#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 2.52 0.15 1.57 2.20 -1.26 -4.56 119.74 120.36 1pg3 s LYS 6 Ca 0.00 -1.18 -0.31 0.00 -0.36 0.00 0.00 55.97 54.12 1pg3 s LYS 6 Cb 0.00 -2.98 -0.08 0.00 -1.51 0.00 0.00 37.83 33.26 1pg3 s LYS 6 CO 0.00 -0.51 1.35 -1.01 -0.36 0.00 0.00 175.35 174.82 1pg3 s HIS 7 N 1.22 3.25 0.48 4.03 3.76 0.84 -4.86 115.29 124.00 1pg3 s HIS 7 Ca -0.04 1.08 -0.10 0.00 -0.15 0.00 0.00 55.06 55.85 1pg3 s HIS 7 Cb -0.18 -3.64 -0.05 0.00 1.11 0.00 0.00 32.58 29.81 1pg3 s HIS 7 CO -0.04 -2.14 0.85 0.00 -0.85 0.00 0.00 174.74 172.56 1pg3 s ALA 8 N 0.65 3.28 -0.18 -1.40 0.00 -1.26 -1.76 121.76 121.09 1pg3 s ALA 8 Ca 0.61 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1pg3 s ALA 8 Cb -0.37 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1pg3 s ALA 8 CO 0.34 -0.25 1.20 0.42 0.00 0.00 0.00 175.76 177.47 1pg3 s ILE 9 N -2.64 4.39 0.67 0.00 1.01 -1.26 -4.89 121.20 118.48 1pg3 s ILE 9 Ca 0.52 1.68 -0.17 0.00 0.00 0.00 0.00 60.65 62.67 1pg3 s ILE 9 Cb -0.10 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 1pg3 s ILE 9 CO 0.39 -0.14 1.20 -2.65 0.00 0.00 0.00 174.94 173.74 1pg3 n PRO 10 N 6.48 0.90 -0.02 2.79 -0.02 -1.26 -4.83 135.00 139.04 1pg3 n PRO 10 Ca 0.13 0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1pg3 n PRO 10 Cb 0.45 -2.44 0.22 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.25 1.17 -0.35 3.55 0.00 -1.98 -1.04 119.26 120.85 1pg3 h ALA 11 Ca -0.50 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1pg3 h ALA 11 Cb 1.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1pg3 h ALA 11 CO 0.51 0.53 -0.16 -2.95 0.00 0.00 0.00 179.25 177.18 1pg3 h ASN 12 N 0.51 0.63 0.81 0.00 -1.07 -1.97 -1.13 115.58 113.36 1pg3 h ASN 12 Ca 0.09 -0.19 -0.20 0.00 0.07 0.00 0.00 56.30 56.07 1pg3 h ASN 12 Cb 0.54 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.60 1pg3 h ASN 12 CO 0.03 0.81 -0.92 0.40 0.07 0.00 0.00 177.43 177.82 1pg3 h ILE 13 N 0.57 1.60 0.00 6.14 1.08 -1.88 -3.22 117.51 121.80 1pg3 h ILE 13 Ca 0.09 -2.97 -0.07 0.00 -0.39 0.00 0.00 64.86 61.52 1pg3 h ILE 13 Cb 0.60 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1pg3 h ILE 13 CO 0.04 0.85 -0.32 0.00 -0.69 0.00 0.00 178.15 178.04 1pg3 h ALA 14 N 1.03 0.97 0.00 1.87 0.00 -0.82 -0.34 119.26 121.97 1pg3 h ALA 14 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pg3 h ALA 14 Cb 1.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1pg3 h ALA 14 CO 0.13 0.40 -0.04 -0.25 0.00 0.00 0.00 179.25 179.49 1pg3 n ASP 15 N -3.42 0.67 0.00 0.00 8.00 -0.46 -4.20 116.55 117.14 1pg3 n ASP 15 Ca 0.00 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1pg3 n ASP 15 Cb 0.50 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1pg3 n ASP 15 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pg3 n ARG 16 N -2.12 1.55 -1.64 -1.24 1.85 -1.18 -5.10 116.66 108.79 1pg3 n ARG 16 Ca 0.06 -0.06 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1pg3 n ARG 16 Cb 0.42 -0.34 -0.01 0.00 -1.05 0.00 0.00 32.46 31.48 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 2.15 0.00 -7.47 0.00 3.38 -1.91 -3.43 115.31 108.04 1pg3 h LEU 18 Ca -0.43 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.11 1pg3 h LEU 18 Cb 1.32 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.68 1pg3 h LEU 18 CO 0.61 0.57 -0.77 -0.63 0.09 0.00 0.00 178.44 178.31 1pg3 s ILE 19 N -3.46 0.35 0.60 1.22 1.01 -1.26 -5.10 121.20 114.56 1pg3 s ILE 19 Ca -0.00 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.82 1pg3 s ILE 19 Cb 0.11 -0.52 0.08 0.00 0.01 0.00 0.00 42.46 42.14 1pg3 s ILE 19 CO 0.74 0.26 0.83 0.54 0.00 0.00 0.00 174.94 177.31 1pg3 s ASN 20 N 1.98 4.96 0.23 3.58 2.20 -1.26 -3.32 114.94 123.31 1pg3 s ASN 20 Ca 0.05 -0.41 -0.07 0.00 -0.94 0.00 0.00 52.86 51.50 1pg3 s ASN 20 Cb -0.12 -0.24 0.37 0.00 -2.00 0.00 0.00 41.25 39.26 1pg3 s ASN 20 CO -0.05 -1.39 1.74 -0.65 -2.94 0.00 0.00 177.10 173.81 1pg3 h PRO 21 N -0.03 0.43 -0.44 3.55 0.11 -1.68 -0.78 132.00 133.16 1pg3 h PRO 21 Ca -0.37 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1pg3 h PRO 21 Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1pg3 h PRO 21 CO 0.44 0.29 0.17 0.93 -0.21 0.00 0.00 178.00 179.62 1pg3 h GLU 22 N 0.45 0.66 -0.18 1.05 3.07 -1.94 -2.70 114.58 114.99 1pg3 h GLU 22 Ca 0.36 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1pg3 h GLU 22 Cb 0.50 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1pg3 h GLU 22 CO -0.35 0.61 -0.27 1.96 -1.40 0.00 0.00 179.01 179.56 1pg3 h GLN 23 N 0.56 0.33 0.41 2.33 4.20 -1.82 -2.51 115.11 118.61 1pg3 h GLN 23 Ca 0.15 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1pg3 h GLN 23 Cb 0.20 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1pg3 h GLN 23 CO -0.01 0.58 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.61 1pg3 h TYR 24 N 0.29 -0.51 -0.40 2.96 3.20 -0.93 -1.03 116.97 120.55 1pg3 h TYR 24 Ca 0.04 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1pg3 h TYR 24 Cb 0.63 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.99 1pg3 h TYR 24 CO 0.01 -0.26 -0.12 0.93 -1.64 0.00 0.00 178.16 177.08 1pg3 h GLU 25 N -0.65 -0.03 0.82 1.82 4.39 -1.42 0.45 114.58 119.97 1pg3 h GLU 25 Ca -0.06 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1pg3 h GLU 25 Cb 0.48 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1pg3 h GLU 25 CO 0.09 -0.02 -0.40 1.15 -1.16 0.00 0.00 179.01 178.68 1pg3 h THR 26 N -0.03 0.04 -0.92 1.13 2.02 -1.38 -1.59 112.91 112.18 1pg3 h THR 26 Ca 0.20 -0.17 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1pg3 h THR 26 Cb 0.33 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 66.71 1pg3 h THR 26 CO -0.43 0.00 0.55 0.11 0.37 0.00 0.00 175.52 176.12 1pg3 h LYS 27 N -1.27 0.85 -0.29 6.66 1.57 -1.13 -1.42 116.57 121.54 1pg3 h LYS 27 Ca -0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pg3 h LYS 27 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1pg3 h LYS 27 CO 0.19 0.56 0.19 -0.92 -0.57 0.00 0.00 179.45 178.90 1pg3 h TYR 28 N 0.87 0.37 -0.73 -1.35 3.20 -0.85 -0.05 116.97 118.42 1pg3 h TYR 28 Ca 0.46 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.38 1pg3 h TYR 28 Cb 0.46 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1pg3 h TYR 28 CO -0.03 0.23 0.45 -0.22 -1.64 0.00 0.00 178.16 176.95 1pg3 h LYS 29 N 0.39 0.83 -0.16 1.82 3.64 -0.29 -2.15 116.57 120.66 1pg3 h LYS 29 Ca 0.11 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1pg3 h LYS 29 Cb -0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1pg3 h LYS 29 CO -0.02 0.55 -0.54 0.37 -2.27 0.00 0.00 179.45 177.54 1pg3 h GLN 30 N 0.86 0.47 0.00 1.90 4.15 -0.94 -0.47 115.11 121.08 1pg3 h GLN 30 Ca 0.31 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1pg3 h GLN 30 Cb 0.08 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1pg3 h GLN 30 CO -0.13 0.89 -0.07 0.66 -1.93 0.00 0.00 178.83 178.24 1pg3 h SER 31 N 0.37 0.00 0.03 -0.69 4.64 -0.56 0.22 113.55 117.56 1pg3 h SER 31 Ca 0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.99 1pg3 h SER 31 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1pg3 h SER 31 CO 0.10 0.07 -1.88 -0.38 -0.87 0.00 0.00 176.83 173.87 1pg3 n ILE 32 N -3.34 1.59 0.08 0.95 2.08 -0.85 -3.53 119.36 116.34 1pg3 n ILE 32 Ca -0.01 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 62.86 1pg3 n ILE 32 Cb 0.25 -1.85 -0.05 0.00 -0.75 0.00 0.00 39.64 37.23 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 -0.61 0.29 -1.91 4.38 2.35 -1.05 -3.39 115.58 115.64 1pg3 h ASN 33 Ca -0.48 -0.26 -0.51 0.00 -0.55 0.00 0.00 56.30 54.50 1pg3 h ASN 33 Cb 1.63 -0.09 -0.38 0.00 0.05 0.00 0.00 38.32 39.53 1pg3 h ASN 33 CO -0.17 1.10 -1.12 -0.67 -1.65 0.00 0.00 177.43 174.92 1pg3 n ASP 34 N -3.60 0.31 0.14 5.81 2.03 0.77 -4.97 116.55 117.04 1pg3 n ASP 34 Ca -0.04 -2.85 0.18 0.00 0.52 0.00 0.00 54.79 52.59 1pg3 n ASP 34 Cb 0.87 -0.52 0.76 0.00 -0.72 0.00 0.00 41.12 41.51 1pg3 n ASP 34 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pg3 h PRO 35 N 3.58 0.00 -0.43 -0.67 0.13 -1.59 -1.74 132.00 131.28 1pg3 h PRO 35 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1pg3 h PRO 35 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1pg3 h PRO 35 CO 0.47 0.00 -0.21 -0.44 -0.23 0.00 0.00 178.00 177.59 1pg3 h ASP 36 N 0.00 0.86 -0.01 1.44 3.32 -1.90 0.18 116.42 120.31 1pg3 h ASP 36 Ca 0.14 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1pg3 h ASP 36 Cb 0.67 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1pg3 h ASP 36 CO -0.00 1.04 -0.20 0.74 -1.72 0.00 0.00 179.24 179.10 1pg3 h THR 37 N 0.74 1.53 0.75 0.35 2.02 -1.70 -1.38 112.91 115.22 1pg3 h THR 37 Ca 0.10 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 1pg3 h THR 37 Cb 0.74 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1pg3 h THR 37 CO 0.06 0.50 -0.44 0.15 0.37 0.00 0.00 175.52 176.17 1pg3 h PHE 38 N -0.50 -1.15 0.00 3.16 3.57 -1.32 -1.87 116.94 118.82 1pg3 h PHE 38 Ca -0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1pg3 h PHE 38 Cb 0.93 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1pg3 h PHE 38 CO 0.17 -0.66 -0.12 -1.49 -2.23 0.00 0.00 178.31 173.98 1pg3 h TRP 39 N -1.10 0.00 -0.50 0.41 4.06 -0.80 -0.46 115.95 117.56 1pg3 h TRP 39 Ca -0.10 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.75 1pg3 h TRP 39 Cb 0.87 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1pg3 h TRP 39 CO -0.06 0.12 -0.09 0.78 -3.56 0.00 0.00 178.44 175.64 1pg3 h GLY 40 N 1.51 1.03 1.13 1.49 0.00 -1.04 -0.95 103.07 106.24 1pg3 h GLY 40 Ca -0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 47.33 46.22 1pg3 h GLY 40 CO 0.02 0.75 -1.24 0.83 0.00 0.00 0.00 176.54 176.90 1pg3 h GLU 41 N 0.81 0.54 0.00 4.80 5.08 -0.92 -3.33 114.58 121.56 1pg3 h GLU 41 Ca 0.13 -0.81 -0.03 0.00 -1.00 0.00 0.00 59.36 57.65 1pg3 h GLU 41 Cb 0.64 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1pg3 h GLU 41 CO 0.04 1.37 -0.15 0.37 -1.00 0.00 0.00 179.01 179.65 1pg3 h GLN 42 N 0.11 0.00 0.00 2.33 5.75 -1.09 -2.90 115.11 119.31 1pg3 h GLN 42 Ca -0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1pg3 h GLN 42 Cb 1.94 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.49 1pg3 h GLN 42 CO 0.23 0.15 0.00 0.41 -2.65 0.00 0.00 178.83 176.97 1pg3 n GLY 43 N 0.11 -0.93 0.00 2.39 0.00 -0.37 -2.24 105.19 104.16 1pg3 n GLY 43 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.37 0.96 0.22 1.61 4.76 -1.10 -2.88 118.16 120.35 1pg3 n LYS 44 Ca 0.06 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.65 1pg3 n LYS 44 Cb 0.16 -1.46 0.63 0.00 -1.84 0.00 0.00 35.03 32.51 1pg3 n LYS 44 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1pg3 