 -3.11 -0.39 0.00 -0.03 0.00 0.00 54.58 50.99 1pg3 n ASN 64 Cb 0.36 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 1pg3 n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pg3 s VAL 65 N -1.15 5.09 -0.03 2.41 1.01 -1.22 -3.95 120.40 122.55 1pg3 s VAL 65 Ca 0.34 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 1pg3 s VAL 65 Cb 0.28 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1pg3 s VAL 65 CO -0.10 0.20 0.05 -0.55 0.00 0.00 0.00 175.10 174.70 1pg3 s SER 66 N 0.97 0.80 -0.19 3.32 0.15 -0.78 -5.00 113.70 112.97 1pg3 s SER 66 Ca 0.28 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1pg3 s SER 66 Cb -0.16 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1pg3 s SER 66 CO 0.11 -0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 173.64 1pg3 s ILE 67 N 1.81 1.44 -0.03 6.45 1.01 -1.26 -0.07 121.20 130.55 1pg3 s ILE 67 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1pg3 s ILE 67 Cb -0.12 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1pg3 s ILE 67 CO -0.03 0.11 -0.05 -0.54 0.00 0.00 0.00 174.94 174.43 1pg3 s LYS 68 N 1.48 0.70 -0.03 2.79 1.02 -0.59 -4.92 119.74 120.19 1pg3 s LYS 68 Ca -0.01 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.84 1pg3 s LYS 68 Cb -0.16 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1pg3 s LYS 68 CO -0.08 0.01 -0.07 -1.58 -0.92 0.00 0.00 175.35 172.71 1pg3 s TRP 69 N 0.48 0.82 -1.17 3.18 0.52 -1.26 -1.36 118.94 120.16 1pg3 s TRP 69 Ca -0.06 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1pg3 s TRP 69 Cb -0.10 -0.62 0.00 0.00 -1.15 0.00 0.00 33.47 31.60 1pg3 s TRP 69 CO 0.00 -0.11 0.00 0.66 0.02 0.00 0.00 176.95 177.52 1pg3 n TYR 70 N 3.44 -0.68 -0.42 -1.98 4.02 -0.41 -4.46 117.16 116.67 1pg3 n TYR 70 Ca -0.19 0.00 0.36 0.00 -0.01 0.00 0.00 57.90 58.06 1pg3 n TYR 70 Cb 0.54 -2.44 0.61 0.00 -0.02 0.00 0.00 39.34 38.03 1pg3 n TYR 70 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1pg3 n GLU 71 N -2.00 -0.04 -0.04 -0.72 0.28 -1.26 0.18 120.64 117.05 1pg3 n GLU 71 Ca -0.12 1.17 0.12 0.00 -0.16 0.00 0.00 57.16 58.18 1pg3 n GLU 71 Cb 0.43 -2.28 0.47 0.00 1.43 0.00 0.00 31.44 31.49 1pg3 n GLU 71 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pg3 n ASP 72 N -4.63 1.49 -4.94 -1.84 5.75 -1.26 -4.36 116.55 106.76 1pg3 n ASP 72 Ca 0.37 -1.58 -0.26 0.00 -0.01 0.00 0.00 54.79 53.31 1pg3 n ASP 72 Cb 1.41 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 41.43 1pg3 n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1pg3 s GLY 73 N -1.79 1.63 0.16 6.12 0.00 0.13 -4.62 107.32 108.95 1pg3 s GLY 73 Ca 0.35 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 44.24 1pg3 s GLY 73 CO 0.30 -0.87 -0.14 -0.51 0.00 0.00 0.00 173.10 171.88 1pg3 s THR 74 N -1.96 1.51 0.04 0.90 -4.23 -0.90 -1.30 115.64 109.70 1pg3 s THR 74 Ca 0.38 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1pg3 s THR 74 Cb -0.10 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 72.00 1pg3 s THR 74 CO 0.30 -0.49 0.54 0.00 -0.54 0.00 0.00 174.62 174.43 1pg3 n LEU 75 N 0.14 0.00 -3.67 4.79 -0.00 0.14 -1.03 117.00 117.37 1pg3 n LEU 75 Ca -0.12 -0.47 -0.17 0.00 -0.00 0.00 0.00 56.01 55.25 1pg3 n LEU 75 Cb 0.58 1.13 -0.16 0.00 -0.00 0.00 0.00 43.42 44.97 1pg3 n LEU 75 CO 0.30 -0.16 -0.26 0.21 -0.00 0.00 0.00 177.39 177.49 1pg3 s ASN 76 N -2.24 0.78 0.32 1.45 2.47 -1.26 0.39 114.94 116.84 1pg3 s ASN 76 Ca 0.12 0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.70 1pg3 s ASN 76 Cb -0.01 0.18 0.54 0.00 -1.45 0.00 0.00 41.25 40.51 1pg3 s ASN 76 CO 0.01 -0.24 1.90 0.25 -3.72 0.00 0.00 177.10 175.30 1pg3 h LEU 77 N 8.31 0.67 -0.79 3.21 6.46 -1.94 -2.42 115.31 128.81 1pg3 h LEU 77 Ca -0.15 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.42 1pg3 h LEU 77 Cb 1.12 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1pg3 h LEU 77 CO 0.16 0.62 -0.24 0.00 -0.62 0.00 0.00 178.44 178.36 1pg3 h ALA 78 N 1.48 0.97 -0.44 1.25 0.00 -1.83 -1.63 119.26 119.06 1pg3 h ALA 78 Ca 0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1pg3 h ALA 78 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1pg3 h ALA 78 CO -0.01 0.60 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 1pg3 h ALA 79 N 1.17 1.02 0.00 0.00 0.00 -1.87 0.30 119.26 119.88 1pg3 h ALA 79 Ca 0.08 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1pg3 h ALA 79 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pg3 h ALA 79 CO 0.06 0.59 -0.55 -0.91 0.00 0.00 0.00 179.25 178.44 1pg3 h ASN 80 N 0.71 0.00 0.31 0.00 2.35 -1.18 -1.49 115.58 116.28 1pg3 h ASN 80 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1pg3 h ASN 80 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1pg3 h ASN 80 CO 0.03 0.55 -1.04 0.00 -1.65 0.00 0.00 177.43 175.32 1pg3 n LEU 82 N -1.84 0.00 -0.23 0.00 4.77 0.10 -4.63 117.00 115.18 1pg3 n LEU 82 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1pg3 n LEU 82 Cb 0.41 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1pg3 n LEU 82 CO 0.41 -0.33 0.68 0.44 -1.33 0.00 0.00 177.39 177.26 1pg3 h ASP 83 N 0.00 -0.88 0.20 -1.43 3.45 -1.57 -1.24 116.42 114.96 1pg3 h ASP 83 Ca 0.00 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1pg3 h ASP 83 Cb 0.00 0.50 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1pg3 h ASP 83 CO 0.00 -0.26 0.00 -2.11 -1.57 0.00 0.00 179.24 175.30 1pg3 n ARG 84 N -5.46 0.13 -0.01 3.56 1.85 -0.58 -2.19 116.66 113.97 1pg3 n ARG 84 Ca 0.07 0.20 0.10 0.00 -1.00 0.00 0.00 57.85 57.23 1pg3 n ARG 84 Cb 0.36 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.13 1pg3 n ARG 84 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1pg3 n HIS 85 N -1.30 0.00 0.01 2.89 8.25 -0.47 -4.62 115.22 119.98 1pg3 n HIS 85 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1pg3 n HIS 85 Cb 0.08 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 1pg3 n HIS 85 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pg3 h LEU 86 N 0.00 -0.06 -0.75 2.41 3.38 -1.41 0.33 115.31 119.20 1pg3 h LEU 86 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1pg3 h LEU 86 Cb 0.75 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 1pg3 h LEU 86 CO 0.00 -0.02 0.38 -0.61 0.09 0.00 0.00 178.44 178.28 1pg3 h GLN 87 N 0.01 0.61 0.00 1.13 4.15 -1.82 -1.38 115.11 117.82 1pg3 h GLN 87 Ca 0.04 -0.04 -0.37 0.00 0.77 0.00 0.00 58.65 59.06 1pg3 h GLN 87 Cb 0.06 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.54 1pg3 h GLN 87 CO -0.08 0.40 -2.39 0.39 -1.93 0.00 0.00 178.83 175.23 1pg3 n GLU 88 N -4.85 0.66 -2.14 1.69 1.02 -1.22 -4.72 120.64 111.08 1pg3 n GLU 88 Ca 0.12 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.20 1pg3 n GLU 88 Cb 0.30 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1pg3 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pg3 n ASN 89 N -3.14 4.13 -0.18 1.62 4.13 0.11 -4.82 115.26 117.12 1pg3 n ASN 89 Ca -0.42 -3.39 -0.03 0.00 1.68 0.00 0.00 54.58 52.42 1pg3 n ASN 89 Cb 0.99 -0.37 0.16 0.00 -1.54 0.00 0.00 39.78 39.02 1pg3 n ASN 89 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1pg3 h GLY 90 N 2.22 1.02 2.00 7.41 0.00 -1.04 -2.22 103.07 112.46 1pg3 h GLY 90 Ca 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1pg3 h GLY 90 CO 0.62 0.53 0.00 -0.55 0.00 0.00 0.00 176.54 177.14 1pg3 h ASP 91 N 0.92 0.00 -4.04 0.19 3.32 -1.87 -1.92 116.42 113.02 1pg3 h ASP 91 Ca 0.21 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.72 1pg3 h ASP 91 Cb 0.25 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.92 1pg3 h ASP 91 CO -0.01 0.00 0.58 -0.60 -1.72 0.00 0.00 179.24 177.49 1pg3 s ARG 92 N -3.17 3.26 -0.07 3.56 3.52 -0.84 -4.77 118.95 120.45 1pg3 s ARG 92 Ca 0.09 2.14 -0.30 0.00 -0.13 0.00 0.00 55.73 57.53 1pg3 s ARG 92 Cb 0.11 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 1pg3 s ARG 92 CO 0.58 -1.06 1.30 0.99 -0.81 0.00 0.00 175.30 176.30 1pg3 s THR 93 N -1.35 4.08 -0.20 4.11 2.01 -1.26 -1.56 115.64 121.47 1pg3 s THR 93 Ca 0.70 1.39 -0.16 0.00 0.31 0.00 0.00 61.69 63.93 1pg3 s THR 93 Cb -0.38 -3.89 -0.20 0.00 0.01 0.00 0.00 72.50 68.04 1pg3 s THR 93 CO 0.45 -0.05 0.16 0.00 -0.69 0.00 0.00 174.62 174.49 1pg3 n ALA 94 N 5.78 0.89 -3.68 7.40 0.00 0.15 -4.11 120.51 126.95 1pg3 n ALA 94 Ca 0.13 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 1pg3 n ALA 94 Cb 0.45 -0.48 -0.17 0.00 0.00 0.00 0.00 19.45 19.25 1pg3 n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pg3 s ILE 95 N -2.44 0.72 -0.34 0.00 1.01 -0.30 -1.57 121.20 118.28 1pg3 s ILE 95 Ca -0.29 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1pg3 s ILE 95 Cb 0.07 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 1pg3 s ILE 95 CO 0.62 0.29 0.21 -0.63 0.00 0.00 0.00 174.94 175.43 1pg3 s ILE 96 N 1.22 4.89 -0.21 2.92 1.01 -0.47 -0.36 121.20 130.20 1pg3 s ILE 96 Ca -0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1pg3 s ILE 96 Cb -0.14 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1pg3 s ILE 96 CO -0.02 -0.06 0.19 0.86 0.00 0.00 0.00 174.94 175.91 1pg3 s TRP 97 N 1.64 3.37 -0.27 3.97 -0.00 0.13 -0.73 118.94 127.06 1pg3 s TRP 97 Ca 0.05 0.35 -0.00 0.00 -0.00 0.00 0.00 56.10 56.49 1pg3 s TRP 97 Cb -0.18 -2.26 0.04 0.00 -0.00 0.00 0.00 33.47 31.07 1pg3 s TRP 97 CO 0.08 0.16 -0.06 -2.00 -0.00 0.00 0.00 176.95 175.13 1pg3 s GLU 98 N 0.75 2.52 0.82 5.86 2.56 -0.59 -0.77 118.70 129.85 1pg3 s GLU 98 Ca 0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 54.97 53.77 1pg3 s GLU 98 Cb -0.13 -3.01 0.08 0.00 2.00 0.00 0.00 34.13 33.08 1pg3 s GLU 98 CO 0.02 -0.52 1.09 0.20 -0.56 0.00 0.00 175.26 175.49 1pg3 s GLY 99 N 1.23 1.65 0.53 -1.50 0.00 0.80 -0.71 107.32 109.32 1pg3 s GLY 99 Ca -0.04 0.14 0.29 0.00 0.00 0.00 0.00 44.72 45.11 1pg3 s GLY 99 CO -0.04 0.54 1.91 -1.80 0.00 0.00 0.00 173.10 173.71 1pg3 h ASP 100 N -1.27 0.03 -3.52 1.64 3.58 -1.85 -3.34 116.42 111.69 1pg3 h ASP 100 Ca -0.46 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.35 1pg3 h ASP 100 Cb 1.25 -0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.06 1pg3 h ASP 100 CO 0.53 0.01 -0.66 -0.62 -2.88 0.00 0.00 179.24 175.62 1pg3 s ASP 101 N -5.76 4.87 0.57 2.28 -1.08 -1.26 -4.82 116.67 111.47 1pg3 s ASP 101 Ca -0.05 -0.24 0.30 0.00 -0.52 0.00 0.00 52.55 52.04 1pg3 s ASP 101 Cb 0.21 -1.86 1.45 0.00 -1.46 0.00 0.00 42.92 41.27 1pg3 s ASP 101 CO 0.76 0.00 1.86 0.00 0.52 0.00 0.00 175.17 178.31 1pg3 h THR 102 N 5.52 0.42 0.00 1.71 1.03 -1.97 0.19 112.91 119.81 1pg3 h THR 102 Ca -0.38 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1pg3 h THR 102 Cb 1.17 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1pg3 h THR 102 CO 0.60 0.00 0.00 0.77 -0.01 0.00 0.00 175.52 176.88 1pg3 h SER 103 N 0.00 0.00 -3.70 0.00 4.64 -1.94 -3.40 113.55 109.14 1pg3 h SER 103 Ca 0.33 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.99 1pg3 h SER 103 Cb 1.54 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.42 1pg3 h SER 103 CO -0.00 0.00 -0.56 -1.10 -0.87 0.00 0.00 176.83 174.29 1pg3 s GLN 104 N -3.77 3.54 0.33 4.77 -1.52 0.66 -5.05 119.66 118.63 1pg3 s GLN 104 Ca -0.00 -0.58 -0.09 0.00 -1.95 0.00 0.00 55.36 52.74 1pg3 s GLN 104 Cb 0.10 -3.53 0.02 0.00 -0.22 0.00 0.00 33.01 29.37 1pg3 s GLN 104 CO 0.50 -0.31 0.57 -1.54 -0.25 0.00 0.00 175.29 174.25 1pg3 s SER 105 N 1.65 0.43 -0.25 5.90 1.04 -1.26 -0.14 113.70 121.07 1pg3 s SER 105 Ca 0.06 -1.25 -0.26 0.00 0.48 0.00 0.00 55.95 54.97 1pg3 s SER 105 Cb -0.16 0.70 0.13 0.00 0.10 0.00 0.00 66.02 66.78 1pg3 s SER 105 CO 0.07 -1.37 1.04 -0.75 0.98 0.00 0.00 173.24 173.21 1pg3 s LYS 106 N -3.08 0.51 -0.25 4.02 2.20 0.05 -4.96 119.74 118.23 1pg3 s LYS 106 Ca 0.24 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 1pg3 s LYS 106 Cb -0.02 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1pg3 s LYS 106 CO 0.15 -0.09 -0.07 -1.01 -0.36 0.00 0.00 175.35 173.96 1pg3 s HIS 107 N -0.17 3.11 -0.28 4.03 3.76 -1.26 0.20 115.29 124.68 1pg3 s HIS 107 Ca 0.02 -1.77 -0.08 0.00 -0.15 0.00 0.00 55.06 53.08 1pg3 s HIS 107 Cb -0.04 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1pg3 s HIS 107 CO -0.04 -0.78 0.11 0.42 -0.85 0.00 0.00 174.74 173.60 1pg3 s ILE 108 N 1.27 4.45 0.68 0.60 1.01 0.51 -5.00 121.20 124.72 1pg3 s ILE 108 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1pg3 s ILE 108 Cb -0.17 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1pg3 s ILE 108 CO -0.05 0.20 1.07 -0.94 0.00 0.00 0.00 174.94 175.22 1pg3 s SER 109 N 1.61 5.65 0.30 3.58 1.04 -1.26 0.34 113.70 124.96 1pg3 s SER 109 Ca 0.05 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 1pg3 s SER 109 Cb -0.16 -2.20 0.46 0.00 0.10 0.00 0.00 66.02 64.22 1pg3 s SER 109 CO 0.05 -1.23 1.94 1.88 0.98 0.00 0.00 173.24 176.86 1pg3 h TYR 110 N -0.57 1.06 -0.43 5.02 -1.99 -1.19 0.74 116.97 119.61 1pg3 h TYR 110 Ca -0.45 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.26 1pg3 h TYR 110 Cb 1.23 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1pg3 h TYR 110 CO 0.57 0.63 0.06 -0.09 -0.00 0.00 0.00 178.16 179.32 1pg3 h ARG 111 N 1.11 0.72 -0.03 4.88 2.43 -1.63 0.31 114.38 122.17 1pg3 h ARG 111 Ca 0.34 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1pg3 h ARG 111 Cb -0.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1pg3 h ARG 111 CO -0.10 0.76 0.01 0.93 -1.51 0.00 0.00 179.97 180.06 1pg3 h GLU 112 N 0.58 0.05 -0.76 0.20 5.08 -1.62 -1.14 114.58 116.97 1pg3 h GLU 112 Ca 0.13 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1pg3 h GLU 112 Cb 0.40 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1pg3 h GLU 112 CO 0.01 0.23 0.50 1.25 -1.00 0.00 0.00 179.01 180.00 1pg3 h LEU 113 N -0.14 0.85 -0.72 1.33 5.85 -0.82 -1.64 115.31 120.02 1pg3 h LEU 113 Ca 0.01 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1pg3 h LEU 113 Cb 0.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1pg3 h LEU 113 CO -0.00 0.61 0.47 -0.74 -0.34 0.00 0.00 178.44 178.44 1pg3 h HIS 114 N 1.01 0.91 -0.06 1.25 2.76 -0.78 0.60 115.15 120.83 1pg3 h HIS 114 Ca 0.28 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1pg3 h HIS 114 Cb -0.08 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.57 1pg3 h HIS 114 CO -0.02 0.58 0.03 -0.09 -1.30 0.00 0.00 177.93 177.12 1pg3 h ARG 115 N 0.98 0.08 -0.66 5.26 2.43 -0.47 0.08 114.38 122.09 1pg3 h ARG 115 Ca 0.26 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1pg3 h ARG 115 Cb -0.11 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1pg3 h ARG 115 CO -0.06 0.19 0.22 -0.44 -1.51 0.00 0.00 179.97 178.38 1pg3 h ASP 116 N -0.05 0.92 -0.59 -3.80 3.32 -1.13 0.03 116.42 115.12 1pg3 h ASP 116 Ca 0.02 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1pg3 h ASP 116 Cb 0.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1pg3 h ASP 116 CO -0.00 0.84 0.16 0.58 -1.72 0.00 0.00 179.24 179.10 1pg3 h VAL 117 N 0.96 1.24 -0.43 -1.35 2.07 -0.65 0.14 116.25 118.22 1pg3 h VAL 117 Ca 0.22 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 1pg3 h VAL 117 Cb 0.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1pg3 h VAL 117 CO -0.01 0.33 -0.14 0.00 0.02 0.00 0.00 177.57 177.78 1pg3 h ARG 119 N 0.69 0.92 -0.01 0.00 3.08 -0.64 -2.22 114.38 116.20 1pg3 h ARG 119 Ca 0.11 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 1pg3 h ARG 119 Cb 0.68 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1pg3 h ARG 119 CO 0.05 1.02 -0.61 0.35 -1.07 0.00 0.00 179.97 179.70 1pg3 h PHE 120 N 0.76 0.05 -0.26 3.04 3.57 -0.68 -1.75 116.94 121.67 1pg3 h PHE 120 Ca 0.12 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1pg3 h PHE 120 Cb 0.69 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1pg3 h PHE 120 CO 0.05 0.64 0.14 0.00 -2.23 0.00 0.00 178.31 176.92 1pg3 h ALA 121 N 1.36 0.32 -0.11 2.41 0.00 -0.75 -0.42 119.26 122.06 1pg3 h ALA 121 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pg3 h ALA 121 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pg3 h ALA 121 CO 0.08 -0.24 -0.30 -0.91 0.00 0.00 0.00 179.25 177.88 1pg3 h ASN 122 N 0.30 0.21 -0.64 0.00 2.35 -1.24 -1.86 115.58 114.71 1pg3 h ASN 122 Ca 0.10 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1pg3 h ASN 122 Cb 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1pg3 h ASN 122 CO -0.05 0.51 0.34 0.74 -1.65 0.00 0.00 177.43 177.31 1pg3 h THR 123 N 0.19 1.21 -0.15 2.81 2.02 -0.40 0.10 112.91 118.69 1pg3 h THR 123 Ca 0.03 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1pg3 h THR 123 Cb 0.63 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1pg3 h THR 123 CO 0.05 0.23 -0.00 -0.07 0.37 0.00 0.00 175.52 176.09 1pg3 h LEU 124 N 0.88 0.26 -1.59 2.58 3.38 -0.73 -1.99 115.31 118.11 1pg3 h LEU 124 Ca 0.22 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pg3 h LEU 124 Cb 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1pg3 h LEU 124 CO -0.03 0.51 0.28 -0.07 0.09 0.00 0.00 178.44 179.22 1pg3 h LEU 125 N 0.00 0.49 -0.45 1.67 3.38 -1.13 -1.26 115.31 118.01 1pg3 h LEU 125 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1pg3 h LEU 125 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1pg3 h LEU 125 CO 0.01 0.35 -0.32 0.44 0.09 0.00 0.00 178.44 179.01 1pg3 h ASP 126 N 0.57 0.00 1.10 -0.43 3.32 -0.55 -2.92 116.42 117.50 1pg3 h ASP 126 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1pg3 h ASP 126 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1pg3 h ASP 126 CO -0.03 0.32 -0.05 0.18 -1.72 0.00 0.00 179.24 177.94 1pg3 n LEU 127 N -3.28 0.27 0.00 1.55 4.77 -0.67 -4.90 117.00 114.75 1pg3 n LEU 127 Ca 0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1pg3 n LEU 127 Cb 0.58 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1pg3 n LEU 127 CO 0.37 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1pg3 n GLY 128 N 1.44 0.91 3.74 -0.72 0.00 -1.04 -5.07 105.19 104.44 1pg3 n GLY 128 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1pg3 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg3 s ILE 129 N -2.00 3.79 0.21 -0.61 -1.09 -0.57 -5.00 121.20 115.93 1pg3 s ILE 129 Ca 0.00 1.50 0.03 0.00 -2.23 0.00 0.00 60.65 59.95 1pg3 s ILE 129 Cb 0.00 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1pg3 s ILE 129 CO 0.00 0.24 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.40 1pg3 s LYS 130 N -0.17 1.24 0.12 2.79 1.02 -1.26 -4.17 119.74 119.32 1pg3 s LYS 130 Ca 0.52 -1.61 -0.35 0.00 0.02 0.00 0.00 55.97 54.54 1pg3 s LYS 130 Cb -0.30 -0.50 -0.16 0.00 -0.52 0.00 0.00 37.83 36.34 1pg3 s LYS 130 CO 0.35 -0.10 1.26 1.17 -0.92 0.00 0.00 175.35 177.11 1pg3 n LYS 131 N -0.34 1.12 0.00 1.68 4.81 -1.24 -1.42 118.16 122.78 1pg3 n LYS 131 Ca -0.06 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1pg3 n LYS 131 Cb 0.63 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1pg3 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pg3 n GLY 132 N 2.30 3.06 3.77 3.14 0.00 0.17 -4.91 105.19 112.72 1pg3 n GLY 132 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pg3 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg3 s ASP 133 N 0.74 6.14 0.00 1.61 1.01 -0.50 -4.49 116.67 121.18 1pg3 s ASP 133 Ca 0.00 2.34 -0.18 0.00 0.71 0.00 0.00 52.55 55.42 1pg3 s ASP 133 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 1pg3 s ASP 133 CO 0.00 -0.94 0.51 -0.69 0.21 0.00 0.00 175.17 174.26 1pg3 s VAL 134 N -1.52 4.93 -0.18 -1.27 1.01 -1.25 0.39 120.40 122.52 1pg3 s VAL 134 Ca 0.64 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1pg3 s VAL 134 Cb -0.30 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1pg3 s VAL 134 CO 0.36 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 175.16 1pg3 s VAL 135 N -0.62 1.53 0.08 2.92 1.01 0.12 -1.93 120.40 123.52 1pg3 s VAL 135 Ca 0.27 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1pg3 s VAL 135 Cb -0.18 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1pg3 s VAL 135 CO 0.15 0.25 0.96 0.00 0.00 0.00 0.00 175.10 176.47 1pg3 s ALA 136 N 1.46 3.23 -0.24 5.51 0.00 0.71 -0.54 121.76 131.89 1pg3 s ALA 136 Ca 0.01 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1pg3 s ALA 136 Cb -0.15 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1pg3 s ALA 136 CO -0.09 -0.07 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 1pg3 s ILE 137 N 0.23 1.83 -0.75 0.00 1.01 -0.35 -0.31 121.20 122.87 1pg3 s ILE 137 Ca 0.48 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1pg3 s ILE 137 Cb -0.23 -2.01 0.25 0.00 0.01 0.00 0.00 42.46 40.48 1pg3 s ILE 137 CO 0.29 -0.04 0.84 0.00 0.00 0.00 0.00 174.94 176.03 1pg3 n TYR 138 N 4.56 3.44 -4.30 3.97 9.36 0.53 0.11 117.16 134.83 1pg3 n TYR 138 Ca -0.13 -3.92 -0.27 0.00 3.32 0.00 0.00 57.90 56.90 1pg3 n TYR 138 Cb 0.43 -0.74 -0.10 0.00 -0.63 0.00 0.00 39.34 38.30 1pg3 n TYR 138 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1pg3 s MET 139 N -2.29 2.00 0.89 2.98 -1.94 -1.26 -4.05 119.30 115.63 1pg3 s MET 139 Ca 0.35 -1.28 -0.10 0.00 -1.71 0.00 0.00 55.69 52.95 1pg3 s MET 139 Cb 0.08 -2.13 0.19 0.00 2.01 0.00 0.00 34.83 34.98 1pg3 s MET 139 CO -0.02 0.43 1.21 -1.25 -0.01 0.00 0.00 175.02 175.38 1pg3 s PRO 140 N -2.77 0.86 -1.33 2.03 0.04 -1.26 -4.51 135.00 128.05 1pg3 s PRO 140 Ca 0.24 -0.84 -0.17 0.00 0.04 0.00 0.00 61.00 60.27 1pg3 s PRO 140 Cb -0.09 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1pg3 s PRO 140 CO 0.14 -2.15 1.90 -1.33 0.04 0.00 0.00 177.00 175.61 1pg3 n MET 141 N -3.44 2.99 -4.14 4.56 2.81 -1.26 -4.68 117.12 113.96 1pg3 n MET 141 Ca 0.17 -3.01 -0.14 0.00 -1.81 0.00 0.00 57.70 52.91 1pg3 n MET 141 Cb 0.60 -3.44 -0.11 0.00 -0.71 0.00 0.00 33.22 29.56 1pg3 n MET 141 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pg3 s VAL 142 N 4.25 0.78 0.28 2.03 -7.23 -1.26 -4.15 120.40 115.10 1pg3 s VAL 142 Ca 0.53 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1pg3 s VAL 142 Cb 0.07 -1.15 0.32 0.00 0.56 0.00 0.00 36.38 36.17 1pg3 s VAL 142 CO 0.03 -0.53 1.63 -0.65 -0.31 0.00 0.00 175.10 175.27 1pg3 h PRO 143 N 3.81 0.16 -0.97 4.82 0.11 -1.95 -0.23 132.00 137.75 1pg3 h PRO 143 Ca -0.37 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.94 1pg3 h PRO 143 Cb 1.19 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1pg3 h PRO 143 CO 0.50 0.10 0.62 0.93 -0.21 0.00 0.00 178.00 179.94 1pg3 h GLU 144 N 0.16 0.54 -0.59 1.05 3.07 -1.97 0.13 114.58 116.97 1pg3 h GLU 144 Ca 0.53 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.45 1pg3 h GLU 144 Cb 1.07 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.79 1pg3 h GLU 144 CO -0.69 0.36 0.22 0.00 -1.40 0.00 0.00 179.01 177.50 1pg3 h ALA 145 N 1.62 0.75 -0.52 3.43 0.00 -1.30 0.85 119.26 124.09 1pg3 h ALA 145 Ca 0.53 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.43 1pg3 h ALA 145 Cb 1.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1pg3 h ALA 145 CO -0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 179.25 178.79 1pg3 h ALA 146 N 1.40 0.70 -0.38 0.00 0.00 -0.88 -2.35 119.26 117.75 1pg3 h ALA 146 Ca 0.29 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pg3 h ALA 146 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1pg3 h ALA 146 CO -0.29 0.52 0.22 0.28 0.00 0.00 0.00 179.25 179.98 1pg3 h VAL 147 N 0.79 1.03 -0.99 0.00 2.07 -0.42 -1.10 116.25 117.63 1pg3 h VAL 147 Ca 0.15 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1pg3 h VAL 147 Cb 0.53 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1pg3 h VAL 147 CO 0.03 0.08 0.66 0.00 0.02 0.00 0.00 177.57 178.35 1pg3 h ALA 148 N 1.17 1.25 0.37 1.67 0.00 -0.70 -1.12 119.26 121.90 1pg3 h ALA 148 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pg3 h ALA 148 Cb 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1pg3 h ALA 148 CO -0.07 0.65 -0.18 0.52 0.00 0.00 0.00 179.25 180.16 1pg3 h MET 149 N 1.34 -0.48 -0.67 0.00 2.86 -0.92 -2.10 114.93 114.96 1pg3 h MET 149 Ca 0.36 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.07 1pg3 h MET 149 Cb -0.16 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1pg3 h MET 149 CO -0.08 -0.17 0.44 -0.07 1.06 0.00 0.00 176.91 178.10 1pg3 h LEU 150 N -0.82 0.69 -0.41 1.22 3.38 -1.19 -1.91 115.31 116.27 1pg3 h LEU 150 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1pg3 h LEU 150 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1pg3 h LEU 150 CO 0.08 0.48 0.15 0.00 0.09 0.00 0.00 178.44 179.24 1pg3 h ALA 151 N 1.61 0.54 -0.06 1.53 0.00 -1.18 0.75 119.26 122.44 1pg3 h ALA 151 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pg3 h ALA 151 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1pg3 h ALA 151 CO -0.07 0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.38 1pg3 h ALA 153 N 1.02 1.64 -0.18 0.00 0.00 -1.19 0.68 119.26 121.23 1pg3 h ALA 153 Ca 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1pg3 h ALA 153 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pg3 h ALA 153 CO -0.01 0.27 -0.06 -0.09 0.00 0.00 0.00 179.25 179.37 1pg3 h ARG 154 N 0.26 0.28 -0.39 0.00 2.43 -0.24 -2.82 114.38 113.89 1pg3 h ARG 154 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1pg3 h ARG 154 Cb 0.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1pg3 h ARG 154 CO 0.01 0.35 0.00 0.44 -1.51 0.00 0.00 179.97 179.26 1pg3 n ILE 155 N -4.32 0.72 -1.04 1.20 -5.35 -0.93 -4.17 119.36 105.46 1pg3 n ILE 155 Ca -0.00 -0.86 -0.01 0.00 -0.27 0.00 0.00 62.75 61.60 1pg3 n ILE 155 Cb 0.22 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 38.86 1pg3 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pg3 n GLY 156 N 1.03 0.51 3.76 3.28 0.00 -0.78 -3.59 105.19 109.40 1pg3 n GLY 156 Ca 0.16 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1pg3 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg3 s ALA 157 N -1.98 3.36 -0.24 4.61 0.00 0.16 -0.66 121.76 127.02 1pg3 s ALA 157 Ca 0.00 0.55 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 1pg3 s ALA 157 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1pg3 s ALA 157 CO 0.00 0.22 0.81 0.08 0.00 0.00 0.00 175.76 176.87 1pg3 s VAL 158 N -1.11 4.85 -0.07 0.00 1.01 0.16 -3.96 120.40 121.28 1pg3 s VAL 158 Ca 0.40 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1pg3 s VAL 158 Cb -0.25 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1pg3 s VAL 158 CO 0.30 -0.06 0.28 -1.38 0.00 0.00 0.00 175.10 174.25 1pg3 s HIS 159 N 2.77 3.64 -0.55 5.22 -3.43 -1.07 0.13 115.29 122.00 1pg3 s HIS 159 Ca 0.34 0.75 0.03 0.00 -0.80 0.00 0.00 55.06 55.38 1pg3 s HIS 159 Cb -0.15 -2.16 0.14 0.00 -1.43 0.00 0.00 32.58 28.98 1pg3 s HIS 159 CO 0.08 0.62 0.30 0.45 -2.00 0.00 0.00 174.74 174.19 1pg3 s SER 160 N -0.83 4.47 0.14 7.38 0.15 0.30 -1.32 113.70 123.99 1pg3 s SER 160 Ca 0.19 -3.08 -0.30 0.00 0.70 0.00 0.00 55.95 53.46 1pg3 s SER 160 Cb -0.14 -1.67 -0.07 0.00 -1.71 0.00 0.00 66.02 62.43 1pg3 s SER 160 CO 0.08 -0.23 1.19 -0.69 1.20 0.00 0.00 173.24 174.79 1pg3 s VAL 161 N -0.38 3.77 -0.22 4.45 1.01 -1.25 -1.20 120.40 126.58 1pg3 s VAL 161 Ca 0.18 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1pg3 s VAL 161 Cb -0.24 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1pg3 s VAL 161 CO -0.02 0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.50 1pg3 s ILE 162 N 0.36 2.29 0.27 2.22 1.01 0.29 -4.73 121.20 122.92 1pg3 s ILE 162 Ca 0.55 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1pg3 s ILE 162 Cb -0.31 -2.14 -0.14 0.00 0.01 0.00 0.00 42.46 39.88 1pg3 s ILE 162 CO 0.33 0.28 1.01 0.33 0.00 0.00 0.00 174.94 176.89 1pg3 n PHE 163 N 4.57 1.20 0.28 3.97 7.35 -1.26 -4.28 117.46 129.28 1pg3 n PHE 163 Ca -0.18 0.71 0.14 0.00 -0.76 0.00 0.00 57.45 57.36 1pg3 n PHE 163 Cb 0.47 -2.24 0.66 0.00 0.35 0.00 0.00 39.48 38.71 1pg3 n PHE 163 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1pg3 h GLY 164 N 2.12 0.00 1.14 7.13 0.00 -1.93 -2.63 103.07 108.90 1pg3 h GLY 164 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1pg3 h GLY 164 CO 0.62 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 177.76 1pg3 n GLY 165 N -0.70 -1.06 3.73 4.60 0.00 -1.26 -4.83 105.19 105.67 1pg3 n GLY 165 Ca -0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1pg3 n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pg3 s PHE 166 N -2.18 3.61 0.89 1.61 0.40 -0.99 -4.10 117.98 117.22 1pg3 s PHE 166 Ca 0.42 1.61 -0.12 0.00 -0.60 0.00 0.00 56.93 58.23 1pg3 s PHE 166 Cb 0.21 -3.25 0.12 0.00 0.51 0.00 0.00 43.02 40.62 1pg3 s PHE 166 CO 0.40 -0.53 1.10 -1.54 0.70 0.00 0.00 175.22 175.35 1pg3 s SER 167 N -0.00 3.61 0.28 1.36 1.04 -0.91 -4.72 113.70 114.36 1pg3 s SER 167 Ca 0.50 1.29 0.01 0.00 0.48 0.00 0.00 55.95 58.23 1pg3 s SER 167 Cb -0.28 -1.97 0.54 0.00 0.10 0.00 0.00 66.02 64.41 1pg3 s SER 167 CO 0.34 -2.53 1.84 -0.65 0.98 0.00 0.00 173.24 173.22 1pg3 h PRO 168 N -1.47 0.99 -0.65 4.02 0.11 -1.81 0.10 132.00 133.28 1pg3 h PRO 168 Ca -0.50 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 1pg3 h PRO 168 Cb 1.30 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1pg3 h PRO 168 CO 0.58 0.65 0.29 1.49 -0.21 0.00 0.00 178.00 180.80 1pg3 h GLU 169 N 1.02 0.95 -0.32 1.05 4.57 -1.82 0.75 114.58 120.77 1pg3 h GLU 169 Ca 0.49 -0.16 -0.16 0.00 -1.18 0.00 0.00 59.36 58.36 1pg3 h GLU 169 Cb 0.46 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1pg3 h GLU 169 CO -0.26 0.78 -0.42 0.00 -1.18 0.00 0.00 179.01 177.93 1pg3 h ALA 170 N 1.13 0.65 -0.84 2.92 0.00 -1.31 -1.76 119.26 120.04 1pg3 h ALA 170 Ca 0.22 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1pg3 h ALA 170 Cb 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1pg3 h ALA 170 CO -0.02 0.67 0.39 0.28 0.00 0.00 0.00 179.25 180.57 1pg3 h VAL 171 N 0.66 1.26 -0.40 0.00 2.07 -0.46 -2.37 116.25 117.01 1pg3 h VAL 171 Ca 0.05 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1pg3 h VAL 171 Cb 0.99 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1pg3 h VAL 171 CO 0.09 0.32 0.03 0.00 0.02 0.00 0.00 177.57 178.03 1pg3 h ALA 172 N 1.23 0.54 -0.90 1.67 0.00 -0.68 -2.11 119.26 119.01 1pg3 h ALA 172 Ca 0.29 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1pg3 h ALA 172 Cb 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1pg3 h ALA 172 CO -0.03 0.29 0.58 0.78 0.00 0.00 0.00 179.25 180.87 1pg3 h GLY 173 N 0.53 1.31 0.56 0.00 0.00 -1.03 -0.25 103.07 104.19 1pg3 h GLY 173 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1pg3 h GLY 173 CO 0.02 0.26 -0.01 0.00 0.00 0.00 0.00 176.54 176.81 1pg3 h ILE 175 N -0.42 1.16 -0.31 0.00 2.04 -1.05 -1.84 117.51 117.10 1pg3 h ILE 175 Ca 0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1pg3 h ILE 175 Cb 0.47 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1pg3 h ILE 175 CO 0.00 0.16 0.15 0.40 0.00 0.00 0.00 178.15 178.86 1pg3 h ILE 176 N 0.86 0.99 -0.39 -0.67 2.04 -1.09 0.26 117.51 119.51 1pg3 h ILE 176 Ca 0.24 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1pg3 h ILE 176 Cb -0.10 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1pg3 h ILE 176 CO -0.05 0.06 -0.05 -0.78 0.00 0.00 0.00 178.15 177.32 1pg3 h ASP 177 N 0.32 0.63 0.18 1.72 1.82 -1.21 -3.11 116.42 116.78 1pg3 h ASP 177 Ca 0.13 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1pg3 h ASP 177 Cb 0.04 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.88 1pg3 h ASP 177 CO -0.09 0.74 -0.71 -1.54 -1.61 0.00 0.00 179.24 176.03 1pg3 n SER 178 N -4.21 0.97 -3.66 2.28 3.41 -0.71 -4.95 113.62 106.75 1pg3 n SER 178 Ca 0.02 -0.81 -0.23 0.00 -0.26 0.00 0.00 58.87 57.58 1pg3 n SER 178 Cb 0.31 0.62 0.06 0.00 -0.26 0.00 0.00 64.21 64.94 1pg3 n SER 178 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pg3 n SER 179 N -1.24 -4.00 -4.69 4.04 7.64 0.89 -4.72 113.62 111.54 1pg3 n SER 179 Ca 0.06 -0.67 -0.43 0.00 1.01 0.00 0.00 58.87 58.83 1pg3 n SER 179 Cb 0.35 -4.58 -0.01 0.00 -1.01 0.00 0.00 64.21 58.96 1pg3 n SER 179 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pg3 n SER 180 N -3.01 2.76 -0.68 6.43 7.64 -1.11 -4.68 113.62 120.97 1pg3 n SER 180 Ca -0.11 1.18 0.10 0.00 1.01 0.00 0.00 58.87 61.05 1pg3 n SER 180 Cb 0.60 -1.46 0.06 0.00 -1.01 0.00 0.00 64.21 62.40 1pg3 n SER 180 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pg3 n ARG 181 N 1.12 1.66 -3.61 1.43 1.74 -0.81 -2.62 116.66 115.56 1pg3 n ARG 181 Ca 0.07 -1.45 -0.15 0.00 -0.77 0.00 0.00 57.85 55.54 1pg3 n ARG 181 Cb 0.34 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 1pg3 n ARG 181 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pg3 s LEU 182 N -1.77 -0.40 -0.08 0.55 2.96 -1.26 -1.84 118.68 116.83 1pg3 s LEU 182 Ca 0.21 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1pg3 s LEU 182 Cb 0.16 2.24 0.00 0.00 0.50 0.00 0.00 46.19 49.09 1pg3 s LEU 182 CO 0.30 -0.40 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.04 1pg3 s VAL 183 N -0.43 1.72 -0.26 1.68 1.01 -0.87 -0.21 120.40 123.05 1pg3 s VAL 183 Ca -0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1pg3 s VAL 183 Cb -0.03 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1pg3 s VAL 183 CO 0.05 0.49 -0.05 -0.63 0.00 0.00 0.00 175.10 174.95 1pg3 s ILE 184 N 0.35 2.88 0.24 2.22 1.01 0.58 -0.89 121.20 127.58 1pg3 s ILE 184 Ca -0.15 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.44 1pg3 s ILE 184 Cb -0.16 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1pg3 s ILE 184 CO 0.06 0.15 0.25 1.07 0.00 0.00 0.00 174.94 176.47 1pg3 n THR 185 N 4.66 0.00 -4.36 2.92 5.66 -0.66 -0.35 114.28 122.15 1pg3 n THR 185 Ca -0.16 -1.55 -0.20 0.00 -3.05 0.00 0.00 64.05 59.09 1pg3 n THR 185 Cb 0.46 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 1pg3 n THR 185 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg3 s ALA 186 N -2.76 2.10 0.14 1.79 0.00 -1.26 -0.92 121.76 120.85 1pg3 s ALA 186 Ca 0.25 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1pg3 s ALA 186 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1pg3 s ALA 186 CO 0.18 0.13 1.69 0.38 0.00 0.00 0.00 175.76 178.14 1pg3 h ASP 187 N 2.68 -0.26 -5.07 0.00 3.04 -1.56 -2.30 116.42 112.95 1pg3 h ASP 187 Ca -0.39 0.08 -0.07 0.00 -3.24 0.00 0.00 57.03 53.40 1pg3 h ASP 187 Cb 1.22 0.16 -0.15 0.00 -1.04 0.00 0.00 39.33 39.52 1pg3 h ASP 187 CO 0.59 -0.10 -0.15 -1.61 -2.04 0.00 0.00 179.24 175.94 1pg3 s GLU 188 N -6.20 0.94 0.20 4.15 2.02 -1.26 -2.64 118.70 115.91 1pg3 s GLU 188 Ca -0.14 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.33 1pg3 s GLU 188 Cb 0.11 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.72 1pg3 s GLU 188 CO 0.69 -0.33 0.23 0.20 0.02 0.00 0.00 175.26 176.07 1pg3 s GLY 189 N -2.37 1.51 -0.19 -1.39 0.00 0.58 -4.40 107.32 101.06 1pg3 s GLY 189 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1pg3 s GLY 189 CO -0.07 -1.26 -0.16 0.14 0.00 0.00 0.00 173.10 171.75 1pg3 s VAL 190 N -1.91 2.30 -0.18 1.40 1.01 -1.26 -0.00 120.40 121.75 1pg3 s VAL 190 Ca 0.33 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1pg3 s VAL 190 Cb -0.09 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.36 1pg3 s VAL 190 CO 0.26 0.47 0.29 -0.60 0.00 0.00 0.00 175.10 175.52 1pg3 s ARG 191 N 1.31 0.22 -1.01 2.72 3.52 -0.26 -4.51 118.95 120.92 1pg3 s ARG 191 Ca 0.04 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1pg3 s ARG 191 Cb -0.14 -0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 32.79 1pg3 s ARG 191 CO -0.11 -0.47 0.86 0.00 -0.81 0.00 0.00 175.30 174.77 1pg3 n ALA 192 N 5.35 -1.89 -0.98 6.12 0.00 -1.26 -2.41 120.51 125.45 1pg3 n ALA 192 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pg3 n ALA 192 Cb 0.50 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1pg3 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg3 n GLY 193 N -1.15 0.00 3.29 0.00 0.00 -1.26 -4.94 105.19 101.12 1pg3 n GLY 193 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1pg3 n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg3 s ARG 194 N -1.96 2.41 0.03 1.61 0.52 -1.01 -5.12 118.95 115.44 1pg3 s ARG 194 Ca 0.00 -0.91 -0.20 0.00 -0.52 0.00 0.00 55.73 54.10 1pg3 s ARG 194 Cb 0.00 -2.13 -0.06 0.00 0.52 0.00 0.00 34.95 33.28 1pg3 s ARG 194 CO 0.00 0.44 0.59 -1.12 0.02 0.00 0.00 175.30 175.23 1pg3 s SER 195 N -0.32 7.02 -0.14 0.23 0.01 -1.26 -1.10 113.70 118.14 1pg3 s SER 195 Ca 0.01 1.21 0.02 0.00 1.31 0.00 0.00 55.95 58.51 1pg3 s SER 195 Cb -0.12 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1pg3 s SER 195 CO 0.02 0.18 -0.22 -0.63 0.41 0.00 0.00 173.24 173.01 1pg3 s ILE 196 N -0.61 2.12 0.36 1.44 1.01 1.00 -4.93 121.20 121.58 1pg3 s ILE 196 Ca 0.30 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 1pg3 s ILE 196 Cb -0.19 -1.84 -0.11 0.00 0.01 0.00 0.00 42.46 40.33 1pg3 s ILE 196 CO 0.18 0.55 1.47 -2.16 0.00 0.00 0.00 174.94 174.98 1pg3 s PRO 197 N 0.75 4.15 0.00 2.79 0.04 -1.26 -0.30 135.00 141.17 1pg3 s PRO 197 Ca -0.08 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1pg3 s PRO 197 Cb -0.16 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1pg3 s PRO 197 CO -0.00 -0.49 0.00 1.28 0.04 0.00 0.00 177.00 177.83 1pg3 n LEU 198 N 0.73 0.00 -0.05 -3.56 4.77 -1.12 -4.73 117.00 113.04 1pg3 n LEU 198 Ca 0.02 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1pg3 n LEU 198 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1pg3 n LEU 198 CO 0.63 -0.36 0.93 0.50 -1.33 0.00 0.00 177.39 177.75 1pg3 h LYS 199 N 0.00 0.28 -0.94 3.23 1.63 -1.16 -1.80 116.57 117.81 1pg3 h LYS 199 Ca 0.00 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 1pg3 h LYS 199 Cb 0.28 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.79 1pg3 h LYS 199 CO 0.00 0.24 0.59 -0.22 -3.45 0.00 0.00 179.45 176.61 1pg3 h LYS 200 N 0.25 1.02 -0.67 1.90 3.64 -1.88 0.88 116.57 121.70 1pg3 h LYS 200 Ca 0.07 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1pg3 h LYS 200 Cb 0.03 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1pg3 h LYS 200 CO -0.01 0.67 0.16 -0.91 -2.27 0.00 0.00 179.45 177.09 1pg3 h ASN 201 N 1.05 1.01 -0.45 4.20 2.35 -1.77 -0.55 115.58 121.42 1pg3 h ASN 201 Ca 0.42 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1pg3 h ASN 201 Cb 0.25 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1pg3 h ASN 201 CO -0.20 0.97 0.17 0.58 -1.65 0.00 0.00 177.43 177.31 1pg3 h VAL 202 N 1.01 1.21 -0.31 2.81 2.07 -0.26 0.70 116.25 123.49 1pg3 h VAL 202 Ca 0.21 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1pg3 h VAL 202 Cb 0.36 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1pg3 h VAL 202 CO 0.00 0.24 0.14 0.44 0.02 0.00 0.00 177.57 178.41 1pg3 h ASP 203 N 0.58 0.20 0.13 0.57 3.32 -0.49 -0.48 116.42 120.25 1pg3 h ASP 203 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1pg3 h ASP 203 Cb 0.20 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1pg3 h ASP 203 CO -0.01 0.15 -0.17 0.44 -1.72 0.00 0.00 179.24 177.93 1pg3 h ASP 204 N 0.30 0.07 -0.18 6.45 3.45 -0.76 -2.70 116.42 123.04 1pg3 h ASP 204 Ca 0.13 -0.01 -0.19 0.00 0.43 0.00 0.00 57.03 57.39 1pg3 h ASP 204 Cb 0.06 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1pg3 h ASP 204 CO -0.10 0.25 -0.63 0.00 -1.57 0.00 0.00 179.24 177.19 1pg3 h ALA 205 N 1.76 0.32 0.00 3.45 0.00 0.10 -3.13 119.26 121.76 1pg3 h ALA 205 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pg3 h ALA 205 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pg3 h ALA 205 CO 0.02 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1pg3 n LEU 206 N -4.05 0.00 0.07 0.00 4.77 -0.28 -2.23 117.00 115.27 1pg3 n LEU 206 Ca -0.07 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1pg3 n LEU 206 Cb 0.67 -0.35 0.48 0.00 -2.33 0.00 0.00 43.42 41.88 1pg3 n LEU 206 CO 0.50 -0.11 0.89 0.29 -1.33 0.00 0.00 177.39 177.64 1pg3 n LYS 207 N -1.35 0.14 -1.88 3.23 5.02 -1.09 -4.73 118.16 117.51 1pg3 n LYS 207 Ca 0.08 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1pg3 n LYS 207 Cb 0.19 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1pg3 n LYS 207 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1pg3 s ASN 208 N -3.86 6.58 0.60 4.39 3.84 -0.95 -4.85 114.94 120.70 1pg3 s ASN 208 Ca 0.10 2.41 0.29 0.00 0.21 0.00 0.00 52.86 55.88 1pg3 s ASN 208 Cb 0.14 -2.53 1.61 0.00 -0.55 0.00 0.00 41.25 39.91 1pg3 s ASN 208 CO 0.52 -0.98 1.89 1.55 -2.79 0.00 0.00 177.10 177.29 1pg3 h PRO 209 N 9.95 0.00 0.00 0.43 0.13 -1.90 -0.29 132.00 140.32 1pg3 h PRO 209 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pg3 h PRO 209 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pg3 h PRO 209 CO 0.95 0.00 -0.26 -0.91 -0.23 0.00 0.00 178.00 177.55 1pg3 h ASN 210 N 0.00 0.00 -3.57 1.44 2.35 -1.94 -3.43 115.58 110.43 1pg3 h ASN 210 Ca 0.00 -0.04 -0.59 0.00 -0.55 0.00 0.00 56.30 55.12 1pg3 h ASN 210 Cb 0.51 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 1pg3 h ASN 210 