h ILE 45 N 0.00 0.00 -2.39 -0.18 2.10 -1.69 -3.42 117.51 111.93 1pg3 h ILE 45 Ca 0.00 -0.38 -0.54 0.00 1.08 0.00 0.00 64.86 65.02 1pg3 h ILE 45 Cb 0.00 1.26 -0.07 0.00 -1.09 0.00 0.00 36.82 36.92 1pg3 h ILE 45 CO 0.00 0.00 -0.57 -0.76 -1.08 0.00 0.00 178.15 175.74 1pg3 s LEU 46 N -5.47 3.66 -0.08 2.19 1.43 -1.14 -5.00 118.68 114.27 1pg3 s LEU 46 Ca 0.02 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1pg3 s LEU 46 Cb 0.09 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1pg3 s LEU 46 CO 0.47 0.01 0.61 -1.81 0.23 0.00 0.00 176.35 175.86 1pg3 s ASP 47 N -3.54 6.88 -0.13 2.29 -0.00 -1.26 -5.05 116.67 115.85 1pg3 s ASP 47 Ca 0.32 1.05 -0.01 0.00 -0.00 0.00 0.00 52.55 53.90 1pg3 s ASP 47 Cb -0.08 -2.36 -0.02 0.00 -0.00 0.00 0.00 42.92 40.45 1pg3 s ASP 47 CO 0.23 -0.06 -0.09 0.26 -0.00 0.00 0.00 175.17 175.51 1pg3 s TRP 48 N 0.67 2.90 0.21 4.23 0.52 -1.26 -4.64 118.94 121.58 1pg3 s TRP 48 Ca 0.33 -0.45 -0.05 0.00 0.02 0.00 0.00 56.10 55.95 1pg3 s TRP 48 Cb -0.17 -1.88 0.18 0.00 -1.15 0.00 0.00 33.47 30.45 1pg3 s TRP 48 CO 0.15 -0.10 1.63 0.82 0.02 0.00 0.00 176.95 179.47 1pg3 h ILE 49 N 5.21 1.27 -3.47 2.03 2.04 -1.08 -3.41 117.51 120.09 1pg3 h ILE 49 Ca -0.29 -1.33 -0.36 0.00 1.00 0.00 0.00 64.86 63.87 1pg3 h ILE 49 Cb 1.20 1.19 -0.34 0.00 -0.74 0.00 0.00 36.82 38.13 1pg3 h ILE 49 CO 0.58 0.45 -0.75 0.42 0.00 0.00 0.00 178.15 178.84 1pg3 s THR 50 N -4.63 0.26 0.78 -0.27 -4.23 -0.94 -4.96 115.64 101.65 1pg3 s THR 50 Ca -0.09 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 1pg3 s THR 50 Cb 0.13 -0.35 0.07 0.00 1.34 0.00 0.00 72.50 73.69 1pg3 s THR 50 CO 0.84 0.17 1.18 -2.16 -0.54 0.00 0.00 174.62 174.11 1pg3 s PRO 51 N 1.09 1.88 0.50 3.99 0.04 -1.26 -1.85 135.00 139.38 1pg3 s PRO 51 Ca -0.09 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1pg3 s PRO 51 Cb -0.14 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1pg3 s PRO 51 CO -0.02 -2.01 0.73 1.52 0.04 0.00 0.00 177.00 177.26 1pg3 s TYR 52 N -2.21 3.09 0.00 0.56 -0.85 -1.26 -4.18 117.35 112.50 1pg3 s TYR 52 Ca 0.72 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 57.44 1pg3 s TYR 52 Cb -0.27 -2.51 0.00 0.00 0.38 0.00 0.00 41.96 39.56 1pg3 s TYR 52 CO 0.49 -0.59 0.00 0.94 -1.52 0.00 0.00 175.55 174.87 1pg3 n GLN 53 N -2.22 0.00 -2.44 -3.49 -0.06 -1.26 -4.92 117.38 102.99 1pg3 n GLN 53 Ca 0.04 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.66 1pg3 n GLN 53 Cb 0.58 -0.07 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 1pg3 n GLN 53 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1pg3 s LYS 54 N -0.97 4.16 0.00 3.69 3.01 -1.26 -4.99 119.74 123.38 1pg3 s LYS 54 Ca 0.00 1.67 0.00 0.00 -1.01 0.00 0.00 55.97 56.63 1pg3 s LYS 54 Cb 0.00 -2.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.16 1pg3 s LYS 54 CO 0.00 -0.18 0.00 0.28 0.51 0.00 0.00 175.35 175.96 1pg3 n VAL 55 N 0.11 0.00 -3.57 3.17 0.31 -1.26 -3.29 118.33 113.79 1pg3 n VAL 55 Ca 0.04 0.15 -0.37 0.00 -0.01 0.00 0.00 64.34 64.15 1pg3 n VAL 55 Cb 0.48 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.53 4.07 -0.43 5.55 2.20 -1.26 -1.45 119.74 127.88 1pg3 s LYS 56 Ca 0.00 -0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 1pg3 s LYS 56 Cb 0.00 -3.57 0.19 0.00 -1.51 0.00 0.00 37.83 32.94 1pg3 s LYS 56 CO 0.00 -0.03 0.48 -1.71 -0.36 0.00 0.00 175.35 173.73 1pg3 n ASN 57 N 4.55 -1.03 -4.34 1.43 5.15 -0.85 -5.04 115.26 115.13 1pg3 n ASN 57 Ca -0.13 -2.59 -0.18 0.00 -0.60 0.00 0.00 54.58 51.09 1pg3 n ASN 57 Cb 0.52 -0.02 -0.10 0.00 -0.53 0.00 0.00 39.78 39.64 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 -0.01 1.32 -0.24 -0.44 -4.23 -1.26 -2.16 115.64 108.63 1pg3 s THR 58 Ca 0.33 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 1pg3 s THR 58 Cb 0.07 -2.23 0.07 0.00 1.34 0.00 0.00 72.50 71.75 1pg3 s THR 58 CO -0.16 -0.44 0.62 -0.55 -0.54 0.00 0.00 174.62 173.54 1pg3 s SER 59 N -3.32 -0.72 -0.17 3.99 0.15 0.16 -4.96 113.70 108.83 1pg3 s SER 59 Ca 0.25 1.29 0.16 0.00 0.70 0.00 0.00 55.95 58.35 1pg3 s SER 59 Cb 0.04 1.24 0.56 0.00 -1.71 0.00 0.00 66.02 66.14 1pg3 s SER 59 CO 0.08 -0.22 1.46 0.49 1.20 0.00 0.00 173.24 176.24 1pg3 n PHE 60 N 3.41 1.07 -1.67 3.44 0.99 -1.26 -1.16 117.46 122.28 1pg3 n PHE 60 Ca -0.17 -0.83 -0.44 0.00 -0.00 0.00 0.00 57.45 56.02 1pg3 n PHE 60 Cb 0.57 -0.32 -0.01 0.00 -1.00 0.00 0.00 39.48 38.71 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 -0.27 0.96 -1.62 4.37 0.00 -1.25 -3.63 120.51 119.07 1pg3 n ALA 61 Ca 0.22 0.38 -0.50 0.00 0.00 0.00 0.00 53.44 53.54 1pg3 n ALA 61 Cb 0.90 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 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 1.07 1.53 -1.07 0.00 -0.02 -1.26 -0.54 135.00 134.70 1pg3 n PRO 62 Ca 0.08 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1pg3 n PRO 62 Cb 0.34 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.88 0.51 2.56 -1.23 0.00 -1.26 -4.77 105.19 103.87 1pg3 n GLY 63 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.69 -0.22 -4.73 1.61 3.02 0.30 -5.11 115.26 109.45 1pg3 n ASN 64 Ca -0.05 -2.91 -0.41 0.00 -0.03 0.00 0.00 54.58 51.18 1pg3 n ASN 64 Cb 0.49 0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.52 4.65 -0.07 2.41 1.01 -1.14 -3.92 120.40 121.83 1pg3 s VAL 65 Ca 0.28 1.97 -0.03 0.00 0.00 0.00 0.00 61.98 64.20 1pg3 s VAL 65 Cb 0.39 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1pg3 s VAL 65 CO -0.04 0.28 0.13 -0.55 0.00 0.00 0.00 175.10 174.93 1pg3 s SER 66 N 0.27 0.48 -0.18 3.32 0.15 -0.31 -4.99 113.70 112.44 1pg3 s SER 66 Ca 0.46 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 1pg3 s SER 66 Cb -0.22 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1pg3 s SER 66 CO 0.28 -0.21 -0.02 -0.63 1.20 0.00 0.00 173.24 173.86 1pg3 s ILE 67 N 1.84 0.98 -0.00 6.45 1.01 -1.26 0.39 121.20 130.61 1pg3 s ILE 67 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1pg3 s ILE 67 Cb -0.12 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1pg3 s ILE 67 CO -0.05 -0.01 -0.05 -0.54 0.00 0.00 0.00 174.94 174.29 1pg3 s LYS 68 N 1.67 0.39 -0.01 2.79 1.02 -0.92 -4.93 119.74 119.74 1pg3 s LYS 68 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1pg3 s LYS 68 Cb -0.16 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1pg3 s LYS 68 CO -0.07 0.10 0.00 -1.58 -0.92 0.00 0.00 175.35 172.88 1pg3 s TRP 69 N -0.16 0.11 -0.99 3.18 0.52 -1.26 -2.00 118.94 118.35 1pg3 s TRP 69 Ca 0.01 0.03 -0.02 0.00 0.02 0.00 0.00 56.10 56.14 1pg3 s TRP 69 Cb -0.02 -0.17 0.02 0.00 -1.15 0.00 0.00 33.47 32.14 1pg3 s TRP 69 CO -0.00 -0.05 0.11 0.66 0.02 0.00 0.00 176.95 177.69 1pg3 n TYR 70 N 3.57 -1.57 -0.42 -1.98 4.02 -0.53 -4.48 117.16 115.78 1pg3 n TYR 70 Ca -0.19 0.10 0.39 0.00 -0.01 0.00 0.00 57.90 58.19 1pg3 n TYR 70 Cb 0.55 -2.61 0.76 0.00 -0.02 0.00 0.00 39.34 38.02 1pg3 n TYR 70 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1pg3 h GLU 71 N -0.22 0.02 -0.02 -0.72 4.11 -1.82 -0.26 114.58 115.68 1pg3 h GLU 71 Ca -0.29 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1pg3 h GLU 71 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1pg3 h GLU 71 CO 0.35 0.01 -0.20 -0.40 0.07 0.00 0.00 179.01 178.84 1pg3 n ASP 72 N -4.15 2.10 -4.84 3.06 5.68 -1.26 -4.34 116.55 112.81 1pg3 n ASP 72 Ca 0.31 -1.58 -0.35 0.00 -0.50 0.00 0.00 54.79 52.67 1pg3 n ASP 72 Cb 1.43 0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 41.52 1pg3 n ASP 72 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pg3 s GLY 73 N -2.24 2.48 0.07 6.12 0.00 -0.11 -4.70 107.32 108.95 1pg3 s GLY 73 Ca 0.26 0.02 0.09 0.00 0.00 0.00 0.00 44.72 45.10 1pg3 s GLY 73 CO 0.43 0.30 -0.25 -0.51 0.00 0.00 0.00 173.10 173.07 1pg3 s THR 74 N -1.65 2.31 0.24 0.90 -4.23 -0.77 -1.72 115.64 110.72 1pg3 s THR 74 Ca 0.45 -1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.36 1pg3 s THR 74 Cb -0.14 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.78 1pg3 s THR 74 CO 0.20 0.26 0.57 0.00 -0.54 0.00 0.00 174.62 175.11 1pg3 n LEU 75 N 1.42 0.00 -3.68 4.79 -0.00 0.46 -0.39 117.00 119.60 1pg3 n LEU 75 Ca -0.17 -1.62 -0.21 0.00 -0.00 0.00 0.00 56.01 54.02 1pg3 n LEU 75 Cb 0.52 2.49 -0.18 0.00 -0.00 0.00 0.00 43.42 46.25 1pg3 n LEU 75 CO 0.24 -0.54 -0.34 0.21 -0.00 0.00 0.00 177.39 176.96 1pg3 s ASN 76 N -2.47 1.24 0.25 1.45 2.47 -1.26 -0.55 114.94 116.07 1pg3 s ASN 76 Ca 0.12 0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.38 1pg3 s ASN 76 Cb -0.03 -0.17 0.31 0.00 -1.45 0.00 0.00 41.25 39.91 1pg3 s ASN 76 CO 0.07 -0.25 1.90 0.25 -3.72 0.00 0.00 177.10 175.36 1pg3 h LEU 77 N 8.43 1.08 -0.66 3.21 6.46 -1.94 -2.02 115.31 129.88 1pg3 h LEU 77 Ca -0.13 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1pg3 h LEU 77 Cb 1.12 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 1pg3 h LEU 77 CO 0.17 0.74 0.22 0.00 -0.62 0.00 0.00 178.44 178.95 1pg3 h ALA 78 N 1.40 0.86 -0.23 1.25 0.00 -1.84 -1.08 119.26 119.62 1pg3 h ALA 78 Ca 0.39 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1pg3 h ALA 78 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pg3 h ALA 78 CO -0.12 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.52 1pg3 h ALA 79 N 1.09 1.36 0.00 0.00 0.00 -1.87 0.14 119.26 119.98 1pg3 h ALA 79 Ca 0.21 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1pg3 h ALA 79 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pg3 h ALA 79 CO -0.01 0.44 -0.69 -0.91 0.00 0.00 0.00 179.25 178.08 1pg3 h ASN 80 N 0.35 0.00 0.31 0.00 2.35 -0.89 -1.55 115.58 116.15 1pg3 h ASN 80 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1pg3 h ASN 80 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1pg3 h ASN 80 CO 0.03 0.69 -0.89 0.00 -1.65 0.00 0.00 177.43 175.60 1pg3 n LEU 82 N -1.70 0.00 -0.34 0.00 4.77 0.45 -4.54 117.00 115.64 1pg3 n LEU 82 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1pg3 n LEU 82 Cb 0.38 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1pg3 n LEU 82 CO 0.40 -0.23 0.66 0.44 -1.33 0.00 0.00 177.39 177.33 1pg3 h ASP 83 N 0.00 -0.95 0.07 -1.43 3.45 -1.62 0.11 116.42 116.05 1pg3 h ASP 83 Ca 0.00 0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.74 1pg3 h ASP 83 Cb 0.00 0.60 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1pg3 h ASP 83 CO 0.00 -0.31 0.00 -2.11 -1.57 0.00 0.00 179.24 175.25 1pg3 n ARG 84 N -5.58 0.38 0.00 3.56 1.85 -0.60 -2.19 116.66 114.09 1pg3 n ARG 84 Ca 0.14 0.04 0.06 0.00 -1.00 0.00 0.00 57.85 57.09 1pg3 n ARG 84 Cb 0.46 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.08 0.00 0.13 2.89 8.25 0.38 -4.71 115.22 121.08 1pg3 n HIS 85 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 1pg3 n HIS 