CO 0.00 0.02 0.64 -0.69 -1.65 0.00 0.00 177.43 175.75 1pg3 s VAL 211 N -3.19 4.50 0.00 2.81 1.01 -0.12 -4.80 120.40 120.61 1pg3 s VAL 211 Ca 0.07 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1pg3 s VAL 211 Cb 0.09 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1pg3 s VAL 211 CO 0.67 -0.69 0.21 0.35 0.00 0.00 0.00 175.10 175.64 1pg3 n THR 212 N 6.23 0.04 0.04 3.92 -2.24 -1.26 -4.85 114.28 116.15 1pg3 n THR 212 Ca 0.07 -0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1pg3 n THR 212 Cb 0.48 1.60 -0.09 0.00 -2.10 0.00 0.00 70.33 70.22 1pg3 n THR 212 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pg3 n SER 213 N -0.02 0.43 -4.65 3.42 3.41 -1.26 -4.91 113.62 110.03 1pg3 n SER 213 Ca 0.00 0.17 -0.43 0.00 -0.26 0.00 0.00 58.87 58.35 1pg3 n SER 213 Cb 0.21 1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1pg3 n SER 213 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pg3 s VAL 214 N -3.36 3.78 -0.09 -3.33 1.01 -1.08 -4.11 120.40 113.23 1pg3 s VAL 214 Ca -0.05 0.93 0.17 0.00 0.00 0.00 0.00 61.98 63.03 1pg3 s VAL 214 Cb 0.11 -3.66 -0.25 0.00 0.00 0.00 0.00 36.38 32.58 1pg3 s VAL 214 CO 0.85 -0.15 0.24 -0.62 0.00 0.00 0.00 175.10 175.42 1pg3 n GLU 215 N 7.17 0.87 -3.71 2.72 1.02 -0.77 -4.97 120.64 122.97 1pg3 n GLU 215 Ca 0.17 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1pg3 n GLU 215 Cb 0.44 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1pg3 n GLU 215 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pg3 s HIS 216 N -2.87 -0.19 -0.21 -0.32 3.76 -1.24 -4.69 115.29 109.53 1pg3 s HIS 216 Ca -0.07 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1pg3 s HIS 216 Cb 0.09 0.15 0.06 0.00 1.11 0.00 0.00 32.58 33.99 1pg3 s HIS 216 CO 0.73 -0.51 0.00 0.08 -0.85 0.00 0.00 174.74 174.19 1pg3 s VAL 217 N -2.30 0.91 -0.15 -0.90 1.01 -0.52 -2.05 120.40 116.39 1pg3 s VAL 217 Ca -0.07 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 1pg3 s VAL 217 Cb -0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1pg3 s VAL 217 CO -0.01 -0.18 0.78 -0.63 0.00 0.00 0.00 175.10 175.06 1pg3 s ILE 218 N 1.68 4.93 -0.14 2.22 1.01 -0.07 -0.55 121.20 130.27 1pg3 s ILE 218 Ca -0.03 1.54 -0.00 0.00 0.00 0.00 0.00 60.65 62.16 1pg3 s ILE 218 Cb -0.18 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1pg3 s ILE 218 CO -0.08 0.08 -0.13 -0.69 0.00 0.00 0.00 174.94 174.13 1pg3 s VAL 219 N 1.85 2.98 -0.18 2.92 1.01 0.29 -1.66 120.40 127.61 1pg3 s VAL 219 Ca 0.37 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1pg3 s VAL 219 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1pg3 s VAL 219 CO 0.13 0.51 0.40 -0.22 0.00 0.00 0.00 175.10 175.93 1pg3 s LEU 220 N 0.56 4.20 -0.72 3.92 2.96 -0.09 -0.03 118.68 129.48 1pg3 s LEU 220 Ca -0.08 0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 54.16 1pg3 s LEU 220 Cb -0.16 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.05 1pg3 s LEU 220 CO 0.03 -0.03 1.18 -0.75 -1.32 0.00 0.00 176.35 175.47 1pg3 s LYS 221 N 1.01 3.17 -0.20 1.98 2.20 -1.26 -1.34 119.74 125.30 1pg3 s LYS 221 Ca 0.20 -0.46 0.09 0.00 -0.36 0.00 0.00 55.97 55.44 1pg3 s LYS 221 Cb -0.14 -4.22 -0.22 0.00 -1.51 0.00 0.00 37.83 31.73 1pg3 s LYS 221 CO 0.08 -2.04 0.05 -2.13 -0.36 0.00 0.00 175.35 170.94 1pg3 n ARG 222 N 8.82 0.68 -0.00 4.03 3.00 -1.26 -4.70 116.66 127.23 1pg3 n ARG 222 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1pg3 n ARG 222 Cb 0.48 -1.57 -0.01 0.00 0.00 0.00 0.00 32.46 31.37 1pg3 n ARG 222 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pg3 n THR 223 N -3.05 0.00 -1.04 5.15 -2.24 -1.26 -5.02 114.28 106.83 1pg3 n THR 223 Ca -0.36 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 1pg3 n THR 223 Cb 1.07 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1pg3 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg3 n GLY 224 N 2.48 0.50 3.75 3.38 0.00 -1.26 -5.02 105.19 109.03 1pg3 n GLY 224 Ca -0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1pg3 n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg3 s SER 225 N -2.56 4.48 -0.31 1.61 0.01 -1.26 -4.93 113.70 110.74 1pg3 s SER 225 Ca 0.00 2.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.97 1pg3 s SER 225 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1pg3 s SER 225 CO 0.00 -2.05 1.61 -1.81 0.41 0.00 0.00 173.24 171.39 1pg3 s ASP 226 N -2.84 6.22 0.26 2.44 1.01 -1.26 -4.99 116.67 117.52 1pg3 s ASP 226 Ca 0.66 1.29 0.11 0.00 0.71 0.00 0.00 52.55 55.32 1pg3 s ASP 226 Cb -0.21 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1pg3 s ASP 226 CO 0.50 -1.45 -0.19 0.27 0.21 0.00 0.00 175.17 174.51 1pg3 s ILE 227 N 5.78 2.37 0.36 0.77 -4.36 -1.26 -5.10 121.20 119.75 1pg3 s ILE 227 Ca 0.71 -2.36 -0.19 0.00 -0.26 0.00 0.00 60.65 58.55 1pg3 s ILE 227 Cb -0.21 -2.25 -0.10 0.00 1.25 0.00 0.00 42.46 41.15 1pg3 s ILE 227 CO 0.31 -0.41 0.85 -1.81 0.24 0.00 0.00 174.94 174.12 1pg3 s ASP 228 N -3.43 6.93 -0.04 4.36 1.11 -1.26 -5.07 116.67 119.27 1pg3 s ASP 228 Ca 0.28 1.52 0.04 0.00 0.18 0.00 0.00 52.55 54.58 1pg3 s ASP 228 Cb -0.05 -2.47 -0.00 0.00 1.07 0.00 0.00 42.92 41.47 1pg3 s ASP 228 CO 0.14 -0.23 -0.17 0.86 1.18 0.00 0.00 175.17 176.95 1pg3 s TRP 229 N -1.98 1.68 -0.43 4.23 -0.11 -1.26 -5.01 118.94 116.07 1pg3 s TRP 229 Ca 0.56 -0.47 -0.09 0.00 1.22 0.00 0.00 56.10 57.32 1pg3 s TRP 229 Cb -0.11 -1.13 0.09 0.00 -1.50 0.00 0.00 33.47 30.81 1pg3 s TRP 229 CO 0.17 -0.16 0.27 -1.14 -4.62 0.00 0.00 176.95 171.47 1pg3 s GLN 230 N 0.02 2.55 0.21 5.86 2.00 -1.26 -5.05 119.66 123.99 1pg3 s GLN 230 Ca -0.03 -1.53 -0.30 0.00 -2.00 0.00 0.00 55.36 51.50 1pg3 s GLN 230 Cb -0.11 -3.79 -0.16 0.00 0.80 0.00 0.00 33.01 29.75 1pg3 s GLN 230 CO 0.02 -1.00 0.86 -0.85 -0.50 0.00 0.00 175.29 173.81 1pg3 n GLU 231 N 4.90 0.70 0.00 1.67 0.28 -1.26 -1.50 120.64 125.43 1pg3 n GLU 231 Ca -0.09 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1pg3 n GLU 231 Cb 0.42 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.79 1pg3 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pg3 n GLY 232 N 1.69 1.28 0.07 -1.84 0.00 -1.26 -4.64 105.19 100.49 1pg3 n GLY 232 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1pg3 n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pg3 h ARG 233 N 0.00 0.00 -6.66 1.61 2.43 -1.65 -3.46 114.38 106.64 1pg3 h ARG 233 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1pg3 h ARG 233 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1pg3 h ARG 233 CO 0.00 0.76 0.36 -0.51 -1.51 0.00 0.00 179.97 179.07 1pg3 s ASP 234 N -6.08 7.57 -0.01 -3.80 1.01 -0.56 -1.44 116.67 113.36 1pg3 s ASP 234 Ca -0.15 1.88 0.00 0.00 0.71 0.00 0.00 52.55 55.00 1pg3 s ASP 234 Cb -0.02 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1pg3 s ASP 234 CO 0.52 0.04 -0.01 -0.76 0.21 0.00 0.00 175.17 175.18 1pg3 s LEU 235 N -0.60 1.75 0.25 1.23 1.43 0.28 -4.89 118.68 118.13 1pg3 s LEU 235 Ca 0.44 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1pg3 s LEU 235 Cb -0.25 -0.09 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 1pg3 s LEU 235 CO 0.31 -0.02 1.13 0.26 0.23 0.00 0.00 176.35 178.26 1pg3 s TRP 236 N 0.28 3.52 0.10 0.29 0.52 -1.26 0.10 118.94 122.49 1pg3 s TRP 236 Ca -0.02 1.62 -0.25 0.00 0.02 0.00 0.00 56.10 57.46 1pg3 s TRP 236 Cb -0.04 -3.33 -0.13 0.00 -1.15 0.00 0.00 33.47 28.82 1pg3 s TRP 236 CO -0.01 -0.75 1.69 2.35 0.02 0.00 0.00 176.95 180.25 1pg3 h TRP 237 N 4.23 -0.30 -0.52 -1.98 2.91 -0.78 -2.91 115.95 116.60 1pg3 h TRP 237 Ca -0.46 0.00 0.08 0.00 1.13 0.00 0.00 58.89 59.64 1pg3 h TRP 237 Cb 1.21 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.91 1pg3 h TRP 237 CO 0.60 -0.18 0.15 -0.09 -1.03 0.00 0.00 178.44 177.89 1pg3 h ARG 238 N -0.26 0.30 0.00 2.65 2.43 -1.93 -2.06 114.38 115.51 1pg3 h ARG 238 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1pg3 h ARG 238 Cb 0.25 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1pg3 h ARG 238 CO -0.02 0.20 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.08 1pg3 h ASP 239 N 0.31 0.00 0.10 -3.80 3.32 -1.93 -2.74 116.42 111.68 1pg3 h ASP 239 Ca 0.26 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.06 1pg3 h ASP 239 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1pg3 h ASP 239 CO -0.29 0.11 -1.27 -0.07 -1.72 0.00 0.00 179.24 176.00 1pg3 h LEU 240 N 0.00 0.32 -0.52 1.55 3.38 -1.21 -3.37 115.31 115.46 1pg3 h LEU 240 Ca -0.00 -0.84 -0.16 0.00 0.09 0.00 0.00 57.88 56.97 1pg3 h LEU 240 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pg3 h LEU 240 CO 0.01 1.55 -0.70 -0.29 0.09 0.00 0.00 178.44 179.11 1pg3 h ILE 241 N -0.42 1.43 0.00 1.22 2.10 -1.42 -3.04 117.51 117.39 1pg3 h ILE 241 Ca -0.28 -2.22 -0.02 0.00 1.08 0.00 0.00 64.86 63.43 1pg3 h ILE 241 Cb 1.66 2.17 -0.00 0.00 -1.09 0.00 0.00 36.82 39.56 1pg3 h ILE 241 CO 0.03 0.65 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.33 1pg3 h GLU 242 N 0.15 0.00 0.00 2.19 5.08 -1.68 -2.50 114.58 117.81 1pg3 h GLU 242 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pg3 h GLU 242 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pg3 h GLU 242 CO 0.11 0.09 -0.95 0.36 -1.00 0.00 0.00 179.01 177.62 1pg3 n LYS 243 N -3.39 0.01 -2.36 2.33 2.85 -1.20 -4.96 118.16 111.44 1pg3 n LYS 243 Ca -0.01 -0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.92 1pg3 n LYS 243 Cb 0.26 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 1pg3 n LYS 243 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pg3 s ALA 244 N -3.01 2.98 0.07 0.58 0.00 -0.94 -5.03 121.76 116.40 1pg3 s ALA 244 Ca 0.08 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1pg3 s ALA 244 Cb 0.16 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1pg3 s ALA 244 CO 0.85 -0.34 0.94 0.45 0.00 0.00 0.00 175.76 177.65 1pg3 s SER 245 N -2.85 7.42 0.00 0.00 0.15 -1.26 -4.91 113.70 112.25 1pg3 s SER 245 Ca 0.61 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1pg3 s SER 245 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1pg3 s SER 245 CO 0.30 -0.10 0.92 -0.81 1.20 0.00 0.00 173.24 174.75 1pg3 n PRO 246 N 3.07 0.94 -3.76 5.44 -0.04 -1.26 -3.77 135.00 135.62 1pg3 n PRO 246 Ca 0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 1pg3 n PRO 246 Cb 0.50 -1.02 -0.13 0.00 -0.04 0.00 0.00 33.50 32.81 1pg3 n PRO 246 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pg3 s GLU 247 N -1.96 3.35 -0.21 0.54 0.41 -1.26 -4.69 118.70 114.89 1pg3 s GLU 247 Ca 0.00 -0.68 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 1pg3 s GLU 247 Cb 0.00 -3.35 0.08 0.00 -1.78 0.00 0.00 34.13 29.08 1pg3 s GLU 247 CO 0.00 -0.33 0.47 -1.58 -0.49 0.00 0.00 175.26 173.33 1pg3 s HIS 248 N 1.56 -0.82 -0.19 1.61 2.46 -1.26 -4.97 115.29 113.67 1pg3 s HIS 248 Ca 0.05 1.60 -0.19 0.00 0.47 0.00 0.00 55.06 56.98 1pg3 s HIS 248 Cb -0.16 0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 32.64 1pg3 s HIS 248 CO 0.03 -0.46 0.56 -0.65 -2.47 0.00 0.00 174.74 171.75 1pg3 s GLN 249 N 2.18 4.22 0.12 2.88 -1.52 -1.26 -5.01 119.66 121.26 1pg3 s GLN 249 Ca -0.05 0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 53.55 1pg3 s GLN 249 Cb -0.10 -3.56 -0.10 0.00 -0.22 0.00 0.00 33.01 29.04 1pg3 s GLN 249 CO -0.14 -0.16 1.70 -2.14 -0.25 0.00 0.00 175.29 174.30 1pg3 s PRO 250 N 1.64 4.18 0.30 2.91 0.02 -1.26 -4.99 135.00 137.80 1pg3 s PRO 250 Ca 0.26 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 1pg3 s PRO 250 Cb -0.16 -3.47 -0.07 0.00 0.02 0.00 0.00 34.50 30.83 1pg3 s PRO 250 CO 0.10 -0.74 0.65 -1.21 -0.33 0.00 0.00 177.00 175.46 1pg3 s GLU 251 N 2.26 3.82 0.14 5.54 0.41 -1.26 -5.04 118.70 124.56 1pg3 s GLU 251 Ca 0.75 0.37 -0.30 0.00 -0.41 0.00 0.00 54.97 55.38 1pg3 s GLU 251 Cb -0.43 -2.53 -0.07 0.00 -1.78 0.00 0.00 34.13 29.31 1pg3 s GLU 251 CO 0.33 0.18 1.18 0.00 -0.49 0.00 0.00 175.26 176.46 1pg3 s ALA 252 N -2.03 3.41 -0.05 5.21 0.00 -1.26 -4.67 121.76 122.37 1pg3 s ALA 252 Ca 0.49 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1pg3 s ALA 252 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1pg3 s ALA 252 CO 0.24 -0.37 -0.15 -1.64 0.00 0.00 0.00 175.76 173.84 1pg3 s MET 253 N 0.23 2.50 0.56 0.00 -1.94 0.16 -4.88 119.30 115.93 1pg3 s MET 253 Ca 0.55 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.64 1pg3 s MET 253 Cb -0.31 -2.37 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1pg3 s MET 253 CO 0.33 0.62 1.10 -0.80 -0.01 0.00 0.00 175.02 176.26 1pg3 s ASN 254 N -0.71 5.76 0.24 3.03 -0.87 -1.26 0.25 114.94 121.37 1pg3 s ASN 254 Ca 0.11 2.05 -0.05 0.00 -1.57 0.00 0.00 52.86 53.40 1pg3 s ASN 254 Cb -0.11 -2.57 0.41 0.00 -0.02 0.00 0.00 41.25 38.97 1pg3 s ASN 254 CO 0.00 -1.19 1.73 0.00 -2.57 0.00 0.00 177.10 175.08 1pg3 h ALA 255 N 0.99 1.00 -0.34 0.60 0.00 -1.40 -0.78 119.26 119.33 1pg3 h ALA 255 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pg3 h ALA 255 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pg3 h ALA 255 CO 0.57 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 180.01 1pg3 n GLU 256 N -4.99 2.54 -2.38 0.00 -0.58 -1.26 -1.17 120.64 112.80 1pg3 n GLU 256 Ca 0.13 -1.54 -0.39 0.00 -0.42 0.00 0.00 57.16 54.94 1pg3 n GLU 256 Cb 0.38 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1pg3 n GLU 256 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pg3 s ASP 257 N -0.67 6.86 0.24 1.62 1.01 -0.30 -4.77 116.67 120.66 1pg3 s ASP 257 Ca 0.27 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.54 1pg3 s ASP 257 Cb 0.18 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1pg3 s ASP 257 CO 0.12 -0.44 1.45 -2.16 0.21 0.00 0.00 175.17 174.35 1pg3 s PRO 258 N -1.96 4.27 -0.17 8.23 0.04 -1.26 -2.10 135.00 142.04 1pg3 s PRO 258 Ca 0.52 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.68 1pg3 s PRO 258 Cb -0.31 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1pg3 s PRO 258 CO 0.39 -0.43 -0.33 -0.11 0.04 0.00 0.00 177.00 176.56 1pg3 n LEU 259 N 2.52 1.85 -4.05 -3.56 7.94 -0.36 -4.65 117.00 116.68 1pg3 n LEU 259 Ca 0.07 0.32 -0.11 0.00 -1.11 0.00 0.00 56.01 55.19 1pg3 n LEU 259 Cb 0.40 -0.73 -0.06 0.00 0.53 0.00 0.00 43.42 43.56 1pg3 n LEU 259 CO 0.60 -0.29 0.10 0.72 -1.11 0.00 0.00 177.39 177.42 1pg3 s PHE 260 N -2.81 0.68 -0.04 1.96 -0.12 -1.19 -2.59 117.98 113.88 1pg3 s PHE 260 Ca -0.27 -0.99 0.01 0.00 -0.05 0.00 0.00 56.93 55.63 1pg3 s PHE 260 Cb 0.04 -0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.45 1pg3 s PHE 260 CO 0.41 -0.98 -0.05 0.42 -0.05 0.00 0.00 175.22 174.96 1pg3 s ILE 261 N -3.76 0.58 -0.16 -4.49 1.01 -0.44 -2.55 121.20 111.40 1pg3 s ILE 261 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1pg3 s ILE 261 Cb 0.01 -0.58 0.04 0.00 0.01 0.00 0.00 42.46 41.93 1pg3 s ILE 261 CO 0.13 0.22 -0.07 -0.76 0.00 0.00 0.00 174.94 174.46 1pg3 s LEU 262 N 0.73 1.59 0.02 2.97 1.43 -0.82 -3.74 118.68 120.86 1pg3 s LEU 262 Ca -0.10 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 1pg3 s LEU 262 Cb -0.13 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 1pg3 s LEU 262 CO 0.01 -0.16 1.28 -0.31 0.23 0.00 0.00 176.35 177.40 1pg3 s TYR 263 N 1.62 3.18 -0.02 0.29 1.51 -1.26 -1.04 117.35 121.64 1pg3 s TYR 263 Ca 0.02 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.22 1pg3 s TYR 263 Cb -0.15 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.17 1pg3 s TYR 263 CO -0.08 -1.77 -0.18 0.99 -1.11 0.00 0.00 175.55 173.39 1pg3 s THR 264 N 1.74 1.46 0.23 -0.71 2.01 0.65 -4.87 115.64 116.15 1pg3 s THR 264 Ca 0.60 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1pg3 s THR 264 Cb -0.30 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1pg3 s THR 264 CO 0.27 0.41 1.22 -0.44 -0.69 0.00 0.00 174.62 175.39 1pg3 s SER 265 N -0.31 7.04 0.24 3.53 0.01 -1.26 -1.56 113.70 121.38 1pg3 s SER 265 Ca 0.04 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.67 1pg3 s SER 265 Cb -0.08 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.55 1pg3 s SER 265 CO 0.00 -0.38 0.15 0.61 0.41 0.00 0.00 173.24 174.03 1pg3 n GLY 266 N 1.82 3.08 0.22 3.44 0.00 -1.26 -4.75 105.19 107.74 1pg3 n GLY 266 Ca 0.03 -2.24 0.14 0.00 0.00 0.00 0.00 46.02 43.95 1pg3 n GLY 266 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pg3 h SER 267 N 0.34 0.00 -5.32 1.61 0.87 -1.94 -3.38 113.55 105.73 1pg3 h SER 267 Ca -0.16 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.27 1pg3 h SER 267 Cb 0.57 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.40 1pg3 h SER 267 CO 0.26 0.00 -0.43 0.42 -0.53 0.00 0.00 176.83 176.55 1pg3 s THR 268 N -3.40 0.08 0.28 2.23 -4.23 -1.26 -4.21 115.64 105.13 1pg3 s THR 268 Ca 0.05 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1pg3 s THR 268 Cb 0.08 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1pg3 s THR 268 CO 0.58 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1pg3 n GLY 269 N -0.17 -1.56 3.78 3.99 0.00 -1.26 -4.85 105.19 105.12 1pg3 n GLY 269 Ca -0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1pg3 n GLY 269 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg3 s LYS 270 N -1.99 1.49 0.37 1.61 0.00 -1.26 -4.33 119.74 115.62 1pg3 s LYS 270 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 55.97 56.18 1pg3 s LYS 270 Cb 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 37.83 35.85 1pg3 s LYS 270 CO 0.00 -2.00 1.43 -2.30 0.00 0.00 0.00 175.35 172.48 1pg3 n PRO 271 N -3.67 2.51 -4.09 1.78 -0.02 -1.26 -4.64 135.00 125.61 1pg3 n PRO 271 Ca 0.07 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.15 1pg3 n PRO 271 Cb 0.58 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 1pg3 n PRO 271 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pg3 s LYS 272 N -2.02 2.81 -0.83 -0.52 -0.14 -0.60 -4.75 119.74 113.68 1pg3 s LYS 272 Ca 0.54 -0.85 -0.22 0.00 -1.36 0.00 0.00 55.97 54.08 1pg3 s LYS 272 Cb -0.50 -2.62 0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1pg3 s LYS 272 CO 0.63 0.50 1.16 0.20 -0.76 0.00 0.00 175.35 177.09 1pg3 s GLY 273 N -2.86 1.47 0.06 -3.33 0.00 -1.26 -0.25 107.32 101.15 1pg3 s GLY 273 Ca 0.30 -2.17 -0.31 0.00 0.00 0.00 0.00 44.72 42.54 1pg3 s GLY 273 CO 0.22 2.25 1.70 0.14 0.00 0.00 0.00 173.10 177.41 1pg3 s VAL 274 N 4.02 3.01 -0.19 1.40 1.01 -0.20 -0.14 120.40 129.31 1pg3 s VAL 274 Ca 0.32 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1pg3 s VAL 274 Cb -0.08 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1pg3 s VAL 274 CO 0.00 -0.01 0.02 -0.22 0.00 0.00 0.00 175.10 174.89 1pg3 s LEU 275 N 2.87 3.48 -0.02 3.92 0.20 0.06 -1.94 118.68 127.24 1pg3 s LEU 275 Ca 0.76 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.53 1pg3 s LEU 275 Cb -0.40 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 1pg3 s LEU 275 CO 0.33 0.13 -0.11 -1.00 -0.29 0.00 0.00 176.35 175.40 1pg3 s HIS 276 N 0.64 2.78 0.00 5.38 3.76 -1.06 -1.46 115.29 125.33 1pg3 s HIS 276 Ca 0.01 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1pg3 s HIS 276 Cb -0.14 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1pg3 s HIS 276 CO 0.02 0.28 0.00 0.25 -0.85 0.00 0.00 174.74 174.44 1pg3 n THR 277 N 1.92 0.00 -0.03 1.30 -2.24 -1.26 -1.22 114.28 112.75 1pg3 n THR 277 Ca -0.17 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1pg3 n THR 277 Cb 0.52 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 1pg3 n THR 277 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1pg3 n THR 278 N -0.08 0.46 0.00 4.28 -1.04 -0.84 -4.29 114.28 112.77 1pg3 n THR 278 Ca 0.00 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1pg3 n THR 278 Cb 0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1pg3 n THR 278 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pg3 n GLY 279 N 1.59 -2.99 0.30 3.41 0.00 -0.31 -0.97 105.19 106.21 1pg3 n GLY 279 Ca -0.03 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.40 1pg3 n GLY 279 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pg3 h GLY 280 N 0.00 1.26 0.95 -0.02 0.00 -1.78 -1.16 103.07 102.32 1pg3 h GLY 280 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1pg3 h GLY 280 CO 0.00 0.13 -0.17 -1.82 0.00 0.00 0.00 176.54 174.68 1pg3 h TYR 281 N 0.79 -0.44 -0.64 5.60 3.20 -1.49 -1.18 116.97 122.80 1pg3 h TYR 281 Ca 0.39 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 1pg3 h TYR 281 Cb 0.35 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1pg3 h TYR 281 CO -0.06 -0.27 0.19 1.25 -1.64 0.00 0.00 178.16 177.63 1pg3 h LEU 282 N -0.45 0.92 0.03 2.82 5.85 -0.78 -0.75 115.31 122.95 1pg3 h LEU 282 Ca -0.04 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1pg3 h LEU 282 Cb 0.36 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1pg3 h LEU 282 CO 0.05 0.87 -0.02 0.58 -0.34 0.00 0.00 178.44 179.58 1pg3 h VAL 283 N 0.95 1.03 -0.34 1.05 2.07 -1.12 -2.01 116.25 117.88 1pg3 h VAL 283 Ca 0.21 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1pg3 h VAL 283 Cb 0.29 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1pg3 h VAL 283 CO -0.01 0.05 0.18 0.22 0.02 0.00 0.00 177.57 178.03 1pg3 h TYR 284 N -0.13 0.48 -0.68 1.57 5.03 -0.98 -0.80 116.97 121.47 1pg3 h TYR 284 Ca -0.00 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.32 1pg3 h TYR 284 Cb 0.11 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.20 1pg3 h TYR 284 CO -0.05 0.39 0.42 0.00 -1.32 0.00 0.00 178.16 177.60 1pg3 h ALA 285 N 1.04 0.88 -0.28 1.82 0.00 -1.09 -1.03 119.26 120.61 1pg3 h ALA 285 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1pg3 h ALA 285 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pg3 h ALA 285 CO -0.02 0.19 -0.46 0.00 0.00 0.00 0.00 179.25 178.96 1pg3 h ALA 286 N 1.29 0.66 -0.18 0.00 0.00 -1.16 -2.01 119.26 117.86 1pg3 h ALA 286 Ca 0.27 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1pg3 h ALA 286 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pg3 h ALA 286 CO -0.11 0.67 -0.13 1.15 0.00 0.00 0.00 179.25 180.84 1pg3 h THR 287 N 0.58 1.33 -0.12 0.00 2.02 -0.84 -2.16 112.91 113.71 1pg3 h THR 287 Ca 0.03 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1pg3 h THR 287 Cb 1.02 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1pg3 h THR 287 CO 0.10 0.37 0.03 0.71 0.37 0.00 0.00 175.52 177.10 1pg3 h THR 288 N 0.06 1.19 -0.20 3.16 1.35 -1.25 -1.85 112.91 115.37 1pg3 h THR 288 Ca 0.03 -0.57 0.06 0.00 -0.55 0.00 0.00 66.41 65.38 1pg3 h THR 288 Cb 0.64 1.34 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 1pg3 h THR 288 CO 0.03 0.17 -0.22 0.15 -0.25 0.00 0.00 175.52 175.41 1pg3 h PHE 289 N 0.01 -0.57 -0.05 4.73 3.57 -1.38 0.20 116.94 123.44 1pg3 h PHE 289 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1pg3 h PHE 289 Cb 0.23 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1pg3 h PHE 289 CO 0.00 -0.30 0.03 -0.22 -2.23 0.00 0.00 178.31 175.60 1pg3 h LYS 290 N -0.24 0.07 0.11 1.11 3.64 -1.33 -2.22 116.57 117.72 1pg3 h LYS 290 Ca 0.12 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.28 1pg3 h LYS 290 Cb 0.43 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1pg3 h LYS 290 CO -0.34 0.06 -0.93 1.88 -2.27 0.00 0.00 179.45 177.85 1pg3 h TYR 291 N 0.06 0.71 -0.14 1.91 0.99 -1.16 -0.73 116.97 118.61 1pg3 h TYR 291 Ca 0.02 -0.47 -0.12 0.00 2.00 0.00 0.00 58.73 60.16 1pg3 h TYR 291 Cb 0.01 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 1pg3 h TYR 291 CO -0.07 1.33 -0.44 0.28 -0.00 0.00 0.00 178.16 179.26 1pg3 h VAL 292 N -0.11 1.32 -0.52 -2.88 2.07 -0.70 -2.91 116.25 112.53 1pg3 h VAL 292 Ca -0.15 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1pg3 h VAL 292 Cb 1.68 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1pg3 h VAL 292 CO 0.18 0.49 0.00 0.49 0.02 0.00 0.00 177.57 178.75 1pg3 n PHE 293 N -4.00 0.68 -4.30 1.57 3.01 -0.83 -4.19 117.46 109.40 1pg3 n PHE 293 Ca -0.02 -0.34 -0.37 0.00 1.01 0.00 0.00 57.45 57.73 1pg3 n PHE 293 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.94 1pg3 n PHE 293 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pg3 n ASP 294 N 1.49 -2.48 -4.68 4.37 4.64 -0.68 -4.81 116.55 114.40 1pg3 n ASP 294 Ca 0.21 -1.09 -0.46 0.00 -1.38 0.00 0.00 54.79 52.07 1pg3 n ASP 294 Cb 0.59 -2.42 -0.04 0.00 -1.04 0.00 0.00 41.12 38.22 1pg3 n ASP 294 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1pg3 n TYR 295 N -4.31 2.33 -5.14 -0.67 9.36 -0.37 -4.90 117.16 113.45 1pg3 n TYR 295 Ca 0.04 0.15 -0.30 0.00 3.32 0.00 0.00 57.90 61.11 1pg3 n TYR 295 Cb 0.51 -2.60 -0.16 0.00 -0.63 0.00 0.00 39.34 36.45 1pg3 n TYR 295 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1pg3 s HIS 296 N 2.02 2.19 -0.37 2.98 3.76 -1.26 -4.98 115.29 119.63 1pg3 s HIS 296 Ca 0.83 -0.60 -0.44 0.00 -0.15 0.00 0.00 55.06 54.71 1pg3 s HIS 296 Cb -0.66 -1.44 -0.18 0.00 1.11 0.00 0.00 32.58 31.41 1pg3 s HIS 296 CO 0.42 -0.17 1.63 -2.30 -0.85 0.00 0.00 174.74 173.47 1pg3 n PRO 297 N 2.90 0.51 0.00 8.40 -0.02 -1.26 -0.98 135.00 144.55 1pg3 n PRO 297 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1pg3 n PRO 297 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1pg3 n PRO 297 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg3 n GLY 298 N 3.94 2.56 3.76 -1.23 0.00 -1.26 -5.08 105.19 107.88 1pg3 n GLY 298 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1pg3 n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg3 s ASP 299 N -1.19 5.64 -0.32 1.61 1.01 -0.15 -4.95 116.67 118.32 1pg3 s ASP 299 Ca 0.00 2.79 -0.13 0.00 0.71 0.00 0.00 52.55 55.92 1pg3 s ASP 299 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1pg3 s ASP 299 CO 0.00 -1.32 0.27 -0.63 0.21 0.00 0.00 175.17 173.70 1pg3 s ILE 300 N -1.28 5.25 -0.09 0.77 -1.09 -1.26 -3.92 121.20 119.59 1pg3 s ILE 300 Ca 0.66 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1pg3 s ILE 300 Cb -0.41 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1pg3 s ILE 300 CO 0.50 0.06 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.74 1pg3 s TYR 301 N 1.84 2.94 -0.18 3.97 6.14 -0.64 -0.85 117.35 130.57 1pg3 s TYR 301 Ca 0.09 -0.07 -0.05 0.00 0.64 0.00 0.00 57.07 57.68 1pg3 s TYR 301 Cb -0.17 -1.76 0.06 0.00 0.42 0.00 0.00 41.96 40.52 1pg3 s TYR 301 CO 0.11 0.24 0.09 -0.46 0.64 0.00 0.00 175.55 176.17 1pg3 s TRP 302 N -0.55 0.29 -0.26 4.97 -0.00 0.58 -0.59 118.94 123.38 1pg3 s TRP 302 Ca 0.08 -0.42 -0.10 0.00 -0.00 0.00 0.00 56.10 55.66 1pg3 s TRP 302 Cb -0.12 -0.75 -0.05 0.00 -0.00 0.00 0.00 33.47 32.56 1pg3 s TRP 302 CO 0.02 -0.55 0.16 0.00 -0.00 0.00 0.00 176.95 176.58 1pg3 n THR 304 N 4.72 0.31 -1.72 0.00 -2.24 -0.28 -4.79 114.28 110.27 1pg3 n THR 304 Ca -0.15 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1pg3 n THR 304 Cb 0.52 -0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1pg3 n THR 304 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg3 n ALA 305 N -1.66 1.66 -1.76 6.98 0.00 -1.26 -4.94 120.51 119.53 1pg3 n ALA 305 Ca 0.06 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 1pg3 n ALA 305 Cb 0.39 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.55 1pg3 n ALA 305 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pg3 s ASP 306 N -0.29 5.53 0.50 0.00 -1.08 -1.26 -4.51 116.67 115.57 1pg3 s ASP 306 Ca 0.56 2.40 0.34 0.00 -0.52 0.00 0.00 52.55 55.32 1pg3 s ASP 306 Cb -0.53 -2.60 1.65 0.00 -1.46 0.00 0.00 42.92 39.98 1pg3 s ASP 306 CO 0.62 -1.36 2.02 1.62 0.52 0.00 0.00 175.17 178.59 1pg3 h VAL 307 N 1.28 0.00 -0.01 1.11 3.04 -1.92 -2.09 116.25 117.67 1pg3 h VAL 307 Ca -0.50 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1pg3 h VAL 307 Cb 1.28 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1pg3 h VAL 307 CO 0.57 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 1pg3 n GLY 308 N -0.60 -0.92 3.60 3.17 0.00 -1.26 -4.25 105.19 104.92 1pg3 n GLY 308 Ca -0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1pg3 n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pg3 s TRP 309 N -1.99 2.55 0.48 1.61 0.23 -0.79 -4.22 118.94 116.81 1pg3 s TRP 309 Ca 0.41 -0.31 0.14 0.00 -2.03 0.00 0.00 56.10 54.30 1pg3 s TRP 309 Cb 0.19 -1.23 1.13 0.00 0.03 0.00 0.00 33.47 33.59 1pg3 s TRP 309 CO 0.32 0.60 2.10 -0.24 0.96 0.00 0.00 176.95 180.69 1pg3 h VAL 310 N 1.96 1.01 -0.74 4.03 3.04 -1.88 -0.45 116.25 123.23 1pg3 h VAL 310 Ca -0.43 -0.07 -0.05 0.00 -1.01 0.00 0.00 66.70 65.15 1pg3 h VAL 310 Cb 1.25 0.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.30 1pg3 h VAL 310 CO 0.62 0.04 0.28 0.74 -1.01 0.00 0.00 177.57 178.23 1pg3 h THR 311 N 0.20 1.26 -0.56 3.17 2.02 -1.95 -0.28 112.91 116.77 1pg3 h THR 311 Ca 0.08 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.33 1pg3 h THR 311 Cb 0.06 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1pg3 h THR 311 CO -0.01 0.33 -0.03 1.23 0.37 0.00 0.00 175.52 177.41 1pg3 h GLY 312 N 1.07 1.08 0.89 2.16 0.00 -1.12 0.41 103.07 107.56 1pg3 h GLY 312 Ca 0.24 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1pg3 h GLY 312 CO -0.02 0.75 -0.43 0.45 0.00 0.00 0.00 176.54 177.29 1pg3 h HIS 313 N 0.88 -1.13 -0.09 5.60 3.86 -0.71 -2.62 115.15 120.94 1pg3 h HIS 313 Ca 0.15 -0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.10 1pg3 h HIS 313 Cb 0.58 0.38 0.01 0.00 1.06 0.00 0.00 27.41 29.44 1pg3 h HIS 313 CO 0.04 -0.70 -0.87 0.77 0.86 0.00 0.00 177.93 178.03 1pg3 h SER 314 N -1.20 0.88 -0.05 2.45 0.02 -1.08 -2.68 113.55 111.89 1pg3 h SER 314 Ca -0.12 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1pg3 h SER 314 Cb 0.92 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1pg3 h SER 314 CO 0.19 1.42 0.00 -1.22 -1.14 0.00 0.00 176.83 176.08 1pg3 n TYR 315 N -3.89 0.17 -0.02 3.45 4.02 0.14 -1.01 117.16 120.03 1pg3 n TYR 315 Ca -0.08 -0.94 -0.03 0.00 -0.01 0.00 0.00 57.90 56.83 1pg3 n TYR 315 Cb 0.80 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.93 1pg3 n TYR 315 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1pg3 n LEU 316 N -1.20 2.49 0.00 7.72 0.00 -1.01 -4.59 117.00 120.40 1pg3 n LEU 316 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.16 1pg3 n LEU 316 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1pg3 n LEU 316 CO 0.04 0.47 0.00 0.18 0.00 0.00 0.00 177.39 178.08 1pg3 n LEU 317 N -2.71 0.00 -0.10 -1.96 4.77 -1.08 -4.73 117.00 111.19 1pg3 n LEU 317 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1pg3 n LEU 317 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1pg3 n LEU 317 CO 0.03 0.00 0.58 1.88 -1.33 0.00 0.00 177.39 178.55 1pg3 h TYR 318 N 0.00 -1.24 0.66 -1.77 0.05 -1.67 0.27 116.97 113.28 1pg3 h TYR 318 Ca 0.00 0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1pg3 h TYR 318 Cb 0.00 0.59 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1pg3 h TYR 318 CO 0.00 -0.45 -0.36 0.78 -1.05 0.00 0.00 178.16 177.08 1pg3 h GLY 319 N -0.36 -1.00 1.23 3.88 0.00 -1.28 -1.42 103.07 104.12 1pg3 h GLY 319 Ca 0.13 0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.78 1pg3 h GLY 319 CO -0.54 -0.36 0.08 -0.56 0.00 0.00 0.00 176.54 175.16 1pg3 h PRO 320 N -0.94 0.94 -0.35 4.80 0.13 -1.71 -3.00 132.00 131.87 1pg3 h PRO 320 Ca -0.09 -0.24 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 1pg3 h PRO 320 Cb 0.75 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1pg3 h PRO 320 CO 0.11 0.88 -0.24 -0.07 -0.23 0.00 0.00 178.00 178.46 1pg3 h LEU 321 N 0.89 0.70 -2.02 1.56 3.38 -0.46 -1.15 115.31 118.20 1pg3 h LEU 321 Ca 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1pg3 h LEU 321 Cb 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1pg3 h LEU 321 CO 0.01 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.41 1pg3 h ALA 322 N 1.14 1.77 -0.01 1.53 0.00 -1.13 -0.54 119.26 122.01 1pg3 h ALA 322 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pg3 h ALA 322 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pg3 h ALA 322 CO 0.06 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.13 1pg3 n GLY 324 N 1.33 0.47 3.89 0.00 0.00 -0.21 -5.03 105.19 105.64 1pg3 n GLY 324 Ca 0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1pg3 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg3 s ALA 325 N -2.10 3.28 -0.39 4.61 0.00 -0.48 -4.90 121.76 121.79 1pg3 s ALA 325 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 1pg3 s ALA 325 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.34 1pg3 s ALA 325 CO 0.00 -0.44 0.64 0.99 0.00 0.00 0.00 175.76 176.96 1pg3 s THR 326 N -2.86 4.86 -0.05 0.00 2.01 -1.25 -4.60 115.64 113.74 1pg3 s THR 326 Ca 0.51 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 1pg3 s THR 326 Cb -0.11 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1pg3 s THR 326 CO 0.46 -0.42 0.01 0.28 -0.69 0.00 0.00 174.62 174.26 1pg3 s THR 327 N 2.77 4.28 -0.21 -0.82 -1.32 -0.61 -1.62 115.64 118.11 1pg3 s THR 327 Ca 0.24 -0.37 -0.08 0.00 -1.21 0.00 0.00 61.69 60.27 1pg3 s THR 327 Cb -0.14 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 1pg3 s THR 327 CO 0.16 0.52 0.09 -0.22 -2.21 0.00 0.00 174.62 172.96 1pg3 s LEU 328 N -1.16 3.80 -0.31 9.08 0.20 0.24 -1.37 118.68 129.17 1pg3 s LEU 328 Ca 0.16 0.02 -0.05 0.00 0.69 0.00 0.00 54.13 54.95 1pg3 s LEU 328 Cb -0.11 -1.99 0.03 0.00 -0.43 0.00 0.00 46.19 43.69 1pg3 s LEU 328 CO 0.06 0.10 0.06 -0.32 -0.29 0.00 0.00 176.35 175.95 1pg3 s MET 329 N 0.85 2.68 -0.06 1.98 -2.45 0.09 -4.26 119.30 118.13 1pg3 s MET 329 Ca 0.05 -1.12 -0.14 0.00 -1.25 0.00 0.00 55.69 53.23 1pg3 s MET 329 Cb -0.13 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.57 1pg3 s MET 329 CO 0.02 -0.58 0.36 0.12 1.05 0.00 0.00 175.02 176.00 1pg3 s PHE 330 N 1.37 3.64 0.03 4.11 5.36 -1.26 -1.54 117.98 129.68 1pg3 s PHE 330 Ca -0.02 0.85 -0.05 0.00 -0.96 0.00 0.00 56.93 56.75 1pg3 s PHE 330 Cb -0.19 -2.29 -0.29 0.00 -0.34 0.00 0.00 43.02 39.91 1pg3 s PHE 330 CO 0.01 0.52 0.96 1.49 -1.46 0.00 0.00 175.22 176.73 1pg3 h GLU 331 N 5.37 0.30 0.00 10.12 4.81 -1.08 -3.46 114.58 130.65 1pg3 h GLU 331 Ca -0.49 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.23 1pg3 h GLU 331 Cb 1.20 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1pg3 h GLU 331 CO 0.66 1.20 0.00 0.41 -0.73 0.00 0.00 179.01 180.54 1pg3 n GLY 332 N 1.64 2.71 3.60 1.92 0.00 -1.26 -4.64 105.19 109.16 1pg3 n GLY 332 Ca -0.14 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 1pg3 n GLY 332 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pg3 s VAL 333 N 4.73 3.36 -0.96 1.61 -7.23 -1.26 -4.94 120.40 115.71 1pg3 s VAL 333 Ca 0.00 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 1pg3 s VAL 333 Cb 0.00 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1pg3 s VAL 333 CO 0.00 -0.07 1.20 -0.81 -0.31 0.00 0.00 175.10 175.11 1pg3 n PRO 334 N 0.12 0.01 -0.83 4.82 -0.04 -1.26 -3.18 135.00 134.64 1pg3 n PRO 334 Ca -0.11 0.41 0.05 0.00 -0.04 0.00 0.00 63.50 63.82 1pg3 n PRO 334 Cb 0.55 -1.52 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 1pg3 n PRO 334 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1pg3 n ASN 335 N -1.54 1.52 -3.91 3.54 2.04 -1.26 -1.86 115.26 113.80 1pg3 n ASN 335 Ca 0.01 -3.41 -0.18 0.00 -0.44 0.00 0.00 54.58 50.57 1pg3 n ASN 335 Cb 0.07 -0.47 -0.15 0.00 -2.53 0.00 0.00 39.78 36.69 1pg3 n ASN 335 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 1pg3 s TRP 336 N -2.39 0.56 0.14 -2.53 -0.00 -1.19 -3.62 118.94 109.91 1pg3 s TRP 336 Ca 0.37 -0.12 0.29 0.00 -0.00 0.00 0.00 56.10 56.64 1pg3 s TRP 336 Cb 0.37 -0.47 1.17 0.00 -0.00 0.00 0.00 33.47 34.55 1pg3 s TRP 336 CO -0.10 -0.10 1.92 -1.00 -0.00 0.00 0.00 176.95 177.67 1pg3 h PRO 337 N 6.69 0.00 -5.48 5.86 0.13 -1.89 -3.45 132.00 133.86 1pg3 h PRO 337 Ca -0.35 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 1pg3 h PRO 337 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1pg3 h PRO 337 CO 0.49 0.11 -0.67 0.95 -0.23 0.00 0.00 178.00 178.65 1pg3 s THR 338 N -3.70 1.60 -0.12 1.56 -4.23 -1.24 -5.02 115.64 104.49 1pg3 s THR 338 Ca 0.01 -2.11 0.27 0.00 -1.18 0.00 0.00 61.69 58.67 1pg3 s THR 338 Cb 0.10 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.75 1pg3 s THR 338 CO 0.59 -0.28 1.81 -0.65 -0.54 0.00 0.00 174.62 175.55 1pg3 h PRO 339 N 2.27 0.00 -0.03 3.99 0.11 -1.80 -2.03 132.00 134.52 1pg3 h PRO 339 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1pg3 h PRO 339 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pg3 h PRO 339 CO 0.67 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 1pg3 n ALA 340 N -1.85 2.61 0.00 -0.75 0.00 -1.18 -4.43 120.51 114.91 1pg3 n ALA 340 Ca -0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1pg3 n ALA 340 Cb 0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 1pg3 n ALA 340 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pg3 h ARG 341 N 1.43 -0.44 -0.41 0.00 9.65 -1.42 -0.69 114.38 122.50 1pg3 h ARG 341 Ca 0.00 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 1pg3 h ARG 341 Cb 0.30 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 28.89 1pg3 h ARG 341 CO 0.00 -0.29 -0.32 1.98 2.80 0.00 0.00 179.97 184.14 1pg3 h MET 342 N -0.46 -0.23 0.00 0.20 4.05 -1.58 0.31 114.93 117.21 1pg3 h MET 342 Ca 0.08 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1pg3 h MET 342 Cb 0.60 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1pg3 h MET 342 CO -0.38 -0.16 -0.22 0.00 0.23 0.00 0.00 176.91 176.39 1pg3 h GLN 344 N 0.00 0.90 -0.40 0.00 4.20 0.48 -2.03 115.11 118.25 1pg3 h GLN 344 Ca -0.00 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1pg3 h GLN 344 Cb 0.43 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1pg3 h GLN 344 CO 0.03 1.09 0.20 0.28 -0.67 0.00 0.00 178.83 179.75 1pg3 h VAL 345 N 0.75 1.17 -0.73 -0.54 2.07 -0.33 -0.29 116.25 118.35 1pg3 h VAL 345 Ca 0.07 -0.49 0.14 0.00 0.82 0.00 0.00 66.70 67.24 1pg3 h VAL 345 Cb 0.91 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 1pg3 h VAL 345 CO 0.08 0.19 0.27 0.58 0.02 0.00 0.00 177.57 178.71 1pg3 h VAL 346 N 0.51 0.64 -0.08 2.57 2.07 -1.00 -1.16 116.25 119.80 1pg3 h VAL 346 Ca 0.14 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1pg3 h VAL 346 Cb 0.12 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1pg3 h VAL 346 CO -0.02 0.07 -0.60 0.44 0.02 0.00 0.00 177.57 177.49 1pg3 h ASP 347 N 0.40 0.66 -0.83 0.57 3.32 -1.04 0.25 116.42 119.75 1pg3 h ASP 347 Ca 0.40 -0.68 0.09 0.00 0.02 0.00 0.00 57.03 56.86 1pg3 h ASP 347 Cb 0.62 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1pg3 h ASP 347 CO -0.41 1.23 0.49 0.50 -1.72 0.00 0.00 179.24 179.33 1pg3 h LYS 348 N 0.13 0.81 -0.38 3.56 3.64 -0.47 -2.78 116.57 121.08 1pg3 h LYS 348 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1pg3 h LYS 348 Cb 1.