85 Cb 0.07 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 0.02 -0.23 -0.78 2.41 3.38 -1.37 0.37 115.31 119.11 1pg3 h LEU 86 Ca 0.00 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.02 1pg3 h LEU 86 Cb 0.30 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 1pg3 h LEU 86 CO 0.00 -0.04 0.30 -0.61 0.09 0.00 0.00 178.44 178.18 1pg3 h GLN 87 N -0.42 0.41 0.00 1.13 4.15 -1.84 0.28 115.11 118.83 1pg3 h GLN 87 Ca -0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1pg3 h GLN 87 Cb 0.32 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1pg3 h GLN 87 CO 0.05 0.27 -1.46 0.39 -1.93 0.00 0.00 178.83 176.15 1pg3 n GLU 88 N -5.02 0.84 -1.37 1.69 4.71 -1.24 -4.72 120.64 115.52 1pg3 n GLU 88 Ca 0.15 -0.11 0.04 0.00 -0.01 0.00 0.00 57.16 57.24 1pg3 n GLU 88 Cb 0.45 -1.31 0.04 0.00 -1.01 0.00 0.00 31.44 29.61 1pg3 n GLU 88 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1pg3 n ASN 89 N -1.87 1.04 0.08 1.62 4.13 0.13 -4.87 115.26 115.52 1pg3 n ASN 89 Ca -0.02 -2.19 0.05 0.00 1.68 0.00 0.00 54.58 54.10 1pg3 n ASN 89 Cb 0.35 -0.32 0.47 0.00 -1.54 0.00 0.00 39.78 38.74 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 0.96 0.38 1.77 7.41 0.00 -0.60 -1.77 103.07 111.23 1pg3 h GLY 90 Ca -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1pg3 h GLY 90 CO 0.09 0.15 -0.20 -0.55 0.00 0.00 0.00 176.54 176.03 1pg3 h ASP 91 N 0.36 0.00 -3.91 0.19 3.32 -1.89 -0.68 116.42 113.81 1pg3 h ASP 91 Ca 0.09 -0.03 -0.52 0.00 0.02 0.00 0.00 57.03 56.59 1pg3 h ASP 91 Cb 0.04 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.66 1pg3 h ASP 91 CO -0.01 0.02 0.64 -0.60 -1.72 0.00 0.00 179.24 177.56 1pg3 s ARG 92 N -3.18 4.21 0.09 3.56 3.52 -0.66 -4.76 118.95 121.72 1pg3 s ARG 92 Ca 0.08 2.22 -0.31 0.00 -0.13 0.00 0.00 55.73 57.59 1pg3 s ARG 92 Cb 0.10 -2.96 -0.08 0.00 -1.56 0.00 0.00 34.95 30.45 1pg3 s ARG 92 CO 0.66 -0.32 1.45 0.99 -0.81 0.00 0.00 175.30 177.27 1pg3 s THR 93 N -1.18 3.28 -0.21 4.11 2.01 -1.26 -1.28 115.64 121.11 1pg3 s THR 93 Ca 0.52 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 63.20 1pg3 s THR 93 Cb -0.40 -3.55 -0.19 0.00 0.01 0.00 0.00 72.50 68.38 1pg3 s THR 93 CO 0.52 0.04 0.10 0.00 -0.69 0.00 0.00 174.62 174.60 1pg3 n ALA 94 N 4.51 0.91 -3.54 7.40 0.00 0.14 -4.16 120.51 125.77 1pg3 n ALA 94 Ca 0.13 -0.65 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 1pg3 n ALA 94 Cb 0.42 -0.42 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.43 1.08 -0.29 0.00 1.01 -0.71 -1.09 121.20 118.77 1pg3 s ILE 95 Ca -0.30 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 1pg3 s ILE 95 Cb 0.08 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1pg3 s ILE 95 CO 0.60 0.35 0.16 -0.63 0.00 0.00 0.00 174.94 175.42 1pg3 s ILE 96 N 0.82 4.87 -0.24 2.92 1.01 -0.28 -1.41 121.20 128.89 1pg3 s ILE 96 Ca -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1pg3 s ILE 96 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1pg3 s ILE 96 CO 0.02 0.17 0.08 0.86 0.00 0.00 0.00 174.94 176.06 1pg3 s TRP 97 N 1.68 3.13 -0.31 3.97 -0.00 0.01 -0.64 118.94 126.77 1pg3 s TRP 97 Ca 0.06 -0.25 -0.05 0.00 -0.00 0.00 0.00 56.10 55.86 1pg3 s TRP 97 Cb -0.16 -2.21 0.04 0.00 -0.00 0.00 0.00 33.47 31.13 1pg3 s TRP 97 CO 0.08 -0.22 0.06 -2.00 -0.00 0.00 0.00 176.95 174.87 1pg3 s GLU 98 N 1.34 2.67 1.04 5.86 2.56 -0.85 -1.06 118.70 130.25 1pg3 s GLU 98 Ca 0.05 -1.13 -0.12 0.00 0.00 0.00 0.00 54.97 53.77 1pg3 s GLU 98 Cb -0.15 -3.33 0.22 0.00 2.00 0.00 0.00 34.13 32.86 1pg3 s GLU 98 CO 0.04 -0.59 1.07 0.20 -0.56 0.00 0.00 175.26 175.42 1pg3 s GLY 99 N 1.37 1.59 0.44 -1.50 0.00 0.47 -1.03 107.32 108.67 1pg3 s GLY 99 Ca -0.02 0.01 0.10 0.00 0.00 0.00 0.00 44.72 44.81 1pg3 s GLY 99 CO 0.01 0.61 2.08 -1.80 0.00 0.00 0.00 173.10 174.00 1pg3 h ASP 100 N -2.19 0.31 -3.69 1.64 3.58 -1.86 -3.37 116.42 110.84 1pg3 h ASP 100 Ca -0.55 -0.01 -0.65 0.00 0.42 0.00 0.00 57.03 56.24 1pg3 h ASP 100 Cb 1.31 -0.08 -0.22 0.00 1.72 0.00 0.00 39.33 42.07 1pg3 h ASP 100 CO 0.50 0.23 -0.59 -0.62 -2.88 0.00 0.00 179.24 175.89 1pg3 s ASP 101 N -6.82 5.40 0.61 2.28 -1.08 -1.26 -4.81 116.67 110.99 1pg3 s ASP 101 Ca -0.07 -0.26 0.28 0.00 -0.52 0.00 0.00 52.55 51.98 1pg3 s ASP 101 Cb 0.17 -1.98 1.41 0.00 -1.46 0.00 0.00 42.92 41.06 1pg3 s ASP 101 CO 0.71 -0.08 1.82 0.00 0.52 0.00 0.00 175.17 178.14 1pg3 h THR 102 N 5.55 0.22 0.00 1.71 1.03 -1.97 0.14 112.91 119.59 1pg3 h THR 102 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1pg3 h THR 102 Cb 1.17 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1pg3 h THR 102 CO 0.58 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.55 1pg3 n SER 103 N -3.40 0.00 -4.32 0.00 3.41 -1.26 -4.58 113.62 103.47 1pg3 n SER 103 Ca 0.06 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.53 1pg3 n SER 103 Cb 0.67 -0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 1pg3 n SER 103 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pg3 s GLN 104 N -2.70 3.36 0.21 4.33 -1.52 0.48 -5.08 119.66 118.75 1pg3 s GLN 104 Ca 0.12 -0.65 -0.20 0.00 -1.95 0.00 0.00 55.36 52.67 1pg3 s GLN 104 Cb 0.10 -2.86 0.04 0.00 -0.22 0.00 0.00 33.01 30.07 1pg3 s GLN 104 CO 0.24 -0.06 0.61 -1.54 -0.25 0.00 0.00 175.29 174.29 1pg3 s SER 105 N 1.09 -0.36 -0.00 5.90 1.04 -1.26 -0.39 113.70 119.71 1pg3 s SER 105 Ca 0.01 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 55.92 1pg3 s SER 105 Cb -0.15 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1pg3 s SER 105 CO -0.01 -1.12 0.31 -0.54 0.98 0.00 0.00 173.24 172.86 1pg3 s LYS 106 N -3.85 0.70 -0.35 4.02 1.02 -0.23 -4.98 119.74 116.07 1pg3 s LYS 106 Ca 0.07 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.83 1pg3 s LYS 106 Cb -0.03 0.31 0.11 0.00 -0.52 0.00 0.00 37.83 37.70 1pg3 s LYS 106 CO -0.03 -0.20 0.10 -1.01 -0.92 0.00 0.00 175.35 173.29 1pg3 s HIS 107 N -1.55 2.59 -0.30 3.18 3.76 -1.26 -0.81 115.29 120.90 1pg3 s HIS 107 Ca -0.12 -2.36 -0.16 0.00 -0.15 0.00 0.00 55.06 52.27 1pg3 s HIS 107 Cb -0.04 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1pg3 s HIS 107 CO 0.03 -0.89 0.41 0.42 -0.85 0.00 0.00 174.74 173.86 1pg3 s ILE 108 N 1.12 5.13 0.72 0.60 1.01 -0.50 -4.98 121.20 124.30 1pg3 s ILE 108 Ca 0.11 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 1pg3 s ILE 108 Cb -0.19 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1pg3 s ILE 108 CO -0.15 0.02 1.07 -0.94 0.00 0.00 0.00 174.94 174.94 1pg3 s SER 109 N 1.68 5.19 0.24 3.58 1.04 -1.26 0.24 113.70 124.41 1pg3 s SER 109 Ca 0.15 1.43 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 1pg3 s SER 109 Cb -0.16 -2.27 0.28 0.00 0.10 0.00 0.00 66.02 63.97 1pg3 s SER 109 CO 0.11 -1.54 1.89 1.88 0.98 0.00 0.00 173.24 176.56 1pg3 h TYR 110 N -0.79 1.13 -0.89 5.02 -1.99 -1.03 0.13 116.97 118.55 1pg3 h TYR 110 Ca -0.45 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.29 1pg3 h TYR 110 Cb 1.23 -0.38 -0.04 0.00 2.00 0.00 0.00 36.73 39.54 1pg3 h TYR 110 CO 0.56 0.66 0.50 -0.09 -0.00 0.00 0.00 178.16 179.79 1pg3 h ARG 111 N 1.18 1.23 0.04 4.88 2.43 -1.40 0.47 114.38 123.22 1pg3 h ARG 111 Ca 0.36 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1pg3 h ARG 111 Cb -0.02 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1pg3 h ARG 111 CO -0.11 0.89 -0.02 0.93 -1.51 0.00 0.00 179.97 180.15 1pg3 h GLU 112 N 1.24 -0.06 -0.72 0.20 5.08 -1.55 -1.32 114.58 117.44 1pg3 h GLU 112 Ca 0.31 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.76 1pg3 h GLU 112 Cb 0.01 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1pg3 h GLU 112 CO -0.05 0.37 0.39 1.25 -1.00 0.00 0.00 179.01 179.97 1pg3 h LEU 113 N -0.50 0.54 -0.28 1.33 5.85 -0.60 -0.61 115.31 121.04 1pg3 h LEU 113 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1pg3 h LEU 113 Cb 0.45 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1pg3 h LEU 113 CO 0.01 0.33 0.17 -0.74 -0.34 0.00 0.00 178.44 177.87 1pg3 h HIS 114 N 0.68 0.37 -0.36 1.25 2.76 -0.89 0.49 115.15 119.45 1pg3 h HIS 114 Ca 0.34 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.55 1pg3 h HIS 114 Cb 0.30 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1pg3 h HIS 114 CO -0.09 0.26 0.15 -0.09 -1.30 0.00 0.00 177.93 176.87 1pg3 h ARG 115 N 0.36 0.32 -0.37 5.26 2.43 -0.15 -0.20 114.38 122.04 1pg3 h ARG 115 Ca 0.10 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1pg3 h ARG 115 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1pg3 h ARG 115 CO -0.02 0.21 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.07 1pg3 h ASP 116 N 0.33 0.64 -0.56 -3.80 3.32 -0.85 -1.40 116.42 114.09 1pg3 h ASP 116 Ca 0.16 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1pg3 h ASP 116 Cb 0.10 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1pg3 h ASP 116 CO -0.13 0.80 0.01 0.58 -1.72 0.00 0.00 179.24 178.78 1pg3 h VAL 117 N 0.59 1.26 -0.18 -1.35 2.07 -0.44 0.17 116.25 118.37 1pg3 h VAL 117 Ca 0.10 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1pg3 h VAL 117 Cb 0.58 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1pg3 h VAL 117 CO 0.04 0.40 0.07 0.00 0.02 0.00 0.00 177.57 178.10 1pg3 h ARG 119 N 0.13 1.12 -0.06 0.00 3.08 -1.05 -1.73 114.38 115.87 1pg3 h ARG 119 Ca 0.06 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1pg3 h ARG 119 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1pg3 h ARG 119 CO -0.00 0.84 -0.58 0.35 -1.07 0.00 0.00 179.97 179.51 1pg3 h PHE 120 N 1.11 0.24 -0.38 3.04 3.57 -0.79 -1.40 116.94 122.33 1pg3 h PHE 120 Ca 0.28 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1pg3 h PHE 120 Cb 0.06 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1pg3 h PHE 120 CO 0.01 0.72 0.20 0.00 -2.23 0.00 0.00 178.31 177.00 1pg3 h ALA 121 N 1.26 0.49 -0.17 2.41 0.00 -0.31 -0.94 119.26 122.00 1pg3 h ALA 121 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pg3 h ALA 121 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pg3 h ALA 121 CO 0.09 0.04 -0.13 -0.91 0.00 0.00 0.00 179.25 178.33 1pg3 h ASN 122 N 0.48 0.26 -0.22 0.00 2.35 -1.13 -2.07 115.58 115.25 1pg3 h ASN 122 Ca 0.13 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1pg3 h ASN 122 Cb 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1pg3 h ASN 122 CO -0.02 0.42 0.12 0.74 -1.65 0.00 0.00 177.43 177.04 1pg3 h THR 123 N 0.26 1.12 -0.17 2.81 2.02 -0.33 0.63 112.91 119.25 1pg3 h THR 123 Ca 0.05 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1pg3 h THR 123 Cb 0.40 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1pg3 h THR 123 CO 0.02 0.12 0.11 -0.07 0.37 0.00 0.00 175.52 176.07 1pg3 h LEU 124 N 0.24 0.20 -0.27 2.58 3.38 -0.85 -1.61 115.31 118.99 1pg3 h LEU 124 