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1pg3 h LYS 348 CO 0.12 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.56 1pg3 n HIS 349 N -4.71 0.51 -3.85 1.91 8.25 -0.49 -4.99 115.22 111.84 1pg3 n HIS 349 Ca 0.13 -0.49 -0.27 0.00 -0.26 0.00 0.00 57.72 56.83 1pg3 n HIS 349 Cb 0.25 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1pg3 n HIS 349 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pg3 n GLN 350 N 0.63 -4.99 -1.67 -0.41 1.13 -0.17 -4.88 117.38 107.01 1pg3 n GLN 350 Ca 0.13 0.58 -0.45 0.00 -1.94 0.00 0.00 57.00 55.32 1pg3 n GLN 350 Cb 0.44 -5.26 -0.03 0.00 0.11 0.00 0.00 30.24 25.50 1pg3 n GLN 350 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1pg3 n VAL 351 N -4.49 0.62 -0.04 5.09 0.31 -0.10 -4.66 118.33 115.06 1pg3 n VAL 351 Ca -0.12 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1pg3 n VAL 351 Cb 0.60 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.88 1pg3 n VAL 351 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pg3 n ASN 352 N 2.59 1.14 -3.83 4.52 5.03 -0.03 -2.95 115.26 121.74 1pg3 n ASN 352 Ca 0.13 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.31 1pg3 n ASN 352 Cb 0.31 1.33 -0.17 0.00 -1.02 0.00 0.00 39.78 40.23 1pg3 n ASN 352 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pg3 s ILE 353 N -2.78 0.82 -0.25 2.41 1.01 -0.65 -0.23 121.20 121.54 1pg3 s ILE 353 Ca -0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1pg3 s ILE 353 Cb 0.08 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1pg3 s ILE 353 CO 0.67 0.10 0.00 -0.22 0.00 0.00 0.00 174.94 175.49 1pg3 s LEU 354 N 1.76 3.25 -0.28 2.97 2.96 -0.55 -0.30 118.68 128.49 1pg3 s LEU 354 Ca 0.01 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1pg3 s LEU 354 Cb -0.15 -1.79 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1pg3 s LEU 354 CO -0.07 -0.08 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.35 1pg3 s TYR 355 N 1.48 3.26 0.00 5.38 5.04 0.49 0.12 117.35 133.11 1pg3 s TYR 355 Ca 0.04 -2.08 0.00 0.00 -2.44 0.00 0.00 57.07 52.60 1pg3 s TYR 355 Cb -0.15 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1pg3 s TYR 355 CO -0.01 -0.84 0.00 -2.37 -1.34 0.00 0.00 175.55 170.99 1pg3 n THR 356 N 4.53 0.00 -4.43 4.34 5.66 -0.56 -1.13 114.28 122.70 1pg3 n THR 356 Ca -0.14 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1pg3 n THR 356 Cb 0.43 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.09 1pg3 n THR 356 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg3 s ALA 357 N -2.00 2.57 0.28 1.79 0.00 -1.26 -1.40 121.76 121.74 1pg3 s ALA 357 Ca 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.64 1pg3 s ALA 357 Cb 0.00 -0.59 0.65 0.00 0.00 0.00 0.00 23.12 23.18 1pg3 s ALA 357 CO 0.00 0.57 1.75 -1.35 0.00 0.00 0.00 175.76 176.73 1pg3 h PRO 358 N 4.00 0.57 -0.42 0.00 0.11 -1.86 -1.92 132.00 132.47 1pg3 h PRO 358 Ca -0.49 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.65 1pg3 h PRO 358 Cb 1.16 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1pg3 h PRO 358 CO 0.45 0.38 0.08 1.15 -0.21 0.00 0.00 178.00 179.84 1pg3 h THR 359 N 0.59 0.78 -0.74 -1.15 2.02 -1.91 0.29 112.91 112.79 1pg3 h THR 359 Ca 0.53 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.58 1pg3 h THR 359 Cb 0.85 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1pg3 h THR 359 CO -0.42 0.04 0.24 0.00 0.37 0.00 0.00 175.52 175.75 1pg3 h ALA 360 N 1.32 0.97 -0.39 6.16 0.00 -1.71 0.12 119.26 125.72 1pg3 h ALA 360 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pg3 h ALA 360 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pg3 h ALA 360 CO -0.27 0.64 0.23 0.82 0.00 0.00 0.00 179.25 180.68 1pg3 h ILE 361 N 1.09 1.13 -0.27 0.00 2.04 -0.68 0.10 117.51 120.94 1pg3 h ILE 361 Ca 0.24 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 1pg3 h ILE 361 Cb 0.30 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1pg3 h ILE 361 CO -0.01 0.14 -0.38 0.03 0.00 0.00 0.00 178.15 177.92 1pg3 h ARG 362 N 0.52 0.61 -0.69 2.37 3.08 -0.26 0.30 114.38 120.31 1pg3 h ARG 362 Ca 0.14 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1pg3 h ARG 362 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1pg3 h ARG 362 CO -0.03 0.90 0.41 0.00 -1.07 0.00 0.00 179.97 180.19 1pg3 h ALA 363 N 1.07 0.88 0.06 0.04 0.00 -0.22 -1.52 119.26 119.57 1pg3 h ALA 363 Ca 0.05 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1pg3 h ALA 363 Cb 0.89 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pg3 h ALA 363 CO 0.08 0.36 -1.07 -0.07 0.00 0.00 0.00 179.25 178.55 1pg3 h LEU 364 N 0.94 0.35 -1.59 0.00 3.38 -0.64 -3.24 115.31 114.51 1pg3 h LEU 364 Ca 0.25 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1pg3 h LEU 364 Cb -0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1pg3 h LEU 364 CO -0.05 1.20 0.33 -0.03 0.09 0.00 0.00 178.44 179.99 1pg3 h MET 365 N 0.10 0.51 0.00 1.13 4.05 0.02 0.67 114.93 121.41 1pg3 h MET 365 Ca -0.09 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1pg3 h MET 365 Cb 1.77 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 1pg3 h MET 365 CO 0.17 0.34 0.00 0.00 0.23 0.00 0.00 176.91 177.65 1pg3 h ALA 366 N 1.72 1.00 -0.02 0.39 0.00 -1.31 -1.35 119.26 119.68 1pg3 h ALA 366 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pg3 h ALA 366 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pg3 h ALA 366 CO -0.05 0.00 -0.11 0.39 0.00 0.00 0.00 179.25 179.48 1pg3 n GLU 367 N -2.37 1.83 0.00 0.00 -0.58 0.22 -5.05 120.64 114.70 1pg3 n GLU 367 Ca 0.01 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 1pg3 n GLU 367 Cb 0.17 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1pg3 n GLU 367 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg3 n GLY 368 N 1.32 2.90 0.00 0.62 0.00 -0.51 -2.21 105.19 107.30 1pg3 n GLY 368 Ca 0.14 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1pg3 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pg3 n ASP 369 N 1.92 0.00 0.21 1.61 9.92 -1.26 -2.27 116.55 126.68 1pg3 n ASP 369 Ca 0.00 0.35 0.15 0.00 -0.53 0.00 0.00 54.79 54.75 1pg3 n ASP 369 Cb 0.00 -0.43 0.74 0.00 -0.64 0.00 0.00 41.12 40.79 1pg3 n ASP 369 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1pg3 h LYS 370 N 0.00 0.00 0.00 -1.24 1.57 -1.80 0.50 116.57 115.60 1pg3 h LYS 370 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pg3 h LYS 370 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1pg3 h LYS 370 CO 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.77 1pg3 n ALA 371 N -1.88 2.56 -0.57 3.86 0.00 -0.96 -3.11 120.51 120.41 1pg3 n ALA 371 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pg3 n ALA 371 Cb 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1pg3 n ALA 371 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1pg3 n ILE 372 N -1.63 0.14 -1.68 0.00 -5.35 0.01 -4.34 119.36 106.50 1pg3 n ILE 372 Ca 0.06 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1pg3 n ILE 372 Cb 0.36 1.32 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 1pg3 n ILE 372 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1pg3 s GLU 373 N -0.14 4.14 0.00 6.28 2.12 -0.27 -1.49 118.70 129.34 1pg3 s GLU 373 Ca 0.00 2.60 0.00 0.00 0.36 0.00 0.00 54.97 57.93 1pg3 s GLU 373 Cb 0.00 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.27 1pg3 s GLU 373 CO 0.00 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1pg3 n GLY 374 N 4.51 0.83 3.89 -1.50 0.00 -1.26 -4.97 105.19 106.70 1pg3 n GLY 374 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1pg3 n GLY 374 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pg3 s THR 375 N -3.24 4.99 -0.15 2.61 -4.23 -0.56 -5.05 115.64 110.01 1pg3 s THR 375 Ca 0.00 -0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.50 1pg3 s THR 375 Cb 0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1pg3 s THR 375 CO 0.00 -0.14 -0.24 -0.67 -0.54 0.00 0.00 174.62 173.03 1pg3 n ASP 376 N -0.61 1.78 0.00 3.99 2.03 -1.26 -4.99 116.55 117.50 1pg3 n ASP 376 Ca -0.08 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1pg3 n ASP 376 Cb 0.55 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1pg3 n ASP 376 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pg3 n ARG 377 N -4.46 -0.81 0.26 -0.67 1.74 -1.26 -4.89 116.66 106.57 1pg3 n ARG 377 Ca -0.10 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1pg3 n ARG 377 Cb 0.36 -3.92 0.68 0.00 -1.02 0.00 0.00 32.46 28.56 1pg3 n ARG 377 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pg3 h SER 378 N 0.00 0.00 1.18 0.55 0.02 -1.94 -2.98 113.55 110.38 1pg3 h SER 378 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1pg3 h SER 378 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1pg3 h SER 378 CO 0.00 0.13 -0.06 0.77 -1.14 0.00 0.00 176.83 176.53 1pg3 h SER 379 N 0.00 0.00 -3.33 3.07 4.64 -1.90 -3.45 113.55 112.58 1pg3 h SER 379 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1pg3 h SER 379 Cb 0.43 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.58 1pg3 h SER 379 CO 0.02 0.06 0.77 -0.76 -0.87 0.00 0.00 176.83 176.05 1pg3 s LEU 380 N -6.33 4.38 0.00 5.97 1.43 -1.13 -4.10 118.68 118.90 1pg3 s LEU 380 Ca 0.02 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1pg3 s LEU 380 Cb 0.08 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1pg3 s LEU 380 CO 0.59 -0.72 0.00 0.54 0.23 0.00 0.00 176.35 176.99 1pg3 n ARG 381 N 2.50 1.71 -4.21 1.70 1.74 0.69 -4.89 116.66 115.88 1pg3 n ARG 381 Ca 0.07 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 1pg3 n ARG 381 Cb 0.40 -0.84 -0.15 0.00 -1.02 0.00 0.00 32.46 30.85 1pg3 n ARG 381 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pg3 s ILE 382 N -1.68 0.53 0.22 0.55 -1.09 -0.77 -4.00 121.20 114.96 1pg3 s ILE 382 Ca 0.00 -0.22 0.11 0.00 -2.23 0.00 0.00 60.65 58.30 1pg3 s ILE 382 Cb 0.00 -0.49 -0.04 0.00 -1.58 0.00 0.00 42.46 40.35 1pg3 s ILE 382 CO 0.00 0.18 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.97 1pg3 s LEU 383 N 0.26 2.72 0.03 2.97 1.43 -0.60 -1.48 118.68 124.01 1pg3 s LEU 383 Ca -0.03 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1pg3 s LEU 383 Cb -0.07 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1pg3 s LEU 383 CO -0.00 0.08 0.07 -0.83 0.23 0.00 0.00 176.35 175.91 1pg3 s GLY 384 N -3.03 0.19 -0.01 -3.19 0.00 0.12 -0.69 107.32 100.71 1pg3 s GLY 384 Ca 0.25 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.43 1pg3 s GLY 384 CO 0.14 -0.68 -0.04 -0.45 0.00 0.00 0.00 173.10 172.07 1pg3 s SER 385 N -1.99 0.55 0.10 1.64 0.15 -0.33 -1.49 113.70 112.33 1pg3 s SER 385 Ca -0.07 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.31 1pg3 s SER 385 Cb -0.03 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1pg3 s SER 385 CO -0.04 0.03 0.46 0.54 1.20 0.00 0.00 173.24 175.43 1pg3 s VAL 386 N 0.08 0.05 0.00 4.45 0.11 -0.49 -1.74 120.40 122.85 1pg3 s VAL 386 Ca -0.00 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1pg3 s VAL 386 Cb -0.04 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1pg3 s VAL 386 CO -0.00 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1pg3 n GLY 387 N -0.02 3.27 3.59 6.54 0.00 -1.26 -4.29 105.19 113.01 1pg3 n GLY 387 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1pg3 n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pg3 s GLU 388 N -0.59 0.78 0.94 1.61 -1.05 -1.26 -4.79 118.70 114.34 1pg3 s GLU 388 Ca 0.00 -0.34 -0.11 0.00 -0.15 0.00 0.00 54.97 54.37 1pg3 s GLU 388 Cb 0.00 0.32 0.14 0.00 -0.44 0.00 0.00 34.13 34.15 1pg3 s GLU 388 CO 0.00 -0.35 0.99 -2.30 0.95 0.00 0.00 175.26 174.55 1pg3 n PRO 389 N -0.29 -0.57 -3.70 -4.83 -0.02 -1.26 -4.78 135.00 119.55 1pg3 n PRO 389 Ca -0.07 -0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.09 1pg3 n PRO 389 Cb 0.61 -2.26 -0.18 0.00 -0.02 0.00 0.00 33.50 31.65 1pg3 n PRO 389 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1pg3 s ILE 390 N -2.58 0.08 0.60 4.25 2.07 -1.26 -4.82 121.20 119.56 1pg3 s ILE 390 Ca 0.65 0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 59.98 1pg3 s ILE 390 Cb -0.23 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 1pg3 s ILE 390 CO 0.60 0.17 1.08 0.54 -1.91 0.00 0.00 174.94 175.42 1pg3 s ASN 391 N 2.09 5.57 0.34 4.50 2.20 -1.26 -4.06 114.94 124.31 1pg3 s ASN 391 Ca 0.05 1.93 0.09 0.00 -0.94 0.00 0.00 52.86 53.98 1pg3 s ASN 391 Cb -0.12 -2.55 0.82 0.00 -2.00 0.00 0.00 41.25 37.40 1pg3 s ASN 391 CO -0.04 -1.31 1.81 -0.65 -2.94 0.00 0.00 177.10 173.97 1pg3 h PRO 392 N 0.44 0.67 0.37 3.55 0.11 -1.97 0.21 132.00 135.38 1pg3 h PRO 392 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1pg3 h PRO 392 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1pg3 h PRO 392 CO 0.56 0.45 -0.25 1.49 -0.21 0.00 0.00 178.00 180.04 1pg3 h GLU 393 N 0.69 -0.58 -0.50 1.05 4.81 -1.98 0.14 114.58 118.22 1pg3 h GLU 393 Ca 0.53 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.73 1pg3 h GLU 393 Cb 0.90 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1pg3 h GLU 393 CO -0.29 -0.39 0.04 0.00 -0.73 0.00 0.00 179.01 177.64 1pg3 h ALA 394 N -0.02 0.67 -0.54 2.92 0.00 -1.74 -0.92 119.26 119.63 1pg3 h ALA 394 Ca -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1pg3 h ALA 394 Cb 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1pg3 h ALA 394 CO 0.03 0.45 0.25 2.35 0.00 0.00 0.00 179.25 182.32 1pg3 h TRP 395 N 0.73 0.45 -0.14 0.00 7.01 -0.46 0.55 115.95 124.08 1pg3 h TRP 395 Ca 0.15 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 1pg3 h TRP 395 Cb 0.47 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1pg3 h TRP 395 CO 0.03 0.19 -0.11 0.93 -2.79 0.00 0.00 178.44 176.69 1pg3 h GLU 396 N 0.47 0.33 -0.43 2.65 4.39 -0.85 -0.33 114.58 120.82 1pg3 h GLU 396 Ca 0.25 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1pg3 h GLU 396 Cb 0.21 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1pg3 h GLU 396 CO -0.21 0.69 0.05 2.35 -1.16 0.00 0.00 179.01 180.74 1pg3 h TRP 397 N -0.03 0.08 -0.12 4.33 7.01 -0.80 0.57 115.95 126.99 1pg3 h TRP 397 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1pg3 h TRP 397 Cb 0.61 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 1pg3 h TRP 397 CO 0.08 -0.03 0.07 -0.92 -2.79 0.00 0.00 178.44 174.85 1pg3 h TYR 398 N 0.17 0.15 -0.31 2.65 3.20 -0.85 0.32 116.97 122.31 1pg3 h TYR 398 Ca 0.21 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1pg3 h TYR 398 Cb 0.28 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1pg3 h TYR 398 CO -0.23 0.13 0.02 2.35 -1.64 0.00 0.00 178.16 178.79 1pg3 h TRP 399 N 0.12 0.48 0.00 -3.82 7.01 -0.22 -1.95 115.95 117.57 1pg3 h TRP 399 Ca 0.04 -0.04 -0.16 0.00 2.11 0.00 0.00 58.89 60.84 1pg3 h TRP 399 Cb 0.03 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1pg3 h TRP 399 CO -0.06 0.46 -0.95 -0.22 -2.79 0.00 0.00 178.44 174.88 1pg3 h LYS 400 N 0.45 0.00 -0.18 2.65 3.64 0.40 -1.33 116.57 122.21 1pg3 h LYS 400 Ca 0.10 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.29 1pg3 h LYS 400 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pg3 h LYS 400 CO 0.01 0.84 -0.68 0.87 -2.27 0.00 0.00 179.45 178.22 1pg3 h LYS 401 N -1.00 0.69 0.03 1.90 1.79 -0.46 -1.73 116.57 117.79 1pg3 h LYS 401 Ca -0.25 -0.51 -0.27 0.00 -2.18 0.00 0.00 60.65 57.45 1pg3 h LYS 401 Cb 1.12 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 1pg3 h LYS 401 CO -0.15 1.13 -1.44 -0.89 -1.08 0.00 0.00 179.45 177.02 1pg3 n ILE 402 N -3.94 1.59 1.56 1.86 2.08 -0.75 -4.39 119.36 117.37 1pg3 n ILE 402 Ca -0.05 -0.16 0.14 0.00 0.56 0.00 0.00 62.75 63.23 1pg3 n ILE 402 Cb 0.69 -1.98 0.57 0.00 -0.75 0.00 0.00 39.64 38.18 1pg3 n ILE 402 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pg3 n GLY 403 N 1.54 -0.15 2.42 7.39 0.00 -1.09 -4.92 105.19 110.37 1pg3 n GLY 403 Ca -0.33 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1pg3 n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg3 n LYS 404 N -0.02 -2.06 -1.64 1.61 5.02 -0.65 -0.79 118.16 119.63 1pg3 n LYS 404 Ca 0.19 0.71 -0.18 0.00 -2.02 0.00 0.00 58.31 57.02 1pg3 n LYS 404 Cb 0.31 -5.31 -0.07 0.00 -0.02 0.00 0.00 35.03 29.94 1pg3 n LYS 404 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pg3 n GLU 405 N -2.83 -1.26 0.00 1.97 1.02 -0.51 -4.84 120.64 114.20 1pg3 n GLU 405 Ca -0.17 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1pg3 n GLU 405 Cb 0.63 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 1pg3 n GLU 405 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pg3 n LYS 406 N -2.52 -0.72 -4.94 3.49 5.02 0.03 -5.03 118.16 113.48 1pg3 n LYS 406 Ca -0.18 -0.46 -0.33 0.00 -2.02 0.00 0.00 58.31 55.32 1pg3 n LYS 406 Cb 0.59 -0.92 -0.15 0.00 -0.02 0.00 0.00 35.03 34.52 1pg3 n LYS 406 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pg3 s PRO 408 N 0.33 4.04 -0.35 0.00 0.02 -1.26 -4.75 135.00 133.04 1pg3 s PRO 408 Ca -0.14 1.96 -0.09 0.00 0.02 0.00 0.00 61.00 62.75 1pg3 s PRO 408 Cb -0.17 -2.73 0.03 0.00 0.02 0.00 0.00 34.50 31.65 1pg3 s PRO 408 CO 0.07 -0.36 0.16 0.08 -0.33 0.00 0.00 177.00 176.61 1pg3 s VAL 409 N -1.34 4.26 -0.50 3.83 1.01 -1.26 -1.56 120.40 124.84 1pg3 s VAL 409 Ca 0.56 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1pg3 s VAL 409 Cb -0.34 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1pg3 s VAL 409 CO 0.43 -0.15 0.78 0.68 0.00 0.00 0.00 175.10 176.83 1pg3 s VAL 410 N 1.51 4.64 -0.76 2.92 -7.23 0.14 -4.93 120.40 116.69 1pg3 s VAL 410 Ca 0.01 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.07 1pg3 s VAL 410 Cb -0.19 -4.38 0.10 0.00 0.56 0.00 0.00 36.38 32.48 1pg3 s VAL 410 CO 0.05 -0.86 0.98 -0.62 -0.31 0.00 0.00 175.10 174.34 1pg3 s ASP 411 N 2.51 6.36 -0.25 4.85 2.15 -1.26 -1.19 116.67 129.84 1pg3 s ASP 411 Ca 0.25 -1.50 -0.20 0.00 0.43 0.00 0.00 52.55 51.53 1pg3 s ASP 411 Cb -0.14 -2.39 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1pg3 s ASP 411 CO 0.18 -1.23 0.63 0.42 -0.17 0.00 0.00 175.17 175.00 1pg3 s THR 412 N 3.25 4.98 -0.14 1.71 -4.23 -0.71 -4.31 115.64 116.19 1pg3 s THR 412 Ca 0.24 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.84 1pg3 s THR 412 Cb -0.13 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 1pg3 s THR 412 CO 0.02 0.03 0.04 0.86 -0.54 0.00 0.00 174.62 175.03 1pg3 s TRP 413 N 2.46 3.25 -0.03 3.99 -0.00 0.14 -4.42 118.94 124.33 1pg3 s TRP 413 Ca 0.26 0.13 -0.26 0.00 -0.00 0.00 0.00 56.10 56.23 1pg3 s TRP 413 Cb -0.15 -1.96 0.09 0.00 -0.00 0.00 0.00 33.47 31.44 1pg3 s TRP 413 CO 0.09 0.31 1.19 -2.67 -0.00 0.00 0.00 176.95 175.86 1pg3 n TRP 414 N 2.90 -0.30 -4.07 5.86 4.27 -1.26 -1.36 117.44 123.48 1pg3 n TRP 414 Ca -0.18 -0.63 -0.10 0.00 -3.89 0.00 0.00 57.50 52.71 1pg3 n TRP 414 Cb 0.53 0.28 -0.08 0.00 -1.36 0.00 0.00 31.31 30.68 1pg3 n TRP 414 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 1pg3 s GLN 415 N -2.01 1.13 0.36 -2.67 -0.21 -1.26 -4.94 119.66 110.05 1pg3 s GLN 415 Ca 0.28 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 54.42 1pg3 s GLN 415 Cb -0.01 0.32 0.88 0.00 1.00 0.00 0.00 33.01 35.21 1pg3 s GLN 415 CO -0.01 -0.39 1.82 1.15 -2.12 0.00 0.00 175.29 175.75 1pg3 h THR 416 N 2.63 0.72 0.00 -0.19 2.02 -1.98 0.89 112.91 117.01 1pg3 h THR 416 Ca -0.33 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1pg3 h THR 416 Cb 1.22 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1pg3 h THR 416 CO 0.51 0.11 0.00 -0.33 0.37 0.00 0.00 175.52 176.19 1pg3 h GLU 417 N 0.63 0.00 -0.02 6.66 3.07 -1.96 -3.03 114.58 119.93 1pg3 h GLU 417 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1pg3 h GLU 417 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1pg3 h GLU 417 CO -0.27 0.00 -0.31 0.25 -1.40 0.00 0.00 179.01 177.28 1pg3 n THR 418 N -2.46 0.00 0.00 1.13 -2.24 0.29 -1.17 114.28 109.83 1pg3 n THR 418 Ca 0.02 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1pg3 n THR 418 Cb 0.27 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1pg3 n THR 418 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg3 n GLY 419 N 1.33 0.58 3.58 3.38 0.00 -1.14 -3.80 105.19 109.11 1pg3 n GLY 419 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1pg3 n GLY 419 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pg3 s GLY 420 N 0.00 1.08 0.17 -0.02 0.00 -1.26 -4.79 107.32 102.50 1pg3 s GLY 420 Ca 0.00 -1.24 -0.32 0.00 0.00 0.00 0.00 44.72 43.16 1pg3 s GLY 420 CO 0.00 -0.78 1.07 0.69 0.00 0.00 0.00 173.10 174.08 1pg3 n PHE 421 N -0.53 1.05 0.00 1.90 0.99 -1.26 -4.66 117.46 114.95 1pg3 n PHE 421 Ca -0.02 0.74 -0.03 0.00 -0.00 0.00 0.00 57.45 58.15 1pg3 n PHE 421 Cb 0.61 -2.23 -0.01 0.00 -1.00 0.00 0.00 39.48 36.86 1pg3 n PHE 421 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1pg3 n MET 422 N 1.55 0.17 -4.03 -1.08 2.81 -0.46 -4.81 117.12 111.27 1pg3 n MET 422 Ca 0.15 0.07 -0.34 0.00 -1.81 0.00 0.00 57.70 55.77 1pg3 n MET 422 Cb 0.24 -0.77 -0.15 0.00 -0.71 0.00 0.00 33.22 31.83 1pg3 n MET 422 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1pg3 s ILE 423 N -2.22 2.56 -0.01 2.02 1.01 -0.90 0.50 121.20 124.17 1pg3 s ILE 423 Ca -0.09 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1pg3 s ILE 423 Cb 0.01 -2.20 0.09 0.00 0.01 0.00 0.00 42.46 40.38 1pg3 s ILE 423 CO 0.14 0.37 0.79 0.28 0.00 0.00 0.00 174.94 176.52 1pg3 s THR 424 N 1.32 0.00 0.43 2.92 -1.32 -0.66 -0.68 115.64 117.65 1pg3 s THR 424 Ca 0.03 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.49 1pg3 s THR 424 Cb -0.15 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1pg3 s THR 424 CO -0.08 0.00 0.68 -2.16 -2.21 0.00 0.00 174.62 170.85 1pg3 s PRO 425 N -2.43 3.36 -0.13 7.08 0.04 -1.08 -4.26 135.00 137.59 1pg3 s PRO 425 Ca -0.01 -0.17 -0.02 0.00 0.04 0.00 0.00 61.00 60.84 1pg3 s PRO 425 Cb -0.01 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1pg3 s PRO 425 CO -0.04 -0.13 -0.05 -0.51 0.04 0.00 0.00 177.00 176.32 1pg3 s LEU 426 N -4.56 3.23 0.23 -3.56 1.02 -1.26 -4.83 118.68 108.94 1pg3 s LEU 426 Ca 0.45 -0.09 -0.10 0.00 0.02 0.00 0.00 54.13 54.41 1pg3 s LEU 426 Cb -0.10 -1.75 0.34 0.00 0.02 0.00 0.00 46.19 44.69 1pg3 s LEU 426 CO 0.40 0.23 1.64 1.55 0.02 0.00 0.00 176.35 180.19 1pg3 h PRO 427 N 6.22 0.06 -0.67 1.29 0.13 -1.81 -1.90 132.00 135.32 1pg3 h PRO 427 Ca -0.37 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1pg3 h PRO 427 Cb 1.19 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1pg3 h PRO 427 CO 0.59 0.04 0.24 0.41 -0.23 0.00 0.00 178.00 179.06 1pg3 n GLY 428 N -1.42 3.94 0.00 1.56 0.00 -1.26 -4.51 105.19 103.51 1pg3 n GLY 428 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1pg3 n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg3 n ALA 429 N -0.41 1.18 -3.60 4.61 0.00 -0.95 -3.46 120.51 117.88 1pg3 n ALA 429 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1pg3 n ALA 429 Cb 1.33 0.05 -0.17 0.00 0.00 0.00 0.00 19.45 20.66 1pg3 n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pg3 s ILE 430 N -1.18 1.86 0.32 0.00 1.01 -0.76 -4.00 121.20 118.45 1pg3 s ILE 430 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1pg3 s ILE 430 Cb 0.00 -1.65 -0.10 0.00 0.01 0.00 0.00 42.46 40.72 1pg3 s ILE 430 CO 0.00 0.51 1.25 -1.61 0.00 0.00 0.00 174.94 175.09 1pg3 s GLU 431 N 0.80 4.40 0.21 2.79 2.02 -1.26 -4.69 118.70 122.96 1pg3 s GLU 431 Ca -0.09 2.10 -0.15 0.00 0.02 0.00 0.00 54.97 56.86 1pg3 s GLU 431 Cb -0.16 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 30.92 1pg3 s GLU 431 CO -0.00 -0.10 0.62 -0.51 0.02 0.00 0.00 175.26 175.28 1pg3 s LEU 432 N -1.76 4.26 -0.12 1.80 1.43 -0.68 -4.83 118.68 118.78 1pg3 s LEU 432 Ca 0.48 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1pg3 s LEU 432 Cb -0.37 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.32 1pg3 s LEU 432 CO 0.49 0.00 -0.12 -0.54 0.23 0.00 0.00 176.35 176.42 1pg3 s LYS 433 N -2.30 1.96 -0.12 1.70 1.02 -1.26 -0.26 119.74 120.49 1pg3 s LYS 433 Ca 0.43 -0.43 -0.34 0.00 0.02 0.00 0.00 55.97 55.65 1pg3 s LYS 433 Cb -0.14 -1.84 -0.11 0.00 -0.52 0.00 0.00 37.83 35.22 1pg3 s LYS 433 CO 0.20 -0.21 1.93 0.00 -0.92 0.00 0.00 175.35 176.35 1pg3 n ALA 434 N 4.70 0.96 -0.26 5.17 0.00 -1.26 -1.32 120.51 128.50 1pg3 n ALA 434 Ca -0.16 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pg3 n ALA 434 Cb 0.50 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1pg3 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg3 n GLY 435 N 4.67 0.64 3.50 0.00 0.00 -1.26 -4.66 105.19 108.08 1pg3 n GLY 435 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1pg3 n GLY 435 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pg3 s SER 436 N -2.98 4.53 0.18 1.61 0.15 -0.44 -4.75 113.70 112.00 1pg3 s SER 436 Ca 0.00 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 56.75 1pg3 s SER 436 Cb 0.00 -1.47 0.91 0.00 -1.71 0.00 0.00 66.02 63.74 1pg3 s SER 436 CO 0.00 0.25 1.73 0.00 1.20 0.00 0.00 173.24 176.42 1pg3 n ALA 437 N 2.99 1.98 -0.34 5.45 0.00 -1.12 -4.66 120.51 124.80 1pg3 n ALA 437 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pg3 n ALA 437 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1pg3 n ALA 437 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pg3 n THR 438 N -2.07 0.00 -3.73 0.00 -2.24 -1.21 -2.50 114.28 102.53 1pg3 n THR 438 Ca 0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.56 1pg3 n THR 438 Cb 0.31 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1pg3 n THR 438 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pg3 s ARG 439 N 0.00 3.50 0.69 -0.78 0.52 -1.26 -0.43 118.95 121.18 1pg3 s ARG 439 Ca 0.00 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 1pg3 s ARG 439 Cb 0.00 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.64 1pg3 s ARG 439 CO 0.00 0.40 1.18 -1.25 0.02 0.00 0.00 175.30 175.65 1pg3 s PRO 440 N -3.47 2.46 0.75 3.54 0.04 -1.26 -1.65 135.00 135.40 1pg3 s PRO 440 Ca 0.37 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1pg3 s PRO 440 Cb -0.11 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1pg3 s PRO 440 CO 0.30 -1.57 1.13 0.12 0.04 0.00 0.00 177.00 177.02 1pg3 s PHE 441 N -2.03 3.15 0.34 0.56 5.36 0.18 -4.79 117.98 120.76 1pg3 s PHE 441 Ca 0.73 0.90 -0.27 0.00 -0.96 0.00 0.00 56.93 57.33 1pg3 s PHE 441 Cb -0.27 -3.26 -0.12 0.00 -0.34 0.00 0.00 43.02 39.03 1pg3 s PHE 441 CO 0.42 -1.44 1.18 1.19 -1.46 0.00 0.00 175.22 175.11 1pg3 n PHE 442 N -3.14 1.89 -0.88 10.12 0.99 -1.26 -1.69 117.46 123.49 1pg3 n PHE 442 Ca 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 57.45 58.11 1pg3 n PHE 442 Cb 0.59 -2.35 0.00 0.00 -1.00 0.00 0.00 39.48 36.72 1pg3 n PHE 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pg3 n GLY 443 N 0.93 0.71 3.40 1.37 0.00 -1.26 -4.99 105.19 105.35 1pg3 n GLY 443 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1pg3 n GLY 443 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg3 s VAL 444 N -3.09 4.10 -0.70 1.61 1.01 -0.68 -4.46 120.40 118.18 1pg3 s VAL 444 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1pg3 s VAL 444 Cb 0.00 -2.95 0.18 0.00 0.00 0.00 0.00 36.38 33.61 1pg3 s VAL 444 CO 0.00 0.30 0.54 -1.10 0.00 0.00 0.00 175.10 174.84 1pg3 s GLN 445 N 1.57 2.81 0.78 2.72 -0.21 -1.26 -4.62 119.66 121.45 1pg3 s GLN 445 Ca 0.06 -2.72 -0.11 0.00 0.02 0.00 0.00 55.36 52.60 1pg3 s GLN 445 Cb -0.15 -3.83 0.06 0.00 1.00 0.00 0.00 33.01 30.09 1pg3 s GLN 445 CO 0.02 -1.21 1.09 -1.25 -2.12 0.00 0.00 175.29 171.83 1pg3 s PRO 446 N -0.38 2.19 -0.07 2.91 0.04 -1.26 -1.64 135.00 136.80 1pg3 s PRO 446 Ca 0.20 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1pg3 s PRO 446 Cb -0.16 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1pg3 s PRO 446 CO -0.06 -1.56 0.83 0.00 0.04 0.00 0.00 177.00 176.24 1pg3 s ALA 447 N -3.12 -1.82 -0.20 8.56 0.00 -0.12 -4.82 121.76 120.24 1pg3 s ALA 447 Ca 0.60 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.85 1pg3 s ALA 447 Cb -0.15 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1pg3 s ALA 447 CO 0.55 -0.44 -0.12 -0.51 0.00 0.00 0.00 175.76 175.24 1pg3 s LEU 448 N -1.51 2.51 0.10 0.00 1.43 -1.26 -1.29 118.68 118.66 1pg3 s LEU 448 Ca -0.04 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1pg3 s LEU 448 Cb -0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1pg3 s LEU 448 CO 0.02 -0.01 -0.26 0.68 0.23 0.00 0.00 176.35 177.01 1pg3 s VAL 449 N 1.38 2.14 0.30 -1.59 -7.23 -0.64 0.11 120.40 114.86 1pg3 s VAL 449 Ca 0.05 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1pg3 s VAL 449 Cb -0.14 -1.88 0.07 0.00 0.56 0.00 0.00 36.38 35.00 1pg3 s VAL 449 CO -0.08 0.14 0.31 -0.90 -0.31 0.00 0.00 175.10 174.25 1pg3 n ASP 450 N 1.17 -0.86 0.00 4.85 5.68 -0.26 -0.78 116.55 126.35 1pg3 n ASP 450 Ca -0.18 -0.82 0.11 0.00 -0.50 0.00 0.00 54.79 53.40 1pg3 n ASP 450 Cb 0.53 -0.26 0.53 0.00 -1.14 0.00 0.00 41.12 40.77 1pg3 n ASP 450 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pg3 n ASN 451 N -3.40 0.00 -0.05 -1.12 3.02 -1.26 -1.89 115.26 110.55 1pg3 n ASN 451 Ca 0.04 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1pg3 n ASN 451 Cb 0.15 -0.34 0.09 0.00 -0.61 0.00 0.00 39.78 39.07 1pg3 n ASN 451 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pg3 n GLU 452 N -1.34 0.14 -0.32 3.52 4.71 -1.26 -4.95 120.64 121.14 1pg3 n GLU 452 Ca 0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1pg3 n GLU 452 Cb 0.19 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1pg3 n GLU 452 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pg3 n GLY 453 N 1.48 0.75 3.71 0.62 0.00 -0.79 -5.05 105.19 105.91 1pg3 n GLY 453 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1pg3 n GLY 453 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg3 s HIS 454 N -2.30 3.57 0.42 1.61 3.76 -1.26 -4.75 115.29 116.34 1pg3 s HIS 454 Ca 0.00 1.39 -0.26 0.00 -0.15 0.00 0.00 55.06 56.05 1pg3 s HIS 454 Cb 0.00 -2.94 -0.08 0.00 1.11 0.00 0.00 32.58 30.66 1pg3 s HIS 454 CO 0.00 -0.00 1.33 -1.25 -0.85 0.00 0.00 174.74 173.96 1pg3 s PRO 455 N 1.11 3.87 -0.13 8.40 0.04 -1.26 -1.11 135.00 145.92 1pg3 s PRO 455 Ca 0.42 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.62 1pg3 s PRO 455 Cb -0.19 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1pg3 s PRO 455 CO 0.20 -0.59 0.03 -0.65 0.04 0.00 0.00 177.00 176.04 1pg3 s GLN 456 N -2.32 3.48 0.34 4.56 -1.52 0.29 -4.88 119.66 119.61 1pg3 s GLN 456 Ca 0.58 -0.36 0.08 0.00 -1.95 0.00 0.00 55.36 53.71 1pg3 s GLN 456 Cb -0.39 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 1pg3 s GLN 456 CO 0.50 0.50 0.15 -1.21 -0.25 0.00 0.00 175.29 174.98 1pg3 s GLU 457 N -0.30 2.39 2.13 2.91 0.41 -1.26 -4.53 118.70 120.45 1pg3 s GLU 457 Ca 0.08 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 1pg3 s GLU 457 Cb -0.12 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1pg3 s GLU 457 CO 0.02 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.31 1pg3 n GLY 458 N -1.16 -0.72 3.58 -1.39 0.00 -1.26 -4.48 105.19 99.76 1pg3 n GLY 458 Ca -0.03 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1pg3 n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg3 s ALA 459 N -1.52 2.71 0.00 4.61 0.00 -1.26 -4.84 121.76 121.47 1pg3 s ALA 459 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1pg3 s ALA 459 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1pg3 s ALA 459 CO 0.00 -2.98 0.00 -2.37 0.00 0.00 0.00 175.76 170.41 1pg3 n THR 460 N 7.17 0.00 -3.76 0.00 5.66 -0.83 -4.97 114.28 117.55 1pg3 n THR 460 Ca 0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.06 1pg3 n THR 460 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1pg3 n THR 460 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1pg3 s GLU 461 N -1.30 0.55 0.00 1.09 1.03 -1.26 -0.55 118.70 118.26 1pg3 s GLU 461 Ca 0.00 0.06 0.00 0.00 0.03 0.00 0.00 54.97 55.06 1pg3 s GLU 461 Cb 0.00 0.25 0.00 0.00 -0.80 0.00 0.00 34.13 33.58 1pg3 s GLU 461 CO 0.00 -0.13 0.00 0.41 -1.33 0.00 0.00 175.26 174.21 1pg3 n GLY 462 N 1.94 1.20 3.68 -3.83 0.00 0.05 -4.92 105.19 103.31 1pg3 n GLY 462 Ca -0.18 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1pg3 n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pg3 s ASN 463 N 1.97 7.21 -0.32 1.61 0.01 0.04 -1.47 114.94 124.00 1pg3 s ASN 463 Ca 0.00 1.55 -0.29 0.00 -0.71 0.00 0.00 52.86 53.41 1pg3 s ASN 463 Cb 0.00 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1pg3 s ASN 463 CO 0.00 -0.49 1.15 -0.22 -1.51 0.00 0.00 177.10 176.03 1pg3 s LEU 464 N 2.19 3.91 0.22 0.60 2.96 -0.14 -1.63 118.68 126.80 1pg3 s LEU 464 Ca 0.49 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.52 1pg3 s LEU 464 Cb -0.19 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1pg3 s LEU 464 CO 0.17 -0.96 0.00 0.68 -1.32 0.00 0.00 176.35 174.93 1pg3 s VAL 465 N 3.90 0.95 -0.18 1.68 -7.23 -0.41 -2.75 120.40 116.37 1pg3 s VAL 465 Ca 0.49 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1pg3 s VAL 465 Cb -0.14 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.51 1pg3 s VAL 465 CO 0.18 -0.33 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.88 1pg3 s ILE 466 N -3.48 1.74 -0.87 -0.62 -1.09 -0.48 -0.94 121.20 115.46 1pg3 s ILE 466 Ca 0.28 -0.86 0.22 0.00 -2.23 0.00 0.00 60.65 58.06 1pg3 s ILE 466 Cb 0.06 -1.67 0.20 0.00 -1.58 0.00 0.00 42.46 39.47 1pg3 s ILE 466 CO 0.08 0.37 1.69 0.35 -1.23 0.00 0.00 174.94 176.20 1pg3 n THR 467 N 4.69 0.63 -4.04 2.92 -2.24 -0.65 -1.65 114.28 113.94 1pg3 n THR 467 Ca -0.17 0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1pg3 n THR 467 Cb 0.49 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1pg3 n THR 467 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pg3 s ASP 468 N -3.44 0.09 0.76 3.42 -1.08 -1.26 -4.82 116.67 110.33 1pg3 s ASP 468 Ca 0.09 -1.03 -0.12 0.00 -0.52 0.00 0.00 52.55 50.98 1pg3 s ASP 468 Cb 0.13 0.42 0.05 0.00 -1.46 0.00 0.00 42.92 42.05 1pg3 s ASP 468 CO 0.41 -0.89 1.12 -0.55 0.52 0.00 0.00 175.17 175.78 1pg3 s SER 469 N -3.02 4.94 0.02 -0.34 0.15 -1.26 -4.70 113.70 109.48 1pg3 s SER 469 Ca 0.23 1.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.91 1pg3 s SER 469 Cb 0.04 -1.81 -0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1pg3 s SER 469 CO 0.03 -1.66 0.12 -1.66 1.20 0.00 0.00 173.24 171.27 1pg3 s TRP 470 N -3.35 0.11 0.29 3.44 -2.14 -1.26 -4.84 118.94 111.18 1pg3 s TRP 470 Ca 0.60 -0.29 -0.00 0.00 2.66 0.00 0.00 56.10 59.07 1pg3 s TRP 470 Cb -0.12 -0.09 0.66 0.00 -3.10 0.00 0.00 33.47 30.83 1pg3 s TRP 470 CO 0.52 -0.31 1.61 -1.35 -2.66 0.00 0.00 176.95 174.75 1pg3 h PRO 471 N 4.05 0.09 -0.25 3.25 0.11 -1.91 -2.18 132.00 135.16 1pg3 h PRO 471 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1pg3 h PRO 471 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pg3 h PRO 471 CO 0.44 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 1pg3 n GLY 472 N -1.44 0.00 3.75 -0.55 0.00 -1.21 -3.18 105.19 102.56 1pg3 n GLY 472 Ca 0.20 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1pg3 n GLY 472 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pg3 s GLN 473 N -1.74 4.46 0.28 1.61 0.74 -0.82 -2.87 119.66 121.32 1pg3 s GLN 473 Ca 0.11 1.98 -0.30 0.00 0.05 0.00 0.00 55.36 57.20 1pg3 s GLN 473 Cb 0.06 -3.19 -0.12 0.00 1.10 0.00 0.00 33.01 30.86 1pg3 s GLN 473 CO 0.07 -0.10 1.54 0.00 -0.55 0.00 0.00 175.29 176.26 1pg3 n ALA 474 N 1.99 2.15 0.10 1.58 0.00 -0.32 -4.83 120.51 121.18 1pg3 n ALA 474 Ca 0.03 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 1pg3 n ALA 474 Cb 0.44 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1pg3 n ALA 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pg3 h ARG 475 N 4.64 0.00 0.00 0.00 2.47 -1.60 -3.49 114.38 116.40 1pg3 h ARG 475 Ca -0.46 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.42 1pg3 h ARG 475 Cb 1.24 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.53 1pg3 h ARG 475 CO 0.78 0.60 0.43 -2.37 0.56 0.00 0.00 179.97 179.97 1pg3 n THR 476 N -3.20 0.00 -3.91 2.04 5.66 -1.22 -4.78 114.28 108.86 1pg3 n THR 476 Ca -0.01 -0.07 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 1pg3 n THR 476 Cb 0.82 0.27 -0.14 0.00 -1.55 0.00 0.00 70.33 69.73 1pg3 n THR 476 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1pg3 s LEU 477 N 0.00 3.09 -0.36 1.09 1.43 -1.26 -0.76 118.68 121.90 1pg3 s LEU 477 Ca 0.14 -0.60 -0.44 0.00 -1.03 0.00 0.00 54.13 52.21 1pg3 s LEU 477 Cb -0.00 -1.72 -0.19 0.00 0.03 0.00 0.00 46.19 44.31 1pg3 s LEU 477 CO -0.00 -0.08 1.59 0.33 0.23 0.00 0.00 176.35 178.42 1pg3 n PHE 478 N 4.76 1.74 -0.90 0.29 7.35 0.80 -0.39 117.46 131.11 1pg3 n PHE 478 Ca -0.17 0.93 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 1pg3 n PHE 478 Cb 0.49 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.03 1pg3 n PHE 478 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pg3 n GLY 479 N 3.77 0.39 2.56 7.13 0.00 -1.26 -4.70 105.19 113.07 1pg3 n GLY 479 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1pg3 n GLY 479 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pg3 n ASP 480 N -0.26 -1.87 -0.12 1.61 -0.08 0.47 -4.97 116.55 111.33 1pg3 n ASP 480 Ca 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 54.79 50.19 1pg3 n ASP 480 Cb 0.13 0.94 0.15 0.00 2.34 0.00 0.00 41.12 44.68 1pg3 n ASP 480 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1pg3 h HIS 481 N 4.15 0.88 -0.69 -0.67 -0.00 -1.90 -2.73 115.15 114.18 1pg3 h HIS 481 Ca -0.04 -0.12 0.08 0.00 -0.00 0.00 0.00 60.37 60.29 1pg3 h HIS 481 Cb 0.98 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 28.09 1pg3 h HIS 481 CO 0.14 0.80 0.35 0.93 -0.00 0.00 0.00 177.93 180.15 1pg3 h GLU 482 N 0.77 0.60 -0.40 5.26 3.07 -1.93 0.41 114.58 122.35 1pg3 h GLU 482 Ca 0.15 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1pg3 h GLU 482 Cb 0.45 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1pg3 h GLU 482 CO 0.02 0.39 -0.03 -0.09 -1.40 0.00 0.00 179.01 177.91 1pg3 h ARG 483 N 0.61 0.66 0.11 2.33 2.43 -1.89 -1.73 114.38 116.89 1pg3 h ARG 483 Ca 0.33 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1pg3 h ARG 483 Cb 0.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1pg3 h ARG 483 CO -0.25 0.70 -0.28 0.35 -1.51 0.00 0.00 179.97 178.99 1pg3 h PHE 484 N 0.62 -0.74 -0.68 2.20 3.57 -0.67 0.16 116.94 121.40 1pg3 h PHE 484 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1pg3 h PHE 484 Cb 0.43 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1pg3 h PHE 484 CO 0.02 -0.38 0.42 0.93 -2.23 0.00 0.00 178.31 177.07 1pg3 h GLU 485 N -0.48 0.91 -0.12 1.11 5.08 -1.03 -2.58 114.58 117.48 1pg3 h GLU 485 Ca 0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1pg3 h GLU 485 Cb 0.51 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1pg3 h GLU 485 CO -0.17 0.64 -0.03 0.37 -1.00 0.00 0.00 179.01 178.82 1pg3 h GLN 486 N 0.92 0.23 -0.67 2.33 4.15 -0.99 0.22 115.11 121.29 1pg3 h GLN 486 Ca 0.24 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1pg3 h GLN 486 Cb -0.04 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1pg3 h GLN 486 CO -0.05 0.54 0.31 1.15 -1.93 0.00 0.00 178.83 178.85 1pg3 h THR 487 N -0.10 1.23 0.00 2.39 2.02 -0.66 -3.05 112.91 114.75 1pg3 h THR 487 Ca 0.03 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1pg3 h THR 487 Cb 0.46 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1pg3 h THR 487 CO 0.01 0.28 -1.30 -1.22 0.37 0.00 0.00 175.52 173.66 1pg3 n TYR 488 N -4.44 0.00 -0.16 3.16 4.02 -0.98 -4.75 117.16 114.02 1pg3 n TYR 488 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1pg3 n TYR 488 Cb 0.14 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1pg3 n TYR 488 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1pg3 n PHE 489 N -1.76 0.00 0.10 -0.72 3.01 0.74 -0.29 117.46 118.53 1pg3 n PHE 489 Ca -0.01 -0.34 0.09 0.00 1.01 0.00 0.00 57.45 58.20 1pg3 n PHE 489 Cb 0.30 -0.03 -0.13 0.00 -0.01 0.00 0.00 39.48 39.61 1pg3 n PHE 489 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pg3 n SER 490 N -0.34 0.93 -0.04 4.37 3.41 -1.02 -4.36 113.62 116.58 1pg3 n SER 490 Ca 0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1pg3 n SER 490 Cb 0.24 1.70 -0.08 0.00 -0.26 0.00 0.00 64.21 65.81 1pg3 n SER 490 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pg3 h THR 491 N 0.00 1.35 -3.51 6.66 2.02 -1.86 -3.40 112.91 114.17 1pg3 h THR 491 Ca 0.00 -1.20 -0.61 0.00 0.77 0.00 0.00 66.41 65.37 1pg3 h THR 491 Cb 0.76 1.92 -0.39 0.00 -1.74 0.00 0.00 68.15 68.69 1pg3 h THR 491 CO 0.00 0.34 -0.76 -0.36 0.37 0.00 0.00 175.52 175.11 1pg3 s PHE 492 N -4.37 2.50 0.17 3.16 0.40 -1.26 -4.89 117.98 113.68 1pg3 s PHE 492 Ca -0.15 -2.02 -0.33 0.00 -0.60 0.00 0.00 56.93 53.83 1pg3 s PHE 492 Cb 0.04 -1.92 -0.16 0.00 0.51 0.00 0.00 43.02 41.50 1pg3 s PHE 492 CO 0.72 -0.84 1.17 1.63 0.70 0.00 0.00 175.22 178.61 1pg3 n LYS 493 N 4.63 1.16 -1.04 0.44 4.76 -1.26 -1.74 118.16 125.10 1pg3 n LYS 493 Ca -0.05 0.41 -0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1pg3 n LYS 493 Cb 0.43 -1.92 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1pg3 n LYS 493 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pg3 n ASN 494 N 2.03 -4.71 -4.19 4.39 3.02 -1.24 -4.98 115.26 109.58 1pg3 n ASN 494 Ca 0.15 0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.57 1pg3 n ASN 494 Cb 0.24 -2.34 -0.11 0.00 -0.61 0.00 0.00 39.78 36.95 1pg3 n ASN 494 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1pg3 s MET 495 N -1.39 0.87 -0.27 3.52 -1.94 -0.71 -4.79 119.30 114.60 1pg3 s MET 495 Ca 0.00 -1.07 -0.20 0.00 -1.71 0.00 0.00 55.69 52.71 1pg3 s MET 495 Cb 0.00 -0.78 -0.02 0.00 2.01 0.00 0.00 34.83 36.04 1pg3 s MET 495 CO 0.00 0.16 0.62 -0.47 -0.01 0.00 0.00 175.02 175.31 1pg3 s TYR 496 N -1.75 3.26 -0.28 -0.03 5.04 -0.66 -4.28 117.35 118.65 1pg3 s TYR 496 Ca 0.02 0.75 -0.11 0.00 -2.44 0.00 0.00 57.07 55.29 1pg3 s TYR 496 Cb -0.07 -2.86 -0.05 0.00 0.35 0.00 0.00 41.96 39.33 1pg3 s TYR 496 CO 0.02 -0.36 0.18 0.12 -1.34 0.00 0.00 175.55 174.18 1pg3 s PHE 497 N 2.51 3.21 -0.43 4.97 5.36 0.60 -1.38 117.98 132.82 1pg3 s PHE 497 Ca 0.25 0.04 0.26 0.00 -0.96 0.00 0.00 56.93 56.52 1pg3 s PHE 497 Cb -0.15 -2.38 0.67 0.00 -0.34 0.00 0.00 43.02 40.82 1pg3 s PHE 497 CO 0.09 -0.20 1.72 0.66 -1.46 0.00 0.00 175.22 176.04 1pg3 h SER 498 N 8.37 0.00 0.00 6.13 4.64 -1.84 -3.43 113.55 127.42 1pg3 h SER 498 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1pg3 h SER 498 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pg3 h SER 498 CO 0.56 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1pg3 n GLY 499 N 0.90 0.67 3.66 -0.77 0.00 -1.26 -5.03 105.19 103.36 1pg3 n GLY 499 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1pg3 n GLY 499 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg3 s ASP 500 N -2.25 4.88 0.31 1.61 1.01 -1.26 -0.86 116.67 120.11 1pg3 s ASP 500 Ca 0.00 -0.21 0.07 0.00 0.71 0.00 0.00 52.55 53.12 1pg3 s ASP 500 Cb 0.00 -1.12 -0.03 0.00 1.01 0.00 0.00 42.92 42.78 1pg3 s ASP 500 CO 0.00 0.19 0.26 -0.83 0.21 0.00 0.00 175.17 175.00 1pg3 s GLY 501 N -2.20 1.64 0.06 0.21 0.00 0.07 -0.96 107.32 106.13 1pg3 s GLY 501 Ca 0.24 -1.