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pg3 h LEU 124 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pg3 h LEU 124 CO -0.01 0.17 0.17 -0.07 0.09 0.00 0.00 178.44 178.79 1pg3 h LEU 125 N 0.21 0.32 -2.19 1.67 3.38 -1.23 -0.46 115.31 117.00 1pg3 h LEU 125 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pg3 h LEU 125 Cb 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pg3 h LEU 125 CO -0.01 0.26 -0.06 0.44 0.09 0.00 0.00 178.44 179.15 1pg3 h ASP 126 N 0.35 0.00 1.46 -0.43 3.32 -0.71 -0.46 116.42 119.96 1pg3 h ASP 126 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pg3 h ASP 126 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1pg3 h ASP 126 CO -0.02 0.06 -0.20 0.25 -1.72 0.00 0.00 179.24 177.61 1pg3 h LEU 127 N 0.00 0.00 0.00 1.55 5.85 -0.25 -3.47 115.31 118.98 1pg3 h LEU 127 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1pg3 h LEU 127 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1pg3 h LEU 127 CO 0.01 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 1pg3 n GLY 128 N 1.25 1.00 3.72 3.75 0.00 -0.18 -5.09 105.19 109.64 1pg3 n GLY 128 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.85 0.29 -0.61 -1.09 -0.29 -4.98 121.20 116.36 1pg3 s ILE 129 Ca 0.00 1.40 0.06 0.00 -2.23 0.00 0.00 60.65 59.87 1pg3 s ILE 129 Cb 0.00 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1pg3 s ILE 129 CO 0.00 0.15 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.29 1pg3 s LYS 130 N 0.63 1.56 0.16 2.79 1.02 -1.26 -4.14 119.74 120.49 1pg3 s LYS 130 Ca 0.57 -1.81 -0.34 0.00 0.02 0.00 0.00 55.97 54.41 1pg3 s LYS 130 Cb -0.31 -1.06 -0.14 0.00 -0.52 0.00 0.00 37.83 35.80 1pg3 s LYS 130 CO 0.32 -0.02 1.54 1.17 -0.92 0.00 0.00 175.35 177.44 1pg3 n LYS 131 N -0.59 2.03 0.00 1.68 4.81 -1.26 -1.49 118.16 123.34 1pg3 n LYS 131 Ca -0.05 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1pg3 n LYS 131 Cb 0.64 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 3.26 3.18 3.78 3.14 0.00 -0.55 -4.93 105.19 113.08 1pg3 n GLY 132 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.64 5.56 -0.21 1.61 1.01 -0.55 -4.60 116.67 118.84 1pg3 s ASP 133 Ca 0.00 2.00 -0.09 0.00 0.71 0.00 0.00 52.55 55.17 1pg3 s ASP 133 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1pg3 s ASP 133 CO 0.00 -1.33 0.11 -0.69 0.21 0.00 0.00 175.17 173.47 1pg3 s VAL 134 N -2.17 5.03 -0.25 -1.27 1.01 -1.25 -0.66 120.40 120.83 1pg3 s VAL 134 Ca 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1pg3 s VAL 134 Cb -0.20 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1pg3 s VAL 134 CO 0.34 0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 175.09 1pg3 s VAL 135 N 0.79 2.79 0.14 2.92 1.01 -0.26 -2.52 120.40 125.26 1pg3 s VAL 135 Ca 0.06 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1pg3 s VAL 135 Cb -0.13 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1pg3 s VAL 135 CO 0.02 0.15 1.06 0.00 0.00 0.00 0.00 175.10 176.33 1pg3 s ALA 136 N 1.29 3.32 -0.23 5.51 0.00 -0.21 0.07 121.76 131.51 1pg3 s ALA 136 Ca -0.01 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1pg3 s ALA 136 Cb -0.17 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1pg3 s ALA 136 CO -0.04 -0.17 -0.09 0.42 0.00 0.00 0.00 175.76 175.88 1pg3 s ILE 137 N 0.02 1.77 -0.75 0.00 1.01 0.26 -0.85 121.20 122.66 1pg3 s ILE 137 Ca 0.50 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1pg3 s ILE 137 Cb -0.27 -1.94 0.18 0.00 0.01 0.00 0.00 42.46 40.44 1pg3 s ILE 137 CO 0.32 -0.01 0.57 0.00 0.00 0.00 0.00 174.94 175.83 1pg3 n TYR 138 N 4.59 3.49 -4.30 3.97 9.36 -0.00 0.14 117.16 134.41 1pg3 n TYR 138 Ca -0.13 -4.27 -0.22 0.00 3.32 0.00 0.00 57.90 56.59 1pg3 n TYR 138 Cb 0.44 -0.74 -0.12 0.00 -0.63 0.00 0.00 39.34 38.29 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 -1.50 1.19 0.58 2.98 -1.94 -1.26 -3.96 119.30 115.39 1pg3 s MET 139 Ca 0.26 -1.29 -0.06 0.00 -1.71 0.00 0.00 55.69 52.89 1pg3 s MET 139 Cb -0.04 -1.32 0.13 0.00 2.01 0.00 0.00 34.83 35.61 1pg3 s MET 139 CO -0.16 0.28 0.79 -0.35 -0.01 0.00 0.00 175.02 175.58 1pg3 n PRO 140 N 0.65 -0.39 -2.41 2.03 -0.04 -1.26 -4.43 135.00 129.15 1pg3 n PRO 140 Ca -0.16 -1.62 -0.43 0.00 -0.04 0.00 0.00 63.50 61.26 1pg3 n PRO 140 Cb 0.56 -0.69 -0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1pg3 n PRO 140 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pg3 n MET 141 N -2.58 3.12 -4.10 0.54 2.81 -1.26 -4.70 117.12 110.94 1pg3 n MET 141 Ca 0.11 -3.14 -0.12 0.00 -1.81 0.00 0.00 57.70 52.74 1pg3 n MET 141 Cb 0.40 -3.46 -0.11 0.00 -0.71 0.00 0.00 33.22 29.34 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 4.10 0.59 0.27 2.03 -7.23 -1.26 -4.20 120.40 114.70 1pg3 s VAL 142 Ca 0.53 -1.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1pg3 s VAL 142 Cb 0.06 -1.00 0.29 0.00 0.56 0.00 0.00 36.38 36.29 1pg3 s VAL 142 CO 0.05 -0.56 1.66 -0.65 -0.31 0.00 0.00 175.10 175.28 1pg3 h PRO 143 N 3.94 0.21 -1.23 4.82 0.11 -1.95 -0.02 132.00 137.88 1pg3 h PRO 143 Ca -0.36 -0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.10 1pg3 h PRO 143 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1pg3 h PRO 143 CO 0.49 0.14 0.88 0.93 -0.21 0.00 0.00 178.00 180.24 1pg3 h GLU 144 N 0.22 0.02 -0.45 1.05 3.07 -1.97 0.30 114.58 116.82 1pg3 h GLU 144 Ca 0.51 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.28 1pg3 h GLU 144 Cb 0.97 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1pg3 h GLU 144 CO -0.62 0.01 -0.05 0.00 -1.40 0.00 0.00 179.01 176.95 1pg3 h ALA 145 N 1.40 0.62 -0.12 3.43 0.00 -1.27 -0.73 119.26 122.58 1pg3 h ALA 145 Ca 0.59 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1pg3 h ALA 145 Cb 2.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1pg3 h ALA 145 CO -0.03 0.46 -0.53 0.00 0.00 0.00 0.00 179.25 179.15 1pg3 h ALA 146 N 0.89 0.87 -0.46 0.00 0.00 -0.57 -1.80 119.26 118.18 1pg3 h ALA 146 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1pg3 h ALA 146 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pg3 h ALA 146 CO 0.03 0.68 -0.08 0.28 0.00 0.00 0.00 179.25 180.16 1pg3 h VAL 147 N 0.26 1.27 -0.48 0.00 2.07 -1.08 -0.52 116.25 117.77 1pg3 h VAL 147 Ca 0.01 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1pg3 h VAL 147 Cb 1.02 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1pg3 h VAL 147 CO 0.09 0.41 0.05 0.00 0.02 0.00 0.00 177.57 178.14 1pg3 h ALA 148 N 0.89 0.65 -0.39 1.67 0.00 -0.98 -0.68 119.26 120.41 1pg3 h ALA 148 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1pg3 h ALA 148 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pg3 h ALA 148 CO 0.04 0.40 -0.05 0.52 0.00 0.00 0.00 179.25 180.16 1pg3 h MET 149 N 0.69 0.72 -0.52 0.00 2.86 -1.21 -1.95 114.93 115.51 1pg3 h MET 149 Ca 0.14 -0.25 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1pg3 h MET 149 Cb 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1pg3 h MET 149 CO 0.01 0.84 -0.14 -0.07 1.06 0.00 0.00 176.91 178.62 1pg3 h LEU 150 N 0.53 1.01 -0.47 1.22 3.38 -1.03 -2.02 115.31 117.93 1pg3 h LEU 150 Ca 0.10 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1pg3 h LEU 150 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1pg3 h LEU 150 CO 0.03 1.14 0.25 0.00 0.09 0.00 0.00 178.44 179.95 1pg3 h ALA 151 N 0.94 0.61 -0.30 1.53 0.00 -1.06 0.19 119.26 121.17 1pg3 h ALA 151 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pg3 h ALA 151 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pg3 h ALA 151 CO 0.05 0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.61 1pg3 h ALA 153 N 1.13 1.06 -0.80 0.00 0.00 -1.12 0.35 119.26 119.88 1pg3 h ALA 153 Ca 0.12 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1pg3 h ALA 153 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1pg3 h ALA 153 CO -0.06 0.61 0.53 -0.09 0.00 0.00 0.00 179.25 180.24 1pg3 h ARG 154 N 0.90 0.83 -0.49 0.00 2.43 -0.04 -2.20 114.38 115.81 1pg3 h ARG 154 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1pg3 h ARG 154 Cb 0.38 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1pg3 h ARG 154 CO 0.01 0.55 0.00 0.44 -1.51 0.00 0.00 179.97 179.46 1pg3 n ILE 155 N -4.49 0.65 -0.91 1.20 -5.35 -1.04 -4.40 119.36 105.02 1pg3 n ILE 155 Ca 0.12 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1pg3 n ILE 155 Cb 0.23 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 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 1.55 0.49 3.71 3.28 0.00 -0.83 -3.98 105.19 109.41 1pg3 n GLY 156 Ca 0.21 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 3.34 -0.34 4.61 0.00 0.12 -1.48 121.76 126.00 1pg3 s ALA 157 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1pg3 s ALA 157 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1pg3 s ALA 157 CO 0.00 -0.17 1.27 0.08 0.00 0.00 0.00 175.76 176.95 1pg3 s VAL 158 N 0.94 4.16 0.21 0.00 1.01 0.16 -3.83 120.40 123.05 1pg3 s VAL 158 Ca 0.39 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 1pg3 s VAL 158 Cb -0.18 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1pg3 s VAL 158 CO 0.18 -0.58 0.56 -1.38 0.00 0.00 0.00 175.10 173.88 1pg3 s HIS 159 N 4.46 3.48 -0.53 5.22 -3.43 -1.17 -1.11 115.29 122.22 1pg3 s HIS 159 Ca 0.55 0.95 0.04 0.00 -0.80 0.00 0.00 55.06 55.79 1pg3 s HIS 159 Cb -0.14 -2.31 0.15 0.00 -1.43 0.00 0.00 32.58 28.84 1pg3 s HIS 159 CO 0.25 0.31 0.32 0.45 -2.00 0.00 0.00 174.74 174.07 1pg3 s SER 160 N -2.15 3.95 0.21 7.38 0.15 0.11 -2.15 113.70 121.19 1pg3 s SER 160 Ca 0.45 -3.10 -0.30 0.00 0.70 0.00 0.00 55.95 53.70 1pg3 s SER 160 Cb -0.12 -1.31 -0.08 0.00 -1.71 0.00 0.00 66.02 62.79 1pg3 s SER 160 CO 0.20 -0.20 1.21 -0.69 1.20 0.00 0.00 173.24 174.96 1pg3 s VAL 161 N -0.33 3.47 -0.17 4.45 1.01 -1.26 -0.58 120.40 127.00 1pg3 s VAL 161 Ca 0.21 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1pg3 s VAL 161 Cb -0.17 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1pg3 s VAL 161 CO -0.06 0.22 -0.13 -0.63 0.00 0.00 0.00 175.10 174.50 1pg3 s ILE 162 N -0.22 1.60 0.10 2.22 1.01 0.38 -4.73 121.20 121.56 1pg3 s ILE 162 Ca 0.52 -0.76 -0.36 0.00 0.00 0.00 0.00 60.65 60.05 1pg3 s ILE 162 Cb -0.33 -1.56 -0.16 0.00 0.01 0.00 0.00 42.46 40.41 1pg3 s ILE 162 CO 0.38 0.37 1.31 0.33 0.00 0.00 0.00 174.94 177.33 1pg3 n PHE 163 N 4.74 1.49 0.24 3.97 7.35 -1.26 -4.25 117.46 129.74 1pg3 n PHE 163 Ca -0.16 0.64 0.14 0.00 -0.76 0.00 0.00 57.45 57.30 1pg3 n PHE 163 Cb 0.49 -2.33 0.73 0.00 0.35 0.00 0.00 39.48 38.72 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 4.37 0.00 1.44 7.13 0.00 -1.94 -1.54 103.07 112.54 1pg3 h GLY 164 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1pg3 h GLY 164 CO 0.77 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.90 1pg3 n GLY 165 N -1.23 -1.22 3.78 4.60 0.00 -1.26 -4.84 105.19 105.02 1pg3 n GLY 165 Ca -0.02 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.51 3.65 0.95 1.61 0.40 -0.58 -4.14 117.98 117.36 1pg3 s PHE 166 Ca 0.30 1.77 -0.13 0.00 -0.60 0.00 0.00 56.93 58.28 1pg3 s PHE 166 Cb 0.20 -2.99 0.16 0.00 0.51 0.00 0.00 43.02 40.91 1pg3 s PHE 166 CO 0.45 0.05 1.13 -1.54 0.70 0.00 0.00 175.22 176.01 1pg3 s SER 167 N -1.51 3.12 0.20 1.36 1.04 -0.81 -4.77 113.70 112.33 1pg3 s SER 167 Ca 0.50 0.96 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 1pg3 s SER 167 Cb -0.21 -1.52 0.19 0.00 0.10 0.00 0.00 66.02 64.58 1pg3 s SER 167 CO 0.26 -2.79 1.80 -0.65 0.98 0.00 0.00 173.24 172.84 1pg3 h PRO 168 N -1.66 0.60 -0.26 4.02 0.11 -1.81 -0.00 132.00 133.00 1pg3 h PRO 168 Ca -0.51 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.60 1pg3 h PRO 168 Cb 1.33 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1pg3 h PRO 168 CO 0.59 0.40 0.05 1.49 -0.21 0.00 0.00 178.00 180.31 1pg3 h GLU 169 N 0.62 0.14 -0.82 1.05 4.57 -1.83 0.11 114.58 118.42 1pg3 h GLU 169 Ca 0.26 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1pg3 h GLU 169 Cb 0.14 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1pg3 h GLU 169 CO -0.16 0.09 0.46 0.00 -1.18 0.00 0.00 179.01 178.22 1pg3 h ALA 170 N 1.19 1.27 -0.40 2.92 0.00 -1.49 -1.67 119.26 121.08 1pg3 h ALA 170 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1pg3 h ALA 170 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pg3 h ALA 170 CO -0.16 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 179.96 1pg3 h VAL 171 N 1.14 1.26 -0.61 0.00 2.07 -0.45 -2.79 116.25 116.87 1pg3 h VAL 171 Ca 0.29 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1pg3 h VAL 171 Cb 0.01 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1pg3 h VAL 171 CO -0.05 0.35 0.40 0.00 0.02 0.00 0.00 177.57 178.29 1pg3 h ALA 172 N 0.88 0.77 -0.70 1.67 0.00 -0.59 -1.84 119.26 119.45 1pg3 h ALA 172 Ca 0.11 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1pg3 h ALA 172 Cb 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1pg3 h ALA 172 CO 0.02 0.19 0.46 0.78 0.00 0.00 0.00 179.25 180.70 1pg3 h GLY 173 N 0.81 0.88 0.90 0.00 0.00 -1.15 0.43 103.07 104.93 1pg3 h GLY 173 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1pg3 h GLY 173 CO -0.06 0.18 -0.56 0.00 0.00 0.00 0.00 176.54 176.10 1pg3 h ILE 175 N 0.13 1.25 -0.26 0.00 2.04 -0.90 -1.53 117.51 118.24 1pg3 h ILE 175 Ca -0.05 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1pg3 h ILE 175 Cb 1.22 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1pg3 h ILE 175 CO 0.12 0.32 0.09 0.40 0.00 0.00 0.00 178.15 179.07 1pg3 h ILE 176 N 0.60 0.93 -0.57 -0.67 2.04 -1.01 0.66 117.51 119.49 1pg3 h ILE 176 Ca 0.13 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 1pg3 h ILE 176 Cb 0.40 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1pg3 h ILE 176 CO 0.01 0.04 -0.03 -0.78 0.00 0.00 0.00 178.15 177.39 1pg3 h ASP 177 N 0.21 1.00 0.58 1.72 1.82 -1.41 -3.16 116.42 117.18 1pg3 h ASP 177 Ca 0.11 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1pg3 h ASP 177 Cb 0.08 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.82 1pg3 h ASP 177 CO -0.12 1.07 -0.69 -1.54 -1.61 0.00 0.00 179.24 176.36 1pg3 n SER 178 N -4.17 0.61 -3.78 2.28 3.41 -0.58 -4.96 113.62 106.41 1pg3 n SER 178 Ca 0.03 -0.15 -0.26 0.00 -0.26 0.00 0.00 58.87 58.23 1pg3 n SER 178 Cb 0.36 0.38 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.81 -3.98 -4.77 4.04 7.64 0.23 -4.77 113.62 110.20 1pg3 n SER 179 Ca 0.04 -0.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 1pg3 n SER 179 Cb 0.39 -4.18 -0.01 0.00 -1.01 0.00 0.00 64.21 59.41 1pg3 n SER 179 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pg3 s SER 180 N -3.64 6.38 0.11 6.43 0.01 -1.19 -4.76 113.70 117.04 1pg3 s SER 180 Ca 0.45 2.99 0.17 0.00 1.31 0.00 0.00 55.95 60.87 1pg3 s SER 180 Cb -0.22 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.27 1pg3 s SER 180 CO 0.80 -0.87 0.94 0.03 0.41 0.00 0.00 173.24 174.55 1pg3 h ARG 181 N 3.68 0.00 -5.05 12.44 3.08 -1.60 -2.83 114.38 124.10 1pg3 h ARG 181 Ca -0.49 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.20 1pg3 h ARG 181 Cb 1.23 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.07 1pg3 h ARG 181 CO 0.70 0.28 -0.76 -1.17 -1.07 0.00 0.00 179.97 177.95 1pg3 s LEU 182 N -5.83 2.29 -0.07 3.04 2.96 -1.26 -0.77 118.68 119.04 1pg3 s LEU 182 Ca -0.02 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1pg3 s LEU 182 Cb 0.09 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.42 1pg3 s LEU 182 CO 0.80 -0.14 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.90 1pg3 s VAL 183 N -1.49 0.96 -0.21 1.68 1.01 -0.99 -1.05 120.40 120.32 1pg3 s VAL 183 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1pg3 s VAL 183 Cb -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1pg3 s VAL 183 CO 0.01 0.33 -0.09 -0.63 0.00 0.00 0.00 175.10 174.73 1pg3 s ILE 184 N 1.03 2.97 0.08 2.22 1.01 -0.03 -1.33 121.20 127.16 1pg3 s ILE 184 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1pg3 s ILE 184 Cb -0.15 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1pg3 s ILE 184 CO -0.00 0.44 0.10 1.07 0.00 0.00 0.00 174.94 176.54 1pg3 n THR 185 N 4.74 0.00 -4.40 2.92 5.66 -0.58 -0.82 114.28 121.80 1pg3 n THR 185 Ca -0.19 -0.44 -0.20 0.00 -3.05 0.00 0.00 64.05 60.17 1pg3 n THR 185 Cb 0.50 0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 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 -1.97 2.18 0.09 1.79 0.00 -1.25 -0.90 121.76 121.68 1pg3 s ALA 186 Ca 0.07 -1.86 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 1pg3 s ALA 186 Cb -0.00 0.28 -0.16 0.00 0.00 0.00 0.00 23.12 23.24 1pg3 s ALA 186 CO 0.05 -0.13 1.71 0.38 0.00 0.00 0.00 175.76 177.78 1pg3 h ASP 187 N 2.34 -0.11 -5.09 0.00 3.04 -1.50 -1.18 116.42 113.92 1pg3 h ASP 187 Ca -0.39 -0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.33 1pg3 h ASP 187 Cb 1.23 0.03 -0.14 0.00 -1.04 0.00 0.00 39.33 39.41 1pg3 h ASP 187 CO 0.66 -0.07 -0.16 -1.61 -2.04 0.00 0.00 179.24 176.03 1pg3 s GLU 188 N -6.13 0.98 0.34 4.15 2.02 -1.26 -2.27 118.70 116.53 1pg3 s GLU 188 Ca -0.14 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.20 1pg3 s GLU 188 Cb 0.06 0.42 -0.02 0.00 0.10 0.00 0.00 34.13 34.69 1pg3 s GLU 188 CO 0.65 -0.36 0.39 0.20 0.02 0.00 0.00 175.26 176.17 1pg3 s GLY 189 N -2.70 1.73 -0.14 -1.39 0.00 0.79 -4.46 107.32 101.15 1pg3 s GLY 189 Ca 0.02 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.17 1pg3 s GLY 189 CO -0.10 -1.49 -0.16 0.14 0.00 0.00 0.00 173.10 171.49 1pg3 s VAL 190 N -2.26 1.67 -0.17 1.40 1.01 -1.26 -0.71 120.40 120.08 1pg3 s VAL 190 Ca 0.44 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1pg3 s VAL 190 Cb -0.08 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.85 1pg3 s VAL 190 CO 0.29 0.48 0.27 -0.60 0.00 0.00 0.00 175.10 175.54 1pg3 s ARG 191 N 1.25 0.20 -1.13 2.72 3.52 -0.10 -4.54 118.95 120.86 1pg3 s ARG 191 Ca 0.00 0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 56.08 1pg3 s ARG 191 Cb -0.14 -0.49 0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1pg3 s ARG 191 CO -0.08 -0.46 0.98 0.00 -0.81 0.00 0.00 175.30 174.93 1pg3 n ALA 192 N 5.34 -1.20 0.00 6.12 0.00 -1.26 -2.39 120.51 127.12 1pg3 n ALA 192 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pg3 n ALA 192 Cb 0.50 -4.37 0.00 0.00 0.00 0.00 0.00 19.45 15.58 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 -1.68 3.02 3.92 0.00 0.00 -1.26 -5.00 105.19 104.19 1pg3 n GLY 193 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 3.56 -0.22 1.61 0.52 -1.01 -5.09 118.95 118.20 1pg3 s ARG 194 Ca 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 54.96 1pg3 s ARG 194 Cb 0.00 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1pg3 s ARG 194 CO 0.00 0.24 0.08 -1.12 0.02 0.00 0.00 175.30 174.51 1pg3 s SER 195 N -3.41 5.41 -0.19 0.23 0.01 -1.26 -0.92 113.70 113.57 1pg3 s SER 195 Ca 0.42 -0.07 -0.09 0.00 1.31 0.00 0.00 55.95 57.51 1pg3 s SER 195 Cb -0.10 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 1pg3 s SER 195 CO 0.32 0.05 0.12 -0.63 0.41 0.00 0.00 173.24 173.51 1pg3 s ILE 196 N 1.10 5.34 0.24 1.44 -1.09 0.11 -4.91 121.20 123.43 1pg3 s ILE 196 Ca 0.05 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.33 1pg3 s ILE 196 Cb -0.14 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.22 1pg3 s ILE 196 CO 0.03 0.46 1.22 -2.16 -1.23 0.00 0.00 174.94 173.26 1pg3 s PRO 197 N 0.26 4.48 0.14 2.79 0.04 -1.26 -0.15 135.00 141.30 1pg3 s PRO 197 Ca 0.08 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1pg3 s PRO 197 Cb -0.11 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1pg3 s PRO 197 CO -0.01 -0.06 0.00 1.28 0.04 0.00 0.00 177.00 178.24 1pg3 n LEU 198 N 1.89 0.33 -0.17 -3.56 4.77 -1.09 -4.69 117.00 114.48 1pg3 n LEU 198 Ca 0.03 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1pg3 n LEU 198 Cb 0.44 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1pg3 n LEU 198 CO 0.56 -0.62 0.96 0.50 -1.33 0.00 0.00 177.39 177.47 1pg3 h LYS 199 N 0.00 0.34 -0.52 3.23 1.63 -0.76 -0.61 116.57 119.88 1pg3 h LYS 199 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1pg3 h LYS 199 Cb 0.15 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1pg3 h LYS 199 CO 0.00 0.23 0.29 -0.22 -3.45 0.00 0.00 179.45 176.30 1pg3 h LYS 200 N 0.35 0.71 -0.25 1.90 3.64 -1.87 -1.01 116.57 120.04 1pg3 h LYS 200 Ca 0.25 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1pg3 h LYS 200 Cb 0.28 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1pg3 h LYS 200 CO -0.26 0.52 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.39 1pg3 h ASN 201 N 0.72 0.41 -0.28 4.20 2.35 -1.42 -1.56 115.58 119.99 1pg3 h ASN 201 Ca 0.19 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 1pg3 h ASN 201 Cb 0.01 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1pg3 h ASN 201 CO -0.03 0.57 -0.30 0.58 -1.65 0.00 0.00 177.43 176.60 1pg3 h VAL 202 N 0.39 1.30 -0.24 2.81 2.07 -0.32 -0.03 116.25 122.23 1pg3 h VAL 202 Ca 0.07 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1pg3 h VAL 202 Cb 0.48 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1pg3 h VAL 202 CO 0.03 0.47 -0.02 0.44 0.02 0.00 0.00 177.57 178.51 1pg3 h ASP 203 N 0.43 -0.13 -0.65 0.57 3.32 -0.96 0.26 116.42 119.26 1pg3 h ASP 203 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pg3 h ASP 203 Cb 0.88 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1pg3 h ASP 203 CO 0.07 -0.04 0.41 0.44 -1.72 0.00 0.00 179.24 178.41 1pg3 h ASP 204 N 0.05 