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.12 1pg3 s GLY 501 CO 0.16 -1.53 1.05 0.00 0.00 0.00 0.00 173.10 172.78 1pg3 s ALA 502 N -2.24 -1.87 0.18 3.20 0.00 -0.54 -1.85 121.76 118.65 1pg3 s ALA 502 Ca 0.38 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1pg3 s ALA 502 Cb -0.07 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1pg3 s ALA 502 CO 0.26 -0.95 -0.12 -0.98 0.00 0.00 0.00 175.76 173.96 1pg3 s ARG 503 N -2.97 1.23 -0.05 0.00 1.70 -0.13 -0.77 118.95 117.96 1pg3 s ARG 503 Ca 0.11 -1.54 0.01 0.00 -0.47 0.00 0.00 55.73 53.85 1pg3 s ARG 503 Cb 0.00 -0.92 0.02 0.00 -0.57 0.00 0.00 34.95 33.48 1pg3 s ARG 503 CO -0.02 0.14 -0.07 0.50 -1.08 0.00 0.00 175.30 174.77 1pg3 s ARG 504 N -3.69 1.05 0.74 3.89 3.52 0.28 0.66 118.95 125.41 1pg3 s ARG 504 Ca 0.20 -0.19 -0.05 0.00 -0.13 0.00 0.00 55.73 55.57 1pg3 s ARG 504 Cb 0.01 -0.98 0.16 0.00 -1.56 0.00 0.00 34.95 32.58 1pg3 s ARG 504 CO 0.05 -0.05 1.02 -0.40 -0.81 0.00 0.00 175.30 175.11 1pg3 n ASP 505 N 3.96 0.88 -0.09 -2.12 5.68 -0.69 -1.97 116.55 122.20 1pg3 n ASP 505 Ca -0.25 -1.86 0.23 0.00 -0.50 0.00 0.00 54.79 52.41 1pg3 n ASP 505 Cb 0.51 -0.70 0.68 0.00 -1.14 0.00 0.00 41.12 40.46 1pg3 n ASP 505 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pg3 h GLU 506 N 0.00 0.05 -0.00 0.11 -0.00 -1.92 0.26 114.58 113.08 1pg3 h GLU 506 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1pg3 h GLU 506 Cb 1.12 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1pg3 h GLU 506 CO 0.31 0.04 -0.14 -0.25 -0.00 0.00 0.00 179.01 178.96 1pg3 n ASP 507 N -4.35 0.48 0.00 3.06 8.00 -1.26 -4.92 116.55 117.56 1pg3 n ASP 507 Ca 0.14 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1pg3 n ASP 507 Cb 0.74 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1pg3 n ASP 507 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg3 n GLY 508 N 1.32 0.66 3.73 0.44 0.00 0.08 -5.05 105.19 106.38 1pg3 n GLY 508 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1pg3 n GLY 508 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pg3 s TYR 509 N -2.53 3.28 0.15 1.61 1.51 -1.26 -4.69 117.35 115.42 1pg3 s TYR 509 Ca 0.00 1.20 -0.10 0.00 -1.01 0.00 0.00 57.07 57.17 1pg3 s TYR 509 Cb 0.00 -3.59 -0.06 0.00 -0.11 0.00 0.00 41.96 38.20 1pg3 s TYR 509 CO 0.00 -1.86 0.47 0.71 -1.11 0.00 0.00 175.55 173.76 1pg3 s TYR 510 N 0.29 3.51 -0.24 2.71 1.51 0.43 -1.70 117.35 123.86 1pg3 s TYR 510 Ca 0.58 0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 57.44 1pg3 s TYR 510 Cb -0.36 -2.20 0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1pg3 s TYR 510 CO 0.36 0.40 0.03 -1.58 -1.11 0.00 0.00 175.55 173.66 1pg3 s TRP 511 N -1.60 1.58 -0.06 2.71 0.52 0.21 -2.79 118.94 119.51 1pg3 s TRP 511 Ca 0.40 -1.36 -0.30 0.00 0.02 0.00 0.00 56.10 54.87 1pg3 s TRP 511 Cb -0.13 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1pg3 s TRP 511 CO 0.21 -0.73 1.43 0.42 0.02 0.00 0.00 176.95 178.29 1pg3 s ILE 512 N 1.67 3.85 -2.49 2.03 -1.09 -1.26 -0.96 121.20 122.95 1pg3 s ILE 512 Ca 0.01 1.12 0.22 0.00 -2.23 0.00 0.00 60.65 59.78 1pg3 s ILE 512 Cb -0.18 -3.72 0.32 0.00 -1.58 0.00 0.00 42.46 37.30 1pg3 s ILE 512 CO -0.13 -0.06 1.30 0.35 -1.23 0.00 0.00 174.94 175.18 1pg3 n THR 513 N 5.08 0.32 0.00 2.92 -2.24 -0.77 -4.88 114.28 114.72 1pg3 n THR 513 Ca 0.14 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1pg3 n THR 513 Cb 0.44 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1pg3 n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg3 n GLY 514 N 1.35 1.58 3.77 3.38 0.00 -1.24 -4.89 105.19 109.13 1pg3 n GLY 514 Ca 0.16 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1pg3 n GLY 514 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg3 s ARG 515 N -1.90 4.14 0.00 1.61 1.81 -1.26 -0.75 118.95 122.60 1pg3 s ARG 515 Ca 0.00 2.53 0.18 0.00 -1.72 0.00 0.00 55.73 56.71 1pg3 s ARG 515 Cb 0.00 -3.00 -0.08 0.00 -0.45 0.00 0.00 34.95 31.43 1pg3 s ARG 515 CO 0.00 -0.52 0.85 1.33 -0.68 0.00 0.00 175.30 176.28 1pg3 n VAL 516 N 0.92 0.00 -2.14 3.52 0.24 -0.04 -4.79 118.33 116.05 1pg3 n VAL 516 Ca 0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1pg3 n VAL 516 Cb 0.39 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1pg3 n VAL 516 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pg3 n ASP 517 N -0.60 0.00 -3.04 -1.34 3.85 -1.24 -4.99 116.55 109.19 1pg3 n ASP 517 Ca 0.06 -0.25 -0.39 0.00 -0.71 0.00 0.00 54.79 53.49 1pg3 n ASP 517 Cb 0.33 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.13 1pg3 n ASP 517 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1pg3 n ASP 518 N -0.76 7.44 -4.34 -1.12 8.00 -1.26 -4.90 116.55 119.60 1pg3 n ASP 518 Ca 0.00 -3.76 -0.35 0.00 0.71 0.00 0.00 54.79 51.40 1pg3 n ASP 518 Cb 0.00 -1.11 -0.14 0.00 -0.02 0.00 0.00 41.12 39.86 1pg3 n ASP 518 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pg3 s VAL 519 N -4.67 3.39 0.52 2.53 1.01 -1.26 -1.66 120.40 120.25 1pg3 s VAL 519 Ca 0.50 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1pg3 s VAL 519 Cb 0.38 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1pg3 s VAL 519 CO -0.35 0.45 0.80 -0.76 0.00 0.00 0.00 175.10 175.24 1pg3 s LEU 520 N 1.17 3.48 -0.51 3.92 1.43 0.54 -4.72 118.68 123.99 1pg3 s LEU 520 Ca 0.02 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1pg3 s LEU 520 Cb -0.14 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.65 1pg3 s LEU 520 CO -0.01 -0.79 0.36 0.21 0.23 0.00 0.00 176.35 176.34 1pg3 s ASN 521 N -4.21 3.16 -0.43 2.29 2.47 -1.26 -1.90 114.94 115.06 1pg3 s ASN 521 Ca 0.50 -3.16 -0.17 0.00 0.42 0.00 0.00 52.86 50.45 1pg3 s ASN 521 Cb -0.10 -0.97 0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1pg3 s ASN 521 CO 0.43 -0.18 0.41 -0.69 -3.72 0.00 0.00 177.10 173.36 1pg3 s VAL 522 N -0.29 5.13 -1.47 -5.21 1.01 -0.42 -3.38 120.40 115.75 1pg3 s VAL 522 Ca 0.26 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1pg3 s VAL 522 Cb -0.08 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1pg3 s VAL 522 CO -0.13 -0.43 0.85 -1.20 0.00 0.00 0.00 175.10 174.19 1pg3 n SER 523 N 5.50 -6.02 -0.02 3.32 7.64 -0.49 -1.11 113.62 122.44 1pg3 n SER 523 Ca -0.08 -0.42 -0.00 0.00 1.01 0.00 0.00 58.87 59.37 1pg3 n SER 523 Cb 0.47 -4.81 -0.00 0.00 -1.01 0.00 0.00 64.21 58.85 1pg3 n SER 523 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg3 n GLY 524 N -1.71 0.47 3.31 0.23 0.00 -1.26 -4.90 105.19 101.33 1pg3 n GLY 524 Ca -0.05 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1pg3 n GLY 524 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg3 s HIS 525 N -1.99 2.87 -0.17 1.61 3.76 -0.27 -4.92 115.29 116.19 1pg3 s HIS 525 Ca 0.00 -0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 53.71 1pg3 s HIS 525 Cb 0.00 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1pg3 s HIS 525 CO 0.00 -0.44 1.26 0.50 -0.85 0.00 0.00 174.74 175.21 1pg3 s ARG 526 N 0.98 4.22 0.05 1.40 3.52 -1.26 -1.31 118.95 126.54 1pg3 s ARG 526 Ca -0.01 1.63 0.05 0.00 -0.13 0.00 0.00 55.73 57.27 1pg3 s ARG 526 Cb -0.15 -3.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1pg3 s ARG 526 CO -0.01 -0.73 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.09 1pg3 s LEU 527 N 3.54 2.19 -0.11 -0.88 1.43 -0.80 -4.54 118.68 119.51 1pg3 s LEU 527 Ca 0.54 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.92 1pg3 s LEU 527 Cb -0.21 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1pg3 s LEU 527 CO 0.15 0.04 0.65 -0.83 0.23 0.00 0.00 176.35 176.59 1pg3 s GLY 528 N -1.27 2.42 0.17 -3.19 0.00 -1.26 -0.34 107.32 103.85 1pg3 s GLY 528 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 1pg3 s GLY 528 CO 0.02 1.16 1.66 -0.84 0.00 0.00 0.00 173.10 175.09 1pg3 h THR 529 N 4.87 1.26 -0.26 0.90 2.02 -1.52 -2.78 112.91 117.39 1pg3 h THR 529 Ca -0.38 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1pg3 h THR 529 Cb 1.18 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1pg3 h THR 529 CO 0.76 0.36 0.08 0.00 0.37 0.00 0.00 175.52 177.10 1pg3 h ALA 530 N 1.00 0.34 -0.86 6.16 0.00 -1.78 -2.66 119.26 121.46 1pg3 h ALA 530 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pg3 h ALA 530 Cb 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1pg3 h ALA 530 CO 0.01 -0.04 0.56 1.05 0.00 0.00 0.00 179.25 180.84 1pg3 h GLU 531 N 0.25 1.08 -0.49 0.00 4.11 -1.73 -0.97 114.58 116.84 1pg3 h GLU 531 Ca 0.08 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.38 1pg3 h GLU 531 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1pg3 h GLU 531 CO -0.00 0.72 0.04 0.82 0.07 0.00 0.00 179.01 180.65 1pg3 h ILE 532 N 1.12 1.23 -0.36 -1.06 2.04 -1.43 -1.60 117.51 117.46 1pg3 h ILE 532 Ca 0.33 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1pg3 h ILE 532 Cb -0.05 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1pg3 h ILE 532 CO -0.10 0.33 0.05 -0.33 0.00 0.00 0.00 178.15 178.11 1pg3 h GLU 533 N 0.74 0.59 -0.81 2.37 5.08 -1.00 -1.63 114.58 119.92 1pg3 h GLU 533 Ca 0.15 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pg3 h GLU 533 Cb 0.40 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1pg3 h GLU 533 CO 0.01 0.67 0.46 0.77 -1.00 0.00 0.00 179.01 179.92 1pg3 h SER 534 N 0.43 1.00 -0.38 1.42 0.02 -0.93 0.23 113.55 115.33 1pg3 h SER 534 Ca 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1pg3 h SER 534 Cb 0.37 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1pg3 h SER 534 CO 0.01 0.80 0.16 0.00 -1.14 0.00 0.00 176.83 176.65 1pg3 h ALA 535 N 1.37 0.50 0.23 3.77 0.00 -1.07 -0.83 119.26 123.22 1pg3 h ALA 535 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pg3 h ALA 535 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1pg3 h ALA 535 CO -0.05 0.09 -0.11 -0.07 0.00 0.00 0.00 179.25 179.12 1pg3 h LEU 536 N 0.48 -0.26 -1.46 0.00 3.38 -0.75 -2.47 115.31 114.23 1pg3 h LEU 536 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pg3 h LEU 536 Cb 0.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pg3 h LEU 536 CO -0.01 -0.11 0.00 0.58 0.09 0.00 0.00 178.44 178.99 1pg3 h VAL 537 N -0.40 0.00 0.00 1.22 2.07 -0.89 -0.58 116.25 117.67 1pg3 h VAL 537 Ca -0.03 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1pg3 h VAL 537 Cb 0.30 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1pg3 h VAL 537 CO 0.05 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.51 1pg3 h ALA 538 N 2.08 1.05 -2.68 1.67 0.00 -0.66 -3.44 119.26 117.28 1pg3 h ALA 538 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1pg3 h ALA 538 Cb 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.98 1pg3 h ALA 538 CO 0.00 0.16 0.69 -1.58 0.00 0.00 0.00 179.25 178.52 1pg3 s HIS 539 N -3.74 3.19 0.44 0.00 5.04 -0.23 -4.92 115.29 115.08 1pg3 s HIS 539 Ca 0.00 1.14 0.21 0.00 -1.54 0.00 0.00 55.06 54.87 1pg3 s HIS 539 Cb 0.10 -3.67 1.19 0.00 0.04 0.00 0.00 32.58 30.24 1pg3 s HIS 539 CO 0.59 -2.16 1.84 -1.35 -2.34 0.00 0.00 174.74 171.32 1pg3 h PRO 540 N 5.42 0.30 -0.09 2.88 0.11 -1.88 -1.81 132.00 136.93 1pg3 h PRO 540 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pg3 h PRO 540 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pg3 h PRO 540 CO 0.78 0.20 0.00 1.63 -0.21 0.00 0.00 178.00 180.40 1pg3 n LYS 541 N -4.48 2.03 -4.05 1.05 5.02 -1.26 -4.87 118.16 111.60 1pg3 n LYS 541 Ca 0.21 -1.51 -0.35 0.00 -2.02 0.00 0.00 58.31 54.64 1pg3 n LYS 541 Cb 0.82 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 1pg3 n LYS 541 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pg3 s ILE 542 N -1.90 4.04 -0.10 -0.18 1.01 -0.68 -2.29 121.20 121.09 1pg3 s ILE 542 Ca 0.34 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.74 1pg3 s ILE 542 Cb 0.20 -2.83 -0.24 0.00 0.01 0.00 0.00 42.46 39.60 1pg3 s ILE 542 CO 0.31 0.42 0.44 0.00 0.00 0.00 0.00 174.94 176.11 1pg3 n ALA 543 N 4.23 1.23 -3.50 9.38 0.00 -0.35 -4.70 120.51 126.80 1pg3 n ALA 543 Ca -0.17 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.38 1pg3 n ALA 543 Cb 0.52 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1pg3 n ALA 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pg3 s GLU 544 N -2.57 1.01 0.02 0.00 2.12 -1.06 -4.97 118.70 113.25 1pg3 s GLU 544 Ca -0.15 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.04 1pg3 s GLU 544 Cb 0.07 0.47 0.02 0.00 0.26 0.00 0.00 34.13 34.95 1pg3 s GLU 544 CO 0.79 -0.37 0.28 0.00 -0.54 0.00 0.00 175.26 175.42 1pg3 s ALA 545 N -2.05 -0.65 -0.10 6.30 0.00 -1.26 0.04 121.76 124.05 1pg3 s ALA 545 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1pg3 s ALA 545 Cb -0.00 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1pg3 s ALA 545 CO 0.01 -0.33 0.05 0.00 0.00 0.00 0.00 175.76 175.48 1pg3 s ALA 546 N -1.98 0.50 -0.16 0.00 0.00 0.16 -4.93 121.76 115.35 1pg3 s ALA 546 Ca -0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1pg3 s ALA 546 Cb -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1pg3 s ALA 546 CO 0.00 -0.72 0.06 0.08 0.00 0.00 0.00 175.76 175.18 1pg3 s VAL 547 N 2.07 4.75 0.11 0.00 1.01 -1.26 -0.05 120.40 127.03 1pg3 s VAL 547 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1pg3 s VAL 547 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1pg3 s VAL 547 CO -0.06 0.50 -0.07 0.68 0.00 0.00 0.00 175.10 176.15 1pg3 s VAL 548 N 0.03 0.77 -0.07 2.92 -7.23 0.18 -4.96 120.40 112.04 1pg3 s VAL 548 Ca 0.05 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1pg3 s VAL 548 Cb -0.12 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1pg3 s VAL 548 CO 0.01 -0.85 0.06 -0.83 -0.31 0.00 0.00 175.10 173.18 1pg3 s GLY 549 N -3.06 1.99 0.14 2.32 0.00 -1.26 -1.05 107.32 106.39 1pg3 s GLY 549 Ca 0.13 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.14 1pg3 s GLY 549 CO -0.04 -0.56 -0.17 -0.26 0.00 0.00 0.00 173.10 172.07 1pg3 s ILE 550 N -1.01 1.60 0.54 0.90 -4.36 -0.68 -4.85 121.20 113.34 1pg3 s ILE 550 Ca 0.16 -1.78 -0.21 0.00 -0.26 0.00 0.00 60.65 58.56 1pg3 s ILE 550 Cb -0.12 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 1pg3 s ILE 550 CO 0.06 -0.32 1.27 -2.65 0.24 0.00 0.00 174.94 173.54 1pg3 n PRO 551 N 0.50 1.53 -3.67 0.37 -0.02 -1.26 -0.49 135.00 131.97 1pg3 n PRO 551 Ca -0.15 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1pg3 n PRO 551 Cb 0.57 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 1pg3 n PRO 551 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pg3 s HIS 552 N -1.32 -0.54 0.54 6.00 2.46 -0.99 -4.53 115.29 116.91 1pg3 s HIS 552 Ca 0.72 1.14 0.31 0.00 0.47 0.00 0.00 55.06 57.69 1pg3 s HIS 552 Cb -0.43 0.08 1.47 0.00 -0.13 0.00 0.00 32.58 33.58 1pg3 s HIS 552 CO 0.49 -0.38 1.90 0.00 -2.47 0.00 0.00 174.74 174.28 1pg3 h ALA 553 N 8.12 2.82 0.00 1.58 0.00 -1.95 0.44 119.26 130.26 1pg3 h ALA 553 Ca -0.18 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1pg3 h ALA 553 Cb 1.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pg3 h ALA 553 CO 0.15 -1.07 -1.11 -0.89 0.00 0.00 0.00 179.25 176.34 1pg3 n ILE 554 N -4.28 1.45 0.33 0.00 2.08 -1.26 -4.67 119.36 113.01 1pg3 n ILE 554 Ca 0.18 0.09 0.15 0.00 0.56 0.00 0.00 62.75 63.73 1pg3 n ILE 554 Cb 0.93 -2.19 0.63 0.00 -0.75 0.00 0.00 39.64 38.26 1pg3 n ILE 554 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1pg3 h LYS 555 N -0.88 0.00 0.00 0.38 1.57 -1.90 -3.42 116.57 112.32 1pg3 h LYS 555 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pg3 h LYS 555 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1pg3 h LYS 555 CO -0.06 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.23 1pg3 n GLY 556 N -0.02 2.13 2.74 3.86 0.00 0.14 -1.39 105.19 112.64 1pg3 n GLY 556 Ca 0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1pg3 n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pg3 s GLN 557 N 0.00 -0.04 0.14 1.61 -0.21 -1.22 -2.35 119.66 117.60 1pg3 s GLN 557 Ca 0.00 0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.75 1pg3 s GLN 557 Cb 0.00 -0.41 -0.06 0.00 1.00 0.00 0.00 33.01 33.54 1pg3 s GLN 557 CO 0.00 -0.31 0.41 0.00 -2.12 0.00 0.00 175.29 173.26 1pg3 s ALA 558 N 2.15 3.74 -0.26 6.09 0.00 0.36 -4.32 121.76 129.53 1pg3 s ALA 558 Ca 0.04 -0.48 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 1pg3 s ALA 558 Cb -0.12 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 1pg3 s ALA 558 CO -0.04 0.62 0.82 0.42 0.00 0.00 0.00 175.76 177.59 1pg3 s ILE 559 N -1.62 4.82 -0.21 0.00 1.01 -1.26 -1.68 121.20 122.26 1pg3 s ILE 559 Ca 0.40 1.49 -0.02 0.00 0.00 0.00 0.00 60.65 62.52 1pg3 s ILE 559 Cb -0.12 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1pg3 s ILE 559 CO 0.22 -0.11 -0.10 -0.47 0.00 0.00 0.00 174.94 174.48 1pg3 s TYR 560 N 2.87 2.90 -0.19 3.97 6.14 -0.22 -0.01 117.35 132.81 1pg3 s TYR 560 Ca 0.34 -1.21 0.01 0.00 0.64 0.00 0.00 57.07 56.85 1pg3 s TYR 560 Cb -0.15 -2.04 0.02 0.00 0.42 0.00 0.00 41.96 40.21 1pg3 s TYR 560 CO 0.08 -0.65 -0.17 0.00 0.64 0.00 0.00 175.55 175.45 1pg3 s ALA 561 N 1.41 2.41 -0.16 3.97 0.00 0.40 -0.64 121.76 129.14 1pg3 s ALA 561 Ca 0.05 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.48 1pg3 s ALA 561 Cb -0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1pg3 s ALA 561 CO -0.07 -0.45 0.84 0.71 0.00 0.00 0.00 175.76 176.79 1pg3 s TYR 562 N 1.29 3.44 -0.11 0.00 1.51 0.93 -0.84 117.35 123.56 1pg3 s TYR 562 Ca 0.04 1.29 0.01 0.00 -1.01 0.00 0.00 57.07 57.40 1pg3 s TYR 562 Cb -0.14 -3.02 0.02 0.00 -0.11 0.00 0.00 41.96 38.71 1pg3 s TYR 562 CO -0.11 -0.22 -0.14 0.08 -1.11 0.00 0.00 175.55 174.04 1pg3 s VAL 563 N 2.08 1.46 -0.24 0.71 1.01 -0.28 -0.66 120.40 124.48 1pg3 s VAL 563 Ca 0.39 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1pg3 s VAL 563 Cb -0.17 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1pg3 s VAL 563 CO 0.13 0.43 0.14 -0.89 0.00 0.00 0.00 175.10 174.91 1pg3 s THR 564 N 1.07 5.05 0.23 3.92 2.01 0.11 -1.76 115.64 126.26 1pg3 s THR 564 Ca -0.05 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 1pg3 s THR 564 Cb -0.15 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1pg3 s THR 564 CO -0.03 0.33 0.54 -0.76 -0.69 0.00 0.00 174.62 174.02 1pg3 s LEU 565 N 1.26 4.16 0.72 4.42 1.43 -1.26 -1.21 118.68 128.19 1pg3 s LEU 565 Ca 0.06 0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1pg3 s LEU 565 Cb -0.14 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1pg3 s LEU 565 CO 0.06 -0.08 1.11 0.20 0.23 0.00 0.00 176.35 177.86 1pg3 s ASN 566 N -2.46 4.76 0.54 2.29 0.01 -0.97 -4.73 114.94 114.38 1pg3 s ASN 566 Ca 0.47 1.94 -0.22 0.00 -0.71 0.00 0.00 52.86 54.34 1pg3 s ASN 566 Cb -0.11 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 1pg3 s ASN 566 CO 0.22 -1.86 1.38 -1.00 -1.51 0.00 0.00 177.10 174.33 1pg3 s HIS 567 N -2.57 2.27 0.00 2.20 3.76 -1.26 -2.40 115.29 117.29 1pg3 s HIS 567 Ca 0.65 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.90 1pg3 s HIS 567 Cb -0.19 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.65 1pg3 s HIS 567 CO 0.48 -3.01 0.00 0.41 -0.85 0.00 0.00 174.74 171.78 1pg3 n GLY 568 N 0.71 2.89 3.68 -2.22 0.00 -1.26 -5.02 105.19 103.97 1pg3 n GLY 568 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1pg3 n GLY 568 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg3 s GLU 569 N -0.69 4.23 -0.11 1.61 0.41 -1.01 -5.06 118.70 118.08 1pg3 s GLU 569 Ca 0.00 0.45 0.01 0.00 -0.41 0.00 0.00 54.97 55.02 1pg3 s GLU 569 Cb 0.00 -3.53 -0.02 0.00 -1.78 0.00 0.00 34.13 28.80 1pg3 s GLU 569 CO 0.00 -0.08 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.33 1pg3 s GLU 570 N 1.41 3.14 0.27 1.61 2.02 -1.26 -4.87 118.70 121.03 1pg3 s GLU 570 Ca 0.25 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 1pg3 s GLU 570 Cb -0.15 -2.53 -0.12 0.00 0.10 0.00 0.00 34.13 31.43 1pg3 s GLU 570 CO 0.10 0.30 1.61 -2.30 0.02 0.00 0.00 175.26 174.98 1pg3 n PRO 571 N 3.26 2.65 -3.89 0.39 -0.02 -1.26 -4.89 135.00 131.23 1pg3 n PRO 571 Ca -0.18 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1pg3 n PRO 571 Cb 0.53 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1pg3 n PRO 571 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pg3 s SER 572 N 0.62 -0.06 0.33 