0.77 -0.48 6.45 3.45 -1.19 -2.13 116.42 123.33 1pg3 h ASP 204 Ca 0.11 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 1pg3 h ASP 204 Cb 0.15 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 1pg3 h ASP 204 CO -0.21 0.58 0.15 0.00 -1.57 0.00 0.00 179.24 178.20 1pg3 h ALA 205 N 1.22 1.27 0.00 3.45 0.00 -0.22 -2.35 119.26 122.63 1pg3 h ALA 205 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pg3 h ALA 205 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1pg3 h ALA 205 CO -0.05 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1pg3 h LEU 206 N 0.78 0.00 -1.03 0.00 3.38 0.12 -2.76 115.31 115.80 1pg3 h LEU 206 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pg3 h LEU 206 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pg3 h LEU 206 CO -0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.63 1pg3 h LYS 207 N 0.00 0.00 -6.20 1.13 1.57 -0.90 -3.44 116.57 108.73 1pg3 h LYS 207 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1pg3 h LYS 207 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1pg3 h LYS 207 CO 0.00 0.00 1.24 -1.71 -0.57 0.00 0.00 179.45 178.41 1pg3 n ASN 208 N -3.09 3.41 0.19 0.86 2.85 -1.04 -4.82 115.26 113.61 1pg3 n ASN 208 Ca 0.02 0.74 0.10 0.00 -0.11 0.00 0.00 54.58 55.33 1pg3 n ASN 208 Cb 0.37 -1.43 0.56 0.00 1.24 0.00 0.00 39.78 40.53 1pg3 n ASN 208 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pg3 h PRO 209 N 11.02 0.00 0.00 1.20 0.13 -1.90 -1.24 132.00 141.21 1pg3 h PRO 209 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pg3 h PRO 209 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pg3 h PRO 209 CO 0.96 0.00 -0.40 -0.91 -0.23 0.00 0.00 178.00 177.42 1pg3 h ASN 210 N 0.00 0.00 -3.41 1.44 2.35 -1.94 -3.43 115.58 110.59 1pg3 h ASN 210 Ca 0.00 -0.08 -0.57 0.00 -0.55 0.00 0.00 56.30 55.10 1pg3 h ASN 210 Cb 0.27 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1pg3 h ASN 210 CO 0.00 0.04 0.85 -0.69 -1.65 0.00 0.00 177.43 175.98 1pg3 s VAL 211 N -3.19 4.44 0.00 2.81 1.01 -0.47 -4.81 120.40 120.19 1pg3 s VAL 211 Ca 0.06 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1pg3 s VAL 211 Cb 0.11 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1pg3 s VAL 211 CO 0.69 -0.60 0.01 0.35 0.00 0.00 0.00 175.10 175.54 1pg3 n THR 212 N 6.09 0.00 0.13 3.92 -2.24 -1.26 -4.84 114.28 116.08 1pg3 n THR 212 Ca 0.12 -0.22 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1pg3 n THR 212 Cb 0.48 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1pg3 n THR 212 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pg3 h SER 213 N 0.00 0.00 -3.05 3.42 4.64 -1.88 -3.46 113.55 113.22 1pg3 h SER 213 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1pg3 h SER 213 Cb 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1pg3 h SER 213 CO 0.00 0.15 0.77 -0.69 -0.87 0.00 0.00 176.83 176.19 1pg3 s VAL 214 N -3.21 4.44 -0.04 0.95 1.01 -1.07 -3.90 120.40 118.58 1pg3 s VAL 214 Ca 0.02 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.83 1pg3 s VAL 214 Cb 0.08 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1pg3 s VAL 214 CO 0.76 -0.09 0.14 -0.62 0.00 0.00 0.00 175.10 175.28 1pg3 n GLU 215 N 5.91 1.22 -3.95 2.72 1.02 0.05 -5.01 120.64 122.61 1pg3 n GLU 215 Ca 0.12 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1pg3 n GLU 215 Cb 0.46 -1.23 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 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 -2.48 0.24 -0.10 -0.32 3.76 -1.21 -4.58 115.29 110.60 1pg3 s HIS 216 Ca -0.04 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1pg3 s HIS 216 Cb 0.05 -0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.60 1pg3 s HIS 216 CO 0.38 -0.36 -0.00 0.08 -0.85 0.00 0.00 174.74 174.00 1pg3 s VAL 217 N -2.68 0.49 -0.13 -0.90 1.01 0.05 -2.33 120.40 115.91 1pg3 s VAL 217 Ca -0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1pg3 s VAL 217 Cb -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1pg3 s VAL 217 CO -0.05 0.17 0.35 -0.63 0.00 0.00 0.00 175.10 174.94 1pg3 s ILE 218 N 1.91 5.25 -0.09 2.22 1.01 -0.44 0.24 121.20 131.30 1pg3 s ILE 218 Ca 0.04 0.68 0.04 0.00 0.00 0.00 0.00 60.65 61.40 1pg3 s ILE 218 Cb -0.13 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1pg3 s ILE 218 CO -0.06 0.41 -0.21 -0.69 0.00 0.00 0.00 174.94 174.39 1pg3 s VAL 219 N 0.25 1.81 -0.18 2.92 1.01 0.14 -1.53 120.40 124.82 1pg3 s VAL 219 Ca 0.20 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1pg3 s VAL 219 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1pg3 s VAL 219 CO 0.07 0.51 0.32 -0.22 0.00 0.00 0.00 175.10 175.77 1pg3 s LEU 220 N 0.39 4.20 -0.74 3.92 2.96 -0.08 0.35 118.68 129.69 1pg3 s LEU 220 Ca -0.17 0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.98 1pg3 s LEU 220 Cb -0.17 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.17 1pg3 s LEU 220 CO 0.07 0.03 1.13 -0.75 -1.32 0.00 0.00 176.35 175.51 1pg3 s LYS 221 N 0.81 3.22 -0.18 1.98 2.20 -1.26 -1.18 119.74 125.33 1pg3 s LYS 221 Ca 0.17 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1pg3 s LYS 221 Cb -0.14 -4.36 -0.22 0.00 -1.51 0.00 0.00 37.83 31.61 1pg3 s LYS 221 CO 0.05 -1.96 0.11 -2.13 -0.36 0.00 0.00 175.35 171.06 1pg3 n ARG 222 N 8.29 0.69 -0.01 4.03 3.00 -1.26 -4.68 116.66 126.72 1pg3 n ARG 222 Ca 0.04 0.17 0.01 0.00 -0.00 0.00 0.00 57.85 58.06 1pg3 n ARG 222 Cb 0.47 -1.61 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 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 -3.20 0.13 -1.03 5.15 -2.24 -1.26 -5.02 114.28 106.82 1pg3 n THR 223 Ca -0.36 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 1pg3 n THR 223 Cb 1.05 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 2.40 0.48 3.75 3.38 0.00 -1.26 -5.02 105.19 108.93 1pg3 n GLY 224 Ca -0.04 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.57 4.62 -0.08 1.61 0.01 -1.26 -4.92 113.70 111.11 1pg3 s SER 225 Ca 0.00 2.08 -0.30 0.00 1.31 0.00 0.00 55.95 59.04 1pg3 s SER 225 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1pg3 s SER 225 CO 0.00 -1.96 1.67 -1.81 0.41 0.00 0.00 173.24 171.55 1pg3 s ASP 226 N -2.57 6.59 0.19 2.44 1.01 -1.26 -4.98 116.67 118.09 1pg3 s ASP 226 Ca 0.68 2.14 0.06 0.00 0.71 0.00 0.00 52.55 56.13 1pg3 s ASP 226 Cb -0.22 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 1pg3 s ASP 226 CO 0.46 -1.01 -0.10 0.27 0.21 0.00 0.00 175.17 175.00 1pg3 s ILE 227 N 4.34 1.36 0.33 0.77 -4.36 -1.26 -5.11 121.20 117.26 1pg3 s ILE 227 Ca 0.74 -2.11 -0.26 0.00 -0.26 0.00 0.00 60.65 58.76 1pg3 s ILE 227 Cb -0.32 -2.02 -0.10 0.00 1.25 0.00 0.00 42.46 41.27 1pg3 s ILE 227 CO 0.30 -0.61 0.95 -1.81 0.24 0.00 0.00 174.94 174.01 1pg3 s ASP 228 N -3.25 7.33 -0.02 4.36 -0.00 -1.26 -5.06 116.67 118.76 1pg3 s ASP 228 Ca 0.21 1.84 0.04 0.00 -0.00 0.00 0.00 52.55 54.64 1pg3 s ASP 228 Cb 0.02 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.35 1pg3 s ASP 228 CO 0.04 -0.08 -0.15 0.86 -0.00 0.00 0.00 175.17 175.85 1pg3 s TRP 229 N -1.62 1.44 -0.38 4.23 -0.11 -1.26 -5.01 118.94 116.23 1pg3 s TRP 229 Ca 0.50 -0.33 0.00 0.00 1.22 0.00 0.00 56.10 57.50 1pg3 s TRP 229 Cb -0.19 -0.95 0.11 0.00 -1.50 0.00 0.00 33.47 30.94 1pg3 s TRP 229 CO 0.24 -0.08 0.14 -1.14 -4.62 0.00 0.00 176.95 171.49 1pg3 s GLN 230 N -0.18 1.78 0.26 5.86 0.74 -1.26 -5.07 119.66 121.78 1pg3 s GLN 230 Ca 0.02 -1.87 -0.31 0.00 0.05 0.00 0.00 55.36 53.25 1pg3 s GLN 230 Cb -0.08 -3.42 -0.13 0.00 1.10 0.00 0.00 33.01 30.48 1pg3 s GLN 230 CO 0.00 -1.02 1.35 -1.91 -0.55 0.00 0.00 175.29 173.17 1pg3 n GLU 231 N 4.40 1.96 0.00 1.67 4.07 -1.26 -1.27 120.64 130.20 1pg3 n GLU 231 Ca 0.01 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 1pg3 n GLU 231 Cb 0.41 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 1pg3 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pg3 n GLY 232 N 1.86 2.70 0.08 8.31 0.00 -1.26 -4.72 105.19 112.16 1pg3 n GLY 232 Ca 0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.04 -6.52 1.61 2.43 -1.70 -3.46 114.38 106.70 1pg3 h ARG 233 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 1pg3 h ARG 233 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1pg3 h ARG 233 CO 0.00 0.66 0.22 -0.51 -1.51 0.00 0.00 179.97 178.83 1pg3 s ASP 234 N -5.93 7.41 -0.00 -3.80 1.01 -0.40 -0.77 116.67 114.19 1pg3 s ASP 234 Ca -0.15 1.67 0.01 0.00 0.71 0.00 0.00 52.55 54.79 1pg3 s ASP 234 Cb -0.01 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1pg3 s ASP 234 CO 0.56 0.14 -0.02 -0.76 0.21 0.00 0.00 175.17 175.30 1pg3 s LEU 235 N -0.84 2.01 0.12 1.23 1.43 0.14 -4.80 118.68 117.97 1pg3 s LEU 235 Ca 0.38 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1pg3 s LEU 235 Cb -0.23 -0.10 -0.06 0.00 0.03 0.00 0.00 46.19 45.82 1pg3 s LEU 235 CO 0.27 0.02 1.03 0.26 0.23 0.00 0.00 176.35 178.16 1pg3 s TRP 236 N -0.07 3.69 0.13 0.29 0.52 -1.26 0.25 118.94 122.48 1pg3 s TRP 236 Ca 0.01 1.67 -0.23 0.00 0.02 0.00 0.00 56.10 57.56 1pg3 s TRP 236 Cb -0.01 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 1pg3 s TRP 236 CO -0.00 -0.24 1.66 2.35 0.02 0.00 0.00 176.95 180.74 1pg3 h TRP 237 N 5.67 -0.49 -0.69 -1.98 2.91 -0.45 -2.50 115.95 118.42 1pg3 h TRP 237 Ca -0.43 0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.70 1pg3 h TRP 237 Cb 1.21 0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 30.03 1pg3 h TRP 237 CO 0.65 -0.27 0.35 -0.09 -1.03 0.00 0.00 178.44 178.05 1pg3 h ARG 238 N -0.26 0.58 -0.43 2.65 2.43 -1.93 -1.76 114.38 115.66 1pg3 h ARG 238 Ca 0.08 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1pg3 h ARG 238 Cb 0.38 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1pg3 h ARG 238 CO -0.24 0.39 0.04 -0.44 -1.51 0.00 0.00 179.97 178.21 1pg3 h ASP 239 N 0.60 0.62 0.06 -3.80 3.32 -1.87 -2.84 116.42 112.50 1pg3 h ASP 239 Ca 0.34 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1pg3 h ASP 239 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1pg3 h ASP 239 CO -0.25 0.66 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.83 1pg3 h LEU 240 N 0.64 -0.06 -1.87 1.55 3.38 -1.01 -3.30 115.31 114.64 1pg3 h LEU 240 Ca 0.14 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1pg3 h LEU 240 Cb 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pg3 h LEU 240 CO 0.01 0.65 0.12 -0.29 0.09 0.00 0.00 178.44 179.02 1pg3 h ILE 241 N -0.92 1.01 0.00 1.22 2.10 -1.41 -0.73 117.51 118.79 1pg3 h ILE 241 Ca -0.01 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1pg3 h ILE 241 Cb 0.61 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1pg3 h ILE 241 CO 0.01 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 176.50 1pg3 n GLU 242 N -4.51 0.18 0.00 2.19 1.02 -1.07 -2.65 120.64 115.79 1pg3 n GLU 242 Ca 0.00 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.51 1pg3 n GLU 242 Cb 0.12 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1pg3 n GLU 242 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pg3 n LYS 243 N -2.08 0.02 -3.24 3.49 4.76 -0.30 -4.96 118.16 115.85 1pg3 n LYS 243 Ca 0.04 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.16 1pg3 n LYS 243 Cb 0.32 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 1pg3 n LYS 243 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pg3 s ALA 244 N -3.01 3.41 0.23 7.82 0.00 -1.06 -5.06 121.76 124.08 1pg3 s ALA 244 Ca 0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1pg3 s ALA 244 Cb 0.16 -2.65 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1pg3 s ALA 244 CO 0.85 0.40 1.04 0.45 0.00 0.00 0.00 175.76 178.49 1pg3 s SER 245 N -2.30 7.41 -0.02 0.00 0.15 -1.26 -4.89 113.70 112.78 1pg3 s SER 245 Ca 0.52 2.08 0.04 0.00 0.70 0.00 0.00 55.95 59.29 1pg3 s SER 245 Cb -0.11 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.74 1pg3 s SER 245 CO 0.19 -0.06 0.98 -0.81 1.20 0.00 0.00 173.24 174.73 1pg3 n PRO 246 N 1.73 1.53 -3.65 5.44 -0.04 -1.26 -3.70 135.00 135.05 1pg3 n PRO 246 Ca -0.00 -0.59 -0.40 0.00 -0.04 0.00 0.00 63.50 62.47 1pg3 n PRO 246 Cb 0.46 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.63 2.78 -0.14 0.54 0.41 -1.26 -4.67 118.70 114.72 1pg3 s GLU 247 Ca 0.11 -1.10 -0.05 0.00 -0.41 0.00 0.00 54.97 53.51 1pg3 s GLU 247 Cb 0.07 -3.64 0.07 0.00 -1.78 0.00 0.00 34.13 28.85 1pg3 s GLU 247 CO 0.06 -0.68 0.30 -1.58 -0.49 0.00 0.00 175.26 172.87 1pg3 s HIS 248 N 1.51 -0.49 -0.22 1.61 2.46 -1.26 -4.98 115.29 113.92 1pg3 s HIS 248 Ca 0.01 1.06 -0.20 0.00 0.47 0.00 0.00 55.06 56.40 1pg3 s HIS 248 Cb -0.19 0.06 -0.02 0.00 -0.13 0.00 0.00 32.58 32.29 1pg3 s HIS 248 CO 0.05 -0.36 0.61 -0.65 -2.47 0.00 0.00 174.74 171.93 1pg3 s GLN 249 N 2.21 4.16 0.21 2.88 -1.52 -1.26 -5.00 119.66 121.35 1pg3 s GLN 249 Ca -0.02 0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 53.64 1pg3 s GLN 249 Cb -0.12 -3.61 -0.10 0.00 -0.22 0.00 0.00 33.01 28.97 1pg3 s GLN 249 CO -0.10 -0.30 1.43 -2.14 -0.25 0.00 0.00 175.29 173.94 1pg3 s PRO 250 N 2.11 4.28 0.17 2.91 0.02 -1.26 -5.01 135.00 138.22 1pg3 s PRO 250 Ca 0.27 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 1pg3 s PRO 250 Cb -0.16 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1pg3 s PRO 250 CO 0.09 -0.42 0.34 -1.21 -0.33 0.00 0.00 177.00 175.47 1pg3 s GLU 251 N 0.04 3.50 0.22 5.54 0.41 -1.26 -5.06 118.70 122.09 1pg3 s GLU 251 Ca 0.61 -0.40 -0.30 0.00 -0.41 0.00 0.00 54.97 54.47 1pg3 s GLU 251 Cb -0.41 -2.89 -0.09 0.00 -1.78 0.00 0.00 34.13 28.96 1pg3 s GLU 251 CO 0.39 0.46 1.29 0.00 -0.49 0.00 0.00 175.26 176.92 1pg3 s ALA 252 N -1.78 3.51 0.04 5.21 0.00 -1.26 -4.68 121.76 122.80 1pg3 s ALA 252 Ca 0.37 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1pg3 s ALA 252 Cb -0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1pg3 s ALA 252 CO 0.28 -0.52 -0.21 -1.64 0.00 0.00 0.00 175.76 173.67 1pg3 s MET 253 N -0.43 1.97 0.60 0.00 -1.94 0.28 -4.89 119.30 114.90 1pg3 s MET 253 Ca 0.55 -1.03 -0.17 0.00 -1.71 0.00 0.00 55.69 53.33 1pg3 s MET 253 Cb -0.37 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 1pg3 s MET 253 CO 0.40 0.53 1.09 -0.80 -0.01 0.00 0.00 175.02 176.23 1pg3 s ASN 254 N -1.33 5.58 0.39 3.03 0.01 -1.26 -0.41 114.94 120.95 1pg3 s ASN 254 Ca 0.13 1.96 0.09 0.00 -0.71 0.00 0.00 52.86 54.33 1pg3 s ASN 254 Cb -0.10 -2.55 0.86 0.00 0.41 0.00 0.00 41.25 39.87 1pg3 s ASN 254 CO 0.04 -1.31 1.97 0.00 -1.51 0.00 0.00 177.10 176.29 1pg3 h ALA 255 N 0.53 1.83 -0.65 0.60 0.00 -1.53 -1.97 119.26 118.08 1pg3 h ALA 255 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pg3 h ALA 255 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pg3 h ALA 255 CO 0.56 0.05 0.00 0.39 0.00 0.00 0.00 179.25 180.25 1pg3 n GLU 256 N -4.48 3.04 -2.20 0.00 -0.58 -1.26 -0.64 120.64 114.52 1pg3 n GLU 256 Ca 0.10 -2.55 -0.41 0.00 -0.42 0.00 0.00 57.16 53.88 1pg3 n GLU 256 Cb 0.29 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 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 -0.93 6.88 0.26 1.62 1.01 -0.74 -4.75 116.67 120.01 1pg3 s ASP 257 Ca 0.47 2.53 -0.31 0.00 0.71 0.00 0.00 52.55 55.95 1pg3 s ASP 257 Cb 0.27 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.45 1pg3 s ASP 257 CO 0.27 -0.48 1.65 -2.16 0.21 0.00 0.00 175.17 174.66 1pg3 s PRO 258 N -1.10 4.12 -0.26 8.23 0.04 -1.26 -2.22 135.00 142.55 1pg3 s PRO 258 Ca 0.51 2.59 -0.15 0.00 0.04 0.00 0.00 61.00 63.99 1pg3 s PRO 258 Cb -0.38 -3.05 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 1pg3 s PRO 258 CO 0.46 -0.68 -0.23 -0.11 0.04 0.00 0.00 177.00 176.47 1pg3 n LEU 259 N 2.96 1.97 -3.79 -3.56 7.94 0.43 -4.56 117.00 118.39 1pg3 n LEU 259 Ca 0.11 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.31 1pg3 n LEU 259 Cb 0.36 -0.85 -0.01 0.00 0.53 0.00 0.00 43.42 43.45 1pg3 n LEU 259 CO 0.64 0.53 0.64 0.72 -1.11 0.00 0.00 177.39 178.81 1pg3 s PHE 260 N -2.48 -0.14 0.02 1.96 -0.12 -1.09 -3.02 117.98 113.10 1pg3 s PHE 260 Ca -0.37 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 56.32 1pg3 s PHE 260 Cb 0.13 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 43.17 1pg3 s PHE 260 CO 0.52 -0.96 -0.08 0.96 -0.05 0.00 0.00 175.22 175.61 1pg3 s ILE 261 N -3.46 0.61 -0.12 -4.49 -4.36 -0.91 -1.61 121.20 106.85 1pg3 s ILE 261 Ca 0.12 -0.66 -0.01 0.00 -0.26 0.00 0.00 60.65 59.85 1pg3 s ILE 261 Cb -0.03 -0.57 0.03 0.00 1.25 0.00 0.00 42.46 43.14 1pg3 s ILE 261 CO 0.04 -0.06 -0.06 -0.76 0.24 0.00 0.00 174.94 174.34 1pg3 s LEU 262 N -0.79 1.18 -0.10 0.37 1.43 0.05 -4.05 118.68 116.77 1pg3 s LEU 262 Ca -0.02 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1pg3 s LEU 262 Cb -0.06 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 1pg3 s LEU 262 CO 0.00 -0.14 1.35 -0.31 0.23 0.00 0.00 176.35 177.48 1pg3 s TYR 263 N 1.73 2.74 -0.01 0.29 1.51 -1.25 -0.92 117.35 121.44 1pg3 s TYR 263 Ca 0.04 0.86 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 1pg3 s TYR 263 Cb -0.13 -3.59 -0.02 0.00 -0.11 0.00 0.00 41.96 38.11 1pg3 s TYR 263 CO -0.08 -2.16 -0.20 0.99 -1.11 0.00 0.00 175.55 172.99 1pg3 s THR 264 N 3.22 1.60 0.38 -0.71 2.01 0.40 -4.84 115.64 117.70 1pg3 s THR 264 Ca 0.60 -0.90 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 1pg3 s THR 264 Cb -0.26 -1.34 -0.09 0.00 0.01 0.00 0.00 72.50 70.83 1pg3 s THR 264 CO 0.20 0.42 1.19 -0.44 -0.69 0.00 0.00 174.62 175.30 1pg3 s SER 265 N -0.56 6.60 0.40 3.53 0.01 -1.26 -1.21 113.70 121.20 1pg3 s SER 265 Ca 0.08 2.40 0.04 0.00 1.31 0.00 0.00 55.95 59.77 1pg3 s SER 265 Cb -0.08 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1pg3 s SER 265 CO -0.00 -0.63 0.06 -0.83 0.41 0.00 0.00 173.24 172.24 1pg3 s GLY 266 N -1.02 2.48 0.45 3.44 0.00 -1.26 -4.78 107.32 106.62 1pg3 s GLY 266 Ca 0.55 -1.58 0.13 0.00 0.00 0.00 0.00 44.72 43.83 1pg3 s GLY 266 CO 0.41 -1.95 2.03 0.23 0.00 0.00 0.00 173.10 173.82 1pg3 h SER 267 N 1.82 0.30 -4.24 1.64 0.87 -1.97 -3.38 113.55 108.60 1pg3 h SER 267 Ca -0.41 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.84 1pg3 h SER 267 Cb 1.26 -0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 63.01 1pg3 h SER 267 CO 0.70 0.20 -0.67 0.42 -0.53 0.00 0.00 176.83 176.94 1pg3 s THR 268 N -5.33 0.86 0.12 2.23 -4.23 -1.26 -4.09 115.64 103.93 1pg3 s THR 268 Ca -0.07 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1pg3 s THR 268 Cb 0.19 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1pg3 s THR 268 CO 0.73 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1pg3 n GLY 269 N -0.28 -1.66 3.94 3.99 0.00 -1.26 -4.88 105.19 105.03 1pg3 n GLY 269 Ca -0.07 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1pg3 n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg3 s LYS 270 N -0.93 2.67 0.24 1.61 1.02 -1.26 -4.10 119.74 119.00 1pg3 s LYS 270 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 1pg3 s LYS 270 Cb 0.00 -2.35 -0.14 0.00 -0.52 0.00 0.00 37.83 34.82 1pg3 s LYS 270 CO 0.00 -0.77 1.23 -2.30 -0.92 0.00 0.00 175.35 172.59 1pg3 n PRO 271 N -2.53 1.64 -4.01 -1.68 -0.02 -1.26 -4.68 135.00 122.46 1pg3 n PRO 271 Ca 0.06 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1pg3 n PRO 271 Cb 0.59 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.85 3.12 -1.14 -0.52 -0.14 -0.35 -4.71 119.74 115.14 1pg3 s LYS 272 Ca 0.66 -0.67 -0.20 0.00 -1.36 0.00 0.00 55.97 54.40 1pg3 s LYS 272 Cb -0.71 -2.82 0.08 0.00 -1.68 0.00 0.00 37.83 32.70 1pg3 s LYS 272 CO 0.54 0.54 1.54 0.20 -0.76 0.00 0.00 175.35 177.41 1pg3 s GLY 273 N -2.81 1.58 0.16 -3.33 0.00 -1.26 -0.45 107.32 101.21 1pg3 s GLY 273 Ca 0.32 -2.68 -0.31 0.00 0.00 0.00 0.00 44.72 42.05 1pg3 s GLY 273 CO 0.25 2.59 1.80 0.14 0.00 0.00 0.00 173.10 177.87 1pg3 s VAL 274 N 4.15 2.28 -0.12 1.40 1.01 -0.10 -0.18 120.40 128.85 1pg3 s VAL 274 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1pg3 s VAL 274 Cb 0.01 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1pg3 s VAL 274 CO -0.02 0.00 -0.12 -0.22 0.00 0.00 0.00 175.10 174.74 1pg3 s LEU 275 N 2.10 2.76 -0.03 3.92 0.20 0.35 -0.77 118.68 127.21 1pg3 s LEU 275 Ca 0.79 -0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.37 1pg3 s LEU 275 Cb -0.48 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.64 1pg3 s LEU 275 CO 0.35 0.19 -0.19 -1.00 -0.29 0.00 0.00 176.35 175.41 1pg3 s HIS 276 N 0.19 2.56 0.00 5.38 3.76 -0.63 -0.98 115.29 125.57 1pg3 s HIS 276 Ca -0.07 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1pg3 s HIS 276 Cb -0.15 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1pg3 s HIS 276 CO 0.05 0.12 0.00 0.25 -0.85 0.00 0.00 174.74 174.31 1pg3 n THR 277 N 2.28 0.00 -0.09 1.30 -2.24 -1.26 -0.43 114.28 113.85 1pg3 n THR 277 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1pg3 n THR 277 Cb 0.52 -1.