2.55 1.04 -1.26 -5.02 113.70 111.91 1pg3 s SER 572 Ca 0.67 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1pg3 s SER 572 Cb -0.52 0.48 0.67 0.00 0.10 0.00 0.00 66.02 66.76 1pg3 s SER 572 CO 0.45 -0.95 1.91 -0.65 0.98 0.00 0.00 173.24 174.99 1pg3 h PRO 573 N 2.43 0.83 0.10 4.02 0.11 -1.99 -1.33 132.00 136.17 1pg3 h PRO 573 Ca -0.31 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pg3 h PRO 573 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pg3 h PRO 573 CO 0.45 0.55 -0.05 1.49 -0.21 0.00 0.00 178.00 180.23 1pg3 h GLU 574 N 0.86 -0.12 -0.25 1.05 4.22 -1.97 -1.94 114.58 116.43 1pg3 h GLU 574 Ca 0.38 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.78 1pg3 h GLU 574 Cb 0.35 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1pg3 h GLU 574 CO -0.15 0.09 -0.07 1.25 -2.18 0.00 0.00 179.01 177.95 1pg3 h LEU 575 N -0.32 0.36 -0.03 1.64 5.85 -1.83 0.14 115.31 121.12 1pg3 h LEU 575 Ca -0.01 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1pg3 h LEU 575 Cb 0.27 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1pg3 h LEU 575 CO 0.02 0.48 0.02 0.22 -0.34 0.00 0.00 178.44 178.84 1pg3 h TYR 576 N 0.37 0.04 -0.17 1.25 3.20 -1.09 0.09 116.97 120.67 1pg3 h TYR 576 Ca 0.08 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1pg3 h TYR 576 Cb 0.36 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pg3 h TYR 576 CO 0.01 0.09 -0.31 0.00 -1.64 0.00 0.00 178.16 176.30 1pg3 h ALA 577 N 0.95 1.15 -0.35 1.82 0.00 -0.86 -2.82 119.26 119.15 1pg3 h ALA 577 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1pg3 h ALA 577 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pg3 h ALA 577 CO -0.00 0.55 -0.11 1.49 0.00 0.00 0.00 179.25 181.18 1pg3 h GLU 578 N 0.29 0.70 -0.51 0.00 4.81 -0.30 -2.00 114.58 117.58 1pg3 h GLU 578 Ca 0.04 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1pg3 h GLU 578 Cb 0.70 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1pg3 h GLU 578 CO 0.05 0.87 0.00 0.28 -0.73 0.00 0.00 179.01 179.48 1pg3 h VAL 579 N 0.49 1.25 -0.01 0.32 2.07 -0.92 -0.73 116.25 118.72 1pg3 h VAL 579 Ca 0.09 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1pg3 h VAL 579 Cb 0.62 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1pg3 h VAL 579 CO 0.04 0.37 0.00 0.03 0.02 0.00 0.00 177.57 178.03 1pg3 h ARG 580 N 0.79 0.02 0.00 1.57 3.08 -1.41 -2.70 114.38 115.73 1pg3 h ARG 580 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1pg3 h ARG 580 Cb 0.47 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1pg3 h ARG 580 CO 0.02 0.32 0.00 -0.91 -1.07 0.00 0.00 179.97 178.33 1pg3 h ASN 581 N -0.27 0.00 -0.14 7.04 2.35 -1.24 -2.20 115.58 121.12 1pg3 h ASN 581 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1pg3 h ASN 581 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1pg3 h ASN 581 CO 0.00 0.00 -0.22 -0.25 -1.65 0.00 0.00 177.43 175.31 1pg3 h TRP 582 N 0.00 0.49 -0.69 1.19 2.91 -0.81 -0.10 115.95 118.94 1pg3 h TRP 582 Ca 0.00 -0.17 -0.05 0.00 1.13 0.00 0.00 58.89 59.80 1pg3 h TRP 582 Cb 0.27 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 1pg3 h TRP 582 CO 0.00 0.84 0.24 0.28 -1.03 0.00 0.00 178.44 178.77 1pg3 h VAL 583 N 0.00 1.24 -0.68 2.65 2.07 -1.21 0.46 116.25 120.78 1pg3 h VAL 583 Ca 0.01 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pg3 h VAL 583 Cb 0.80 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1pg3 h VAL 583 CO 0.05 0.32 0.41 -0.09 0.02 0.00 0.00 177.57 178.28 1pg3 h ARG 584 N 1.01 0.92 0.13 1.57 2.43 -1.24 0.23 114.38 119.43 1pg3 h ARG 584 Ca 0.23 -0.08 -0.30 0.00 -0.81 0.00 0.00 59.98 59.02 1pg3 h ARG 584 Cb 0.25 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1pg3 h ARG 584 CO -0.01 0.65 -1.25 -0.22 -1.51 0.00 0.00 179.97 177.62 1pg3 h LYS 585 N 0.94 0.55 -0.04 0.20 3.64 -0.02 -2.71 116.57 119.12 1pg3 h LYS 585 Ca 0.25 -0.76 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 1pg3 h LYS 585 Cb -0.04 0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1pg3 h LYS 585 CO -0.05 1.34 -0.39 0.93 -2.27 0.00 0.00 179.45 179.02 1pg3 h GLU 586 N 0.23 0.33 0.00 1.90 4.39 0.21 -3.38 114.58 118.27 1pg3 h GLU 586 Ca -0.18 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 1pg3 h GLU 586 Cb 1.93 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1pg3 h GLU 586 CO 0.23 0.97 -1.10 -0.89 -1.16 0.00 0.00 179.01 177.06 1pg3 n ILE 587 N -4.38 0.26 0.00 3.13 5.41 0.75 -3.78 119.36 120.74 1pg3 n ILE 587 Ca -0.09 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1pg3 n ILE 587 Cb 0.55 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1pg3 n ILE 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pg3 n GLY 588 N 2.83 3.26 0.31 7.39 0.00 -0.81 -2.15 105.19 116.03 1pg3 n GLY 588 Ca -0.06 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.84 1pg3 n GLY 588 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg3 h PRO 589 N 0.00 0.00 0.00 1.61 0.13 -1.72 -2.09 132.00 129.93 1pg3 h PRO 589 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pg3 h PRO 589 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pg3 h PRO 589 CO 0.00 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.70 1pg3 h LEU 590 N 0.00 0.00 -2.05 1.56 3.38 -1.93 -2.67 115.31 113.60 1pg3 h LEU 590 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pg3 h LEU 590 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pg3 h LEU 590 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1pg3 n ALA 591 N -2.01 2.41 -1.79 1.53 0.00 -0.79 -4.98 120.51 114.88 1pg3 n ALA 591 Ca -0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 1pg3 n ALA 591 Cb 0.22 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1pg3 n ALA 591 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pg3 s THR 592 N -1.36 2.73 0.14 0.00 2.01 -1.01 -4.91 115.64 113.24 1pg3 s THR 592 Ca 0.26 0.21 -0.33 0.00 0.31 0.00 0.00 61.69 62.14 1pg3 s THR 592 Cb 0.17 -3.13 -0.13 0.00 0.01 0.00 0.00 72.50 69.41 1pg3 s THR 592 CO 0.24 -0.00 1.64 -2.65 -0.69 0.00 0.00 174.62 173.16 1pg3 n PRO 593 N 5.73 2.29 0.17 4.92 -0.02 -1.26 -4.77 135.00 142.06 1pg3 n PRO 593 Ca 0.17 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 1pg3 n PRO 593 Cb 0.39 -2.62 0.09 0.00 -0.02 0.00 0.00 33.50 31.34 1pg3 n PRO 593 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pg3 h ASP 594 N 6.51 0.00 -3.32 2.55 3.32 -0.78 -3.44 116.42 121.26 1pg3 h ASP 594 Ca -0.45 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.33 1pg3 h ASP 594 Cb 1.25 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.46 1pg3 h ASP 594 CO 0.91 0.23 -0.62 -0.69 -1.72 0.00 0.00 179.24 177.34 1pg3 s VAL 595 N -3.11 -0.12 -0.23 -1.35 1.01 -0.69 -5.00 120.40 110.91 1pg3 s VAL 595 Ca 0.05 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 1pg3 s VAL 595 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1pg3 s VAL 595 CO 0.71 0.10 0.02 -0.76 0.00 0.00 0.00 175.10 175.18 1pg3 s LEU 596 N 1.56 3.26 -0.39 3.92 1.43 -1.26 -0.46 118.68 126.75 1pg3 s LEU 596 Ca -0.05 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1pg3 s LEU 596 Cb -0.12 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.36 1pg3 s LEU 596 CO -0.06 -0.00 0.15 -2.28 0.23 0.00 0.00 176.35 174.40 1pg3 s HIS 597 N 1.40 3.64 0.22 0.29 2.46 -0.02 -4.99 115.29 118.29 1pg3 s HIS 597 Ca 0.05 -2.59 -0.30 0.00 0.47 0.00 0.00 55.06 52.69 1pg3 s HIS 597 Cb -0.15 -3.12 -0.09 0.00 -0.13 0.00 0.00 32.58 29.09 1pg3 s HIS 597 CO 0.01 -0.96 1.36 -1.58 -2.47 0.00 0.00 174.74 171.10 1pg3 s TRP 598 N 1.07 3.17 0.08 3.88 0.52 -1.26 -1.12 118.94 125.28 1pg3 s TRP 598 Ca 0.09 1.14 -0.27 0.00 0.02 0.00 0.00 56.10 57.09 1pg3 s TRP 598 Cb -0.22 -3.69 0.08 0.00 -1.15 0.00 0.00 33.47 28.50 1pg3 s TRP 598 CO -0.05 -2.19 0.91 -0.08 0.02 0.00 0.00 176.95 175.56 1pg3 s THR 599 N 0.08 0.00 0.00 2.01 -1.32 -0.72 -4.90 115.64 110.79 1pg3 s THR 599 Ca 0.58 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1pg3 s THR 599 Cb -0.39 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1pg3 s THR 599 CO 0.40 0.00 0.71 0.47 -2.21 0.00 0.00 174.62 173.99 1pg3 n ASP 600 N -0.37 0.98 -2.72 8.08 8.00 -1.26 -3.75 116.55 125.51 1pg3 n ASP 600 Ca -0.08 -1.47 -0.34 0.00 0.71 0.00 0.00 54.79 53.62 1pg3 n ASP 600 Cb 0.61 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1pg3 n ASP 600 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pg3 n SER 601 N -0.23 6.18 -4.68 -2.24 7.64 -1.26 -5.03 113.62 114.00 1pg3 n SER 601 Ca 0.00 -3.78 -0.42 0.00 1.01 0.00 0.00 58.87 55.68 1pg3 n SER 601 Cb 0.35 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 1pg3 n SER 601 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pg3 s LEU 602 N -3.82 4.26 0.22 -3.43 1.43 -1.26 -4.79 118.68 111.29 1pg3 s LEU 602 Ca 0.50 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 1pg3 s LEU 602 Cb 0.42 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 1pg3 s LEU 602 CO -0.31 -0.69 1.48 -2.16 0.23 0.00 0.00 176.35 174.91 1pg3 s PRO 603 N 2.75 4.24 0.06 1.29 0.04 -1.26 -5.01 135.00 137.11 1pg3 s PRO 603 Ca 0.58 2.33 -0.06 0.00 0.04 0.00 0.00 61.00 63.89 1pg3 s PRO 603 Cb -0.26 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1pg3 s PRO 603 CO 0.21 -0.49 0.10 0.15 0.04 0.00 0.00 177.00 177.01 1pg3 s LYS 604 N 0.11 0.69 0.72 4.56 1.02 -1.26 -2.36 119.74 123.23 1pg3 s LYS 604 Ca 0.63 -0.95 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 1pg3 s LYS 604 Cb -0.43 0.27 0.05 0.00 -0.52 0.00 0.00 37.83 37.20 1pg3 s LYS 604 CO 0.40 -0.18 1.08 0.95 -0.92 0.00 0.00 175.35 176.67 1pg3 s THR 605 N -3.43 2.74 0.54 2.17 -4.23 -0.03 -0.63 115.64 112.77 1pg3 s THR 605 Ca 0.02 0.08 0.42 0.00 -1.18 0.00 0.00 61.69 61.03 1pg3 s THR 605 Cb 0.04 -3.20 0.43 0.00 1.34 0.00 0.00 72.50 71.11 1pg3 s THR 605 CO -0.08 -0.25 2.29 0.03 -0.54 0.00 0.00 174.62 176.07 1pg3 h ARG 606 N -0.71 0.00 0.00 3.99 3.08 -1.87 0.18 114.38 119.06 1pg3 h ARG 606 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1pg3 h ARG 606 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1pg3 h ARG 606 CO 0.63 0.00 0.00 1.03 -1.07 0.00 0.00 179.97 180.56 1pg3 h SER 607 N 0.00 0.00 0.00 7.04 0.87 -1.94 -3.47 113.55 116.05 1pg3 h SER 607 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pg3 h SER 607 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1pg3 h SER 607 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1pg3 n GLY 608 N 0.98 0.69 3.78 5.77 0.00 0.65 -5.09 105.19 111.96 1pg3 n GLY 608 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1pg3 n GLY 608 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg3 s LYS 609 N -0.74 4.39 0.38 1.61 3.01 -1.26 -4.70 119.74 122.42 1pg3 s LYS 609 Ca 0.00 1.48 -0.26 0.00 -1.01 0.00 0.00 55.97 56.18 1pg3 s LYS 609 Cb 0.00 -2.72 -0.09 0.00 -1.01 0.00 0.00 37.83 34.01 1pg3 s LYS 609 CO 0.00 0.07 1.15 0.42 0.51 0.00 0.00 175.35 177.50 1pg3 s ILE 610 N -1.58 3.24 -0.40 2.17 -1.09 -1.26 -0.85 121.20 121.42 1pg3 s ILE 610 Ca 0.53 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1pg3 s ILE 610 Cb -0.22 -3.61 0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1pg3 s ILE 610 CO 0.28 0.12 0.13 -0.04 -1.23 0.00 0.00 174.94 174.19 1pg3 s MET 611 N -2.18 1.68 0.29 2.79 1.00 -1.00 -4.87 119.30 117.00 1pg3 s MET 611 Ca 0.55 -2.07 0.20 0.00 0.00 0.00 0.00 55.69 54.36 1pg3 s MET 611 Cb -0.30 -3.28 0.12 0.00 0.00 0.00 0.00 34.83 31.36 1pg3 s MET 611 CO 0.38 -1.00 1.33 0.00 0.00 0.00 0.00 175.02 175.73 1pg3 h ARG 612 N 7.36 0.00 -0.19 2.03 3.08 -1.95 -3.35 114.38 121.37 1pg3 h ARG 612 Ca -0.06 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1pg3 h ARG 612 Cb 0.99 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 1pg3 h ARG 612 CO 0.58 0.19 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.35 1pg3 h ARG 613 N 0.00 -0.25 -0.62 0.04 2.43 -1.99 0.52 114.38 114.51 1pg3 h ARG 613 Ca -0.02 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1pg3 h ARG 613 Cb 1.20 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1pg3 h ARG 613 CO 0.03 -0.17 0.10 -0.84 -1.51 0.00 0.00 179.97 177.58 1pg3 h ILE 614 N -0.26 1.25 -0.79 1.20 3.07 -1.97 -1.98 117.51 118.04 1pg3 h ILE 614 Ca 0.12 -0.99 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 1pg3 h ILE 614 Cb 0.44 0.67 -0.04 0.00 -0.27 0.00 0.00 36.82 37.62 1pg3 h ILE 614 CO -0.34 0.37 0.46 -0.07 -1.05 0.00 0.00 178.15 177.52 1pg3 h LEU 615 N 0.95 0.95 -0.71 0.16 3.38 -1.40 -0.24 115.31 118.41 1pg3 h LEU 615 Ca 0.19 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1pg3 h LEU 615 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1pg3 h LEU 615 CO 0.01 0.74 -0.38 -0.09 0.09 0.00 0.00 178.44 178.81 1pg3 h ARG 616 N 1.09 0.55 -0.01 1.13 2.43 0.40 -2.23 114.38 117.74 1pg3 h ARG 616 Ca 0.28 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1pg3 h ARG 616 Cb -0.03 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1pg3 h ARG 616 CO -0.05 0.85 -0.02 0.87 -1.51 0.00 0.00 179.97 180.11 1pg3 h LYS 617 N 0.46 0.04 -0.26 0.20 1.57 -0.71 -2.52 116.57 115.36 1pg3 h LYS 617 Ca 0.04 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1pg3 h LYS 617 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1pg3 h LYS 617 CO 0.07 0.57 0.08 0.82 -0.57 0.00 0.00 179.45 180.42 1pg3 h ILE 618 N -0.48 0.92 -0.43 1.86 2.04 -1.08 -1.44 117.51 118.90 1pg3 h ILE 618 Ca 0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1pg3 h ILE 618 Cb 0.56 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1pg3 h ILE 618 CO 0.01 0.04 0.22 0.00 0.00 0.00 0.00 178.15 178.41 1pg3 h ALA 619 N 1.16 0.54 -0.01 1.87 0.00 -1.47 -1.38 119.26 119.98 1pg3 h ALA 619 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pg3 h ALA 619 Cb 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pg3 h ALA 619 CO -0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 179.25 179.00 1pg3 h ALA 620 N 1.23 1.97 0.00 0.00 0.00 -1.13 -3.46 119.26 117.87 1pg3 h ALA 620 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pg3 h ALA 620 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pg3 h ALA 620 CO -0.13 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1pg3 n GLY 621 N -1.51 1.01 0.00 0.00 0.00 -0.52 -4.91 105.19 99.26 1pg3 n GLY 621 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pg3 n GLY 621 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg3 n ASP 622 N 0.00 0.00 0.00 1.61 5.75 -0.62 -5.01 116.55 118.28 1pg3 n ASP 622 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1pg3 n ASP 622 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1pg3 n ASP 622 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pg3 n GLY 627 N 5.00 0.74 2.38 6.12 0.00 -1.26 -4.61 105.19 113.56 1pg3 n GLY 627 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1pg3 n GLY 627 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg3 n ASP 628 N 0.00 3.99 0.05 1.61 3.85 -1.26 -4.82 116.55 119.96 1pg3 n ASP 628 Ca 0.00 -3.39 -0.22 0.00 -0.71 0.00 0.00 54.79 50.47 1pg3 n ASP 628 Cb 0.00 -0.43 -0.14 0.00 -1.35 0.00 0.00 41.12 39.20 1pg3 n ASP 628 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1pg3 h THR 629 N 2.86 1.12 0.00 2.12 2.02 -1.98 -3.35 112.91 115.70 1pg3 h THR 629 Ca 0.22 -2.49 -0.00 0.00 0.77 0.00 0.00 66.41 64.91 1pg3 h THR 629 Cb 1.22 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.49 1pg3 h THR 629 CO 0.69 0.76 -0.00 0.77 0.37 0.00 0.00 175.52 178.10 1pg3 h SER 630 N -0.16 0.00 1.38 4.18 4.64 -1.97 -1.48 113.55 120.13 1pg3 h SER 630 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1pg3 h SER 630 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1pg3 h SER 630 CO 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1pg3 h THR 631 N 0.00 0.00 -3.99 2.95 1.03 -1.95 -3.46 112.91 107.50 1pg3 h THR 631 Ca -0.00 -0.55 -0.48 0.00 -0.01 0.00 0.00 66.41 65.37 1pg3 h THR 631 Cb 0.01 1.49 0.03 0.00 -1.07 0.00 0.00 68.15 68.61 1pg3 h THR 631 CO 0.00 0.00 0.42 -0.76 -0.01 0.00 0.00 175.52 175.17 1pg3 s LEU 632 N -5.12 4.06 0.57 0.00 1.43 -0.56 -4.13 118.68 114.93 1pg3 s LEU 632 Ca 0.07 2.07 0.34 0.00 -1.03 0.00 0.00 54.13 55.58 1pg3 s LEU 632 Cb 0.10 -4.27 1.70 0.00 0.03 0.00 0.00 46.19 43.74 1pg3 s LEU 632 CO 0.56 -0.63 2.13 0.00 0.23 0.00 0.00 176.35 178.64 1pg3 h ALA 633 N 2.23 1.13 -1.83 4.21 0.00 -1.07 -3.35 119.26 120.57 1pg3 h ALA 633 Ca -0.49 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.04 1pg3 h ALA 633 Cb 1.22 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 1pg3 h ALA 633 CO 0.61 0.07 -0.66 0.34 0.00 0.00 0.00 179.25 179.61 1pg3 s ASP 634 N -5.76 0.82 0.00 0.00 2.15 -1.26 -4.97 116.67 107.66 1pg3 s ASP 634 Ca -0.02 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1pg3 s ASP 634 Cb 0.12 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.47 1pg3 s ASP 634 CO 0.53 -0.24 0.80 -0.81 -0.17 0.00 0.00 175.17 175.27 1pg3 n PRO 635 N 4.21 0.00 0.21 4.34 -0.06 -1.26 -2.40 135.00 140.05 1pg3 n PRO 635 Ca 0.12 0.30 0.14 0.00 -0.06 0.00 0.00 63.50 63.99 1pg3 n PRO 635 Cb 0.47 -1.50 0.42 0.00 -0.06 0.00 0.00 33.50 32.83 1pg3 n PRO 635 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 175.50 176.22 1pg3 h GLY 636 N 0.01 0.00 2.00 0.55 0.00 -1.94 -3.19 103.07 100.51 1pg3 h GLY 636 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1pg3 h GLY 636 CO 0.00 0.00 -0.36 -0.39 0.00 0.00 0.00 176.54 175.79 1pg3 h VAL 637 N 0.00 1.15 0.08 4.60 -1.51 -1.78 -3.15 116.25 115.64 1pg3 h VAL 637 Ca 0.00 -1.27 0.02 0.00 -1.23 0.00 0.00 66.70 64.22 1pg3 h VAL 637 Cb 0.72 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.55 1pg3 h VAL 637 CO 0.00 0.35 -0.24 0.58 -1.23 0.00 0.00 177.57 177.03 1pg3 h VAL 638 N 0.00 0.46 -0.72 7.19 2.07 -1.80 0.31 116.25 123.77 1pg3 h VAL 638 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1pg3 h VAL 638 Cb 0.68 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1pg3 h VAL 638 CO 0.05 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.60 1pg3 h GLU 639 N -0.42 1.07 -0.42 1.57 3.07 -1.76 -1.83 114.58 115.86 1pg3 h GLU 639 Ca 0.04 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 1pg3 h GLU 639 Cb 0.46 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1pg3 h GLU 639 CO -0.16 0.87 0.05 1.57 -1.40 0.00 0.00 179.01 179.94 1pg3 h LYS 640 N 1.02 0.70 -0.19 2.33 2.10 -1.45 -2.46 116.57 118.63 1pg3 h LYS 640 Ca 0.24 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 1pg3 h LYS 640 Cb 0.20 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1pg3 h LYS 640 CO -0.02 0.75 -0.01 -0.07 -2.00 0.00 0.00 179.45 178.10 1pg3 h LEU 641 N 0.55 0.25 0.52 7.07 3.38 -0.20 -1.80 115.31 125.08 1pg3 h LEU 641 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1pg3 h LEU 641 Cb 0.40 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pg3 h LEU 641 CO 0.01 0.30 -0.25 -0.07 0.09 0.00 0.00 178.44 178.53 1pg3 h LEU 642 N 0.27 -0.59 -0.55 1.67 3.38 -1.01 -1.31 115.31 117.18 1pg3 h LEU 642 Ca 0.06 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1pg3 h LEU 642 Cb 0.20 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1pg3 h LEU 642 CO 0.00 -0.26 0.11 -0.33 0.09 0.00 0.00 178.44 178.05 1pg3 h GLU 643 N -0.94 0.23 -0.70 1.13 5.08 -1.23 0.25 114.58 118.40 1pg3 h GLU 643 Ca -0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1pg3 h GLU 643 Cb 0.61 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1pg3 h GLU 643 CO 0.12 0.15 0.44 0.93 -1.00 0.00 0.00 179.01 179.65 1pg3 h GLU 644 N 0.24 0.85 0.00 2.33 5.08 -1.33 -1.28 114.58 120.47 1pg3 h GLU 644 Ca 0.28 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1pg3 h GLU 644 Cb 0.40 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1pg3 h GLU 644 CO -0.37 0.56 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.72 1pg3 h LYS 645 N 0.88 0.00 0.00 2.33 1.63 0.13 -2.13 116.57 119.40 1pg3 h LYS 645 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1pg3 h LYS 645 Cb -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1pg3 h LYS 645 CO -0.10 0.26 0.00 0.94 -3.45 0.00 0.00 179.45 177.10 1pg3 n GLN 646 N -4.12 0.81 0.00 1.90 7.27 0.70 -5.08 117.38 118.86 1pg3 n GLN 646 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.12 1pg3 n GLN 646 Cb 0.32 -1.45 0.06 0.00 2.41 0.00 0.00 30.24 31.58 1pg3 n GLN 646 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13