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.32 1.48 0.00 4.28 -1.04 -0.94 -4.24 114.28 113.50 1pg3 n THR 278 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1pg3 n THR 278 Cb 0.00 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.24 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 1.48 -3.12 0.37 3.41 0.00 0.18 -1.49 105.19 106.03 1pg3 n GLY 279 Ca -0.19 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 1.58 0.99 -0.02 0.00 -1.79 -0.82 103.07 103.01 1pg3 h GLY 280 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1pg3 h GLY 280 CO 0.00 -0.10 -0.18 -1.82 0.00 0.00 0.00 176.54 174.44 1pg3 h TYR 281 N 0.61 -0.47 -0.55 5.60 3.20 -1.58 0.44 116.97 124.22 1pg3 h TYR 281 Ca 0.58 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.37 1pg3 h TYR 281 Cb 1.11 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1pg3 h TYR 281 CO -0.00 -0.29 0.05 1.25 -1.64 0.00 0.00 178.16 177.53 1pg3 h LEU 282 N -0.52 0.87 -0.08 2.82 5.85 -0.54 -0.35 115.31 123.36 1pg3 h LEU 282 Ca -0.05 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1pg3 h LEU 282 Cb 0.40 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1pg3 h LEU 282 CO 0.09 0.90 0.04 0.58 -0.34 0.00 0.00 178.44 179.70 1pg3 h VAL 283 N 0.85 1.11 -0.63 1.05 2.07 -1.06 -1.95 116.25 117.69 1pg3 h VAL 283 Ca 0.17 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1pg3 h VAL 283 Cb 0.43 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1pg3 h VAL 283 CO 0.01 0.10 0.18 0.22 0.02 0.00 0.00 177.57 178.10 1pg3 h TYR 284 N 0.00 0.99 -0.24 1.57 5.03 -0.66 -0.95 116.97 122.72 1pg3 h TYR 284 Ca 0.03 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 1pg3 h TYR 284 Cb 0.12 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 1pg3 h TYR 284 CO -0.03 0.80 -0.05 0.00 -1.32 0.00 0.00 178.16 177.56 1pg3 h ALA 285 N 1.27 0.32 -0.07 1.82 0.00 -0.95 -1.29 119.26 120.37 1pg3 h ALA 285 Ca 0.21 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1pg3 h ALA 285 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pg3 h ALA 285 CO -0.01 0.11 -0.59 0.00 0.00 0.00 0.00 179.25 178.76 1pg3 h ALA 286 N 0.76 0.87 -0.03 0.00 0.00 -1.28 -1.63 119.26 117.95 1pg3 h ALA 286 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pg3 h ALA 286 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pg3 h ALA 286 CO 0.02 0.72 -0.07 1.15 0.00 0.00 0.00 179.25 181.07 1pg3 h THR 287 N 0.17 1.46 0.12 0.00 2.02 -1.13 -1.95 112.91 113.60 1pg3 h THR 287 Ca -0.00 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1pg3 h THR 287 Cb 1.09 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1pg3 h THR 287 CO 0.09 0.40 -0.06 0.71 0.37 0.00 0.00 175.52 177.03 1pg3 h THR 288 N -0.46 0.93 -0.38 3.16 1.35 -1.28 -2.01 112.91 114.22 1pg3 h THR 288 Ca -0.00 -0.18 0.07 0.00 -0.55 0.00 0.00 66.41 65.75 1pg3 h THR 288 Cb 0.68 1.04 -0.07 0.00 -1.73 0.00 0.00 68.15 68.08 1pg3 h THR 288 CO 0.02 0.04 -0.07 0.15 -0.25 0.00 0.00 175.52 175.41 1pg3 h PHE 289 N -0.25 -0.15 0.56 4.73 3.57 -1.38 0.02 116.94 124.04 1pg3 h PHE 289 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1pg3 h PHE 289 Cb 0.20 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1pg3 h PHE 289 CO -0.04 -0.14 -0.42 -0.22 -2.23 0.00 0.00 178.31 175.25 1pg3 h LYS 290 N 0.03 -0.92 -0.13 1.11 3.64 -1.23 -2.41 116.57 116.64 1pg3 h LYS 290 Ca 0.18 0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.45 1pg3 h LYS 290 Cb 0.27 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1pg3 h LYS 290 CO -0.37 -0.62 -0.65 1.88 -2.27 0.00 0.00 179.45 177.42 1pg3 h TYR 291 N -0.96 0.67 0.00 1.91 0.99 -1.25 -0.55 116.97 117.79 1pg3 h TYR 291 Ca -0.06 -0.27 -0.22 0.00 2.00 0.00 0.00 58.73 60.17 1pg3 h TYR 291 Cb 0.81 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 38.42 1pg3 h TYR 291 CO -0.16 1.02 -0.93 0.28 -0.00 0.00 0.00 178.16 178.37 1pg3 h VAL 292 N 0.37 1.42 -0.24 -2.88 2.07 -1.06 -3.10 116.25 112.83 1pg3 h VAL 292 Ca -0.02 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1pg3 h VAL 292 Cb 1.22 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1pg3 h VAL 292 CO 0.12 0.74 0.00 0.49 0.02 0.00 0.00 177.57 178.94 1pg3 n PHE 293 N -3.72 0.30 -4.01 1.57 3.01 -0.91 -4.32 117.46 109.38 1pg3 n PHE 293 Ca -0.06 -0.15 -0.27 0.00 1.01 0.00 0.00 57.45 57.98 1pg3 n PHE 293 Cb 0.83 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.27 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 1.11 -0.57 -4.70 4.37 -0.08 -0.54 -4.83 116.55 111.32 1pg3 n ASP 294 Ca 0.18 -1.03 -0.42 0.00 -1.51 0.00 0.00 54.79 52.01 1pg3 n ASP 294 Cb 0.53 -2.90 -0.03 0.00 2.34 0.00 0.00 41.12 41.05 1pg3 n ASP 294 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1pg3 s TYR 295 N -3.92 2.57 -0.04 -0.67 5.04 -0.33 -4.91 117.35 115.09 1pg3 s TYR 295 Ca 0.09 0.27 0.07 0.00 -2.44 0.00 0.00 57.07 55.06 1pg3 s TYR 295 Cb -0.05 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 38.18 1pg3 s TYR 295 CO 0.90 -4.20 -0.25 -1.01 -1.34 0.00 0.00 175.55 169.65 1pg3 s HIS 296 N 2.05 2.35 0.16 4.97 3.76 -1.26 -4.98 115.29 122.35 1pg3 s HIS 296 Ca 0.76 -0.60 -0.33 0.00 -0.15 0.00 0.00 55.06 54.74 1pg3 s HIS 296 Cb -0.45 -1.53 -0.16 0.00 1.11 0.00 0.00 32.58 31.55 1pg3 s HIS 296 CO 0.33 -0.14 1.18 -0.35 -0.85 0.00 0.00 174.74 174.91 1pg3 n PRO 297 N 2.75 1.17 0.00 8.40 -0.04 -1.26 -1.16 135.00 144.86 1pg3 n PRO 297 Ca -0.17 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1pg3 n PRO 297 Cb 0.52 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1pg3 n PRO 297 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pg3 n GLY 298 N 2.06 2.43 3.75 0.55 0.00 -1.26 -5.07 105.19 107.66 1pg3 n GLY 298 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.45 6.91 -0.41 1.61 1.01 -0.31 -4.98 116.67 119.04 1pg3 s ASP 299 Ca 0.00 2.49 -0.18 0.00 0.71 0.00 0.00 52.55 55.57 1pg3 s ASP 299 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1pg3 s ASP 299 CO 0.00 -0.47 0.51 -0.63 0.21 0.00 0.00 175.17 174.79 1pg3 s ILE 300 N -0.58 5.00 -0.14 0.77 -1.09 -1.26 -4.00 121.20 119.90 1pg3 s ILE 300 Ca 0.52 -0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.78 1pg3 s ILE 300 Cb -0.37 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1pg3 s ILE 300 CO 0.44 -0.43 0.06 -0.47 -1.23 0.00 0.00 174.94 173.31 1pg3 s TYR 301 N 2.37 3.31 -0.22 3.97 6.14 -0.50 -0.84 117.35 131.58 1pg3 s TYR 301 Ca 0.16 0.22 -0.02 0.00 0.64 0.00 0.00 57.07 58.07 1pg3 s TYR 301 Cb -0.16 -1.96 0.07 0.00 0.42 0.00 0.00 41.96 40.33 1pg3 s TYR 301 CO 0.15 0.39 0.03 -0.46 0.64 0.00 0.00 175.55 176.31 1pg3 s TRP 302 N -0.34 1.38 -0.22 4.97 -0.00 0.57 -0.59 118.94 124.70 1pg3 s TRP 302 Ca 0.09 -1.17 -0.09 0.00 -0.00 0.00 0.00 56.10 54.92 1pg3 s TRP 302 Cb -0.12 -1.25 -0.05 0.00 -0.00 0.00 0.00 33.47 32.06 1pg3 s TRP 302 CO 0.02 -0.69 0.12 0.00 -0.00 0.00 0.00 176.95 176.40 1pg3 n THR 304 N 4.00 0.00 -1.76 0.00 -2.24 -0.78 -4.72 114.28 108.78 1pg3 n THR 304 Ca -0.16 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1pg3 n THR 304 Cb 0.52 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.22 2.11 -1.77 6.98 0.00 -1.26 -4.94 120.51 120.41 1pg3 n ALA 305 Ca 0.08 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 1pg3 n ALA 305 Cb 0.33 -2.38 0.01 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.23 5.88 0.64 0.00 -1.08 -1.26 -4.54 116.67 116.08 1pg3 s ASP 306 Ca 0.55 2.40 0.41 0.00 -0.52 0.00 0.00 52.55 55.40 1pg3 s ASP 306 Cb -0.49 -2.61 2.24 0.00 -1.46 0.00 0.00 42.92 40.61 1pg3 s ASP 306 CO 0.62 -1.12 2.32 1.62 0.52 0.00 0.00 175.17 179.13 1pg3 h VAL 307 N 1.68 0.09 0.00 1.11 3.04 -1.92 -2.01 116.25 118.24 1pg3 h VAL 307 Ca -0.50 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1pg3 h VAL 307 Cb 1.26 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1pg3 h VAL 307 CO 0.59 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.76 1pg3 n GLY 308 N -1.01 -1.40 3.85 3.17 0.00 -1.26 -4.20 105.19 104.35 1pg3 n GLY 308 Ca -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.90 3.18 0.35 1.61 0.23 -0.76 -4.30 118.94 116.34 1pg3 s TRP 309 Ca 0.16 -0.09 0.08 0.00 -2.03 0.00 0.00 56.10 54.23 1pg3 s TRP 309 Cb 0.18 -1.44 0.78 0.00 0.03 0.00 0.00 33.47 33.02 1pg3 s TRP 309 CO 0.49 0.51 1.88 -0.24 0.96 0.00 0.00 176.95 180.54 1pg3 h VAL 310 N 1.48 0.87 -0.83 4.03 3.04 -1.88 0.10 116.25 123.06 1pg3 h VAL 310 Ca -0.49 -0.25 0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1pg3 h VAL 310 Cb 1.23 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.54 1pg3 h VAL 310 CO 0.61 0.13 0.55 0.74 -1.01 0.00 0.00 177.57 178.59 1pg3 h THR 311 N 0.73 1.18 -0.60 3.17 2.02 -1.95 0.90 112.91 118.37 1pg3 h THR 311 Ca 0.44 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1pg3 h THR 311 Cb 0.64 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1pg3 h THR 311 CO -0.20 0.20 0.01 1.23 0.37 0.00 0.00 175.52 177.13 1pg3 h GLY 312 N 1.09 1.14 0.63 2.16 0.00 -0.81 0.35 103.07 107.63 1pg3 h GLY 312 Ca 0.32 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1pg3 h GLY 312 CO -0.08 0.77 -0.03 0.45 0.00 0.00 0.00 176.54 177.65 1pg3 h HIS 313 N 0.96 -0.09 0.07 5.60 3.86 -0.68 -2.84 115.15 122.03 1pg3 h HIS 313 Ca 0.17 -0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.09 1pg3 h HIS 313 Cb 0.55 0.03 0.03 0.00 1.06 0.00 0.00 27.41 29.07 1pg3 h HIS 313 CO 0.04 0.28 -1.17 0.77 0.86 0.00 0.00 177.93 178.71 1pg3 h SER 314 N -0.47 0.90 -0.01 2.45 0.02 -0.83 -2.63 113.55 112.99 1pg3 h SER 314 Ca -0.01 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1pg3 h SER 314 Cb 0.41 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1pg3 h SER 314 CO 0.02 1.59 0.00 -1.22 -1.14 0.00 0.00 176.83 176.07 1pg3 n TYR 315 N -3.82 0.02 -0.03 3.45 4.02 0.12 -1.17 117.16 119.76 1pg3 n TYR 315 Ca -0.13 -0.98 -0.05 0.00 -0.01 0.00 0.00 57.90 56.73 1pg3 n TYR 315 Cb 0.95 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 40.09 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 -1.39 2.18 0.00 7.72 7.94 -1.08 -4.56 117.00 127.80 1pg3 n LEU 316 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1pg3 n LEU 316 Cb 0.64 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1pg3 n LEU 316 CO 0.01 0.45 0.00 0.18 -1.11 0.00 0.00 177.39 176.92 1pg3 n LEU 317 N -2.86 0.00 0.28 -1.96 4.77 -1.15 -4.76 117.00 111.31 1pg3 n LEU 317 Ca -0.11 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 1pg3 n LEU 317 Cb 0.60 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1pg3 n LEU 317 CO 0.04 -0.31 0.56 1.88 -1.33 0.00 0.00 177.39 178.23 1pg3 h TYR 318 N 0.00 -1.27 -0.09 -1.77 0.05 -1.66 0.69 116.97 112.92 1pg3 h TYR 318 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1pg3 h TYR 318 Cb 0.00 0.49 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 1pg3 h TYR 318 CO 0.00 -0.63 -0.21 0.78 -1.05 0.00 0.00 178.16 177.06 1pg3 h GLY 319 N -0.94 -0.22 1.69 3.88 0.00 -1.34 -1.21 103.07 104.92 1pg3 h GLY 319 Ca -0.05 0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 1pg3 h GLY 319 CO -0.06 -0.18 -0.64 -0.56 0.00 0.00 0.00 176.54 175.10 1pg3 h PRO 320 N -0.28 0.32 -0.14 4.80 0.13 -1.75 -3.06 132.00 132.01 1pg3 h PRO 320 Ca 0.09 -0.23 -0.15 0.00 -0.87 0.00 0.00 66.00 64.84 1pg3 h PRO 320 Cb 0.41 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1pg3 h PRO 320 CO -0.26 0.85 -0.55 -0.07 -0.23 0.00 0.00 178.00 177.74 1pg3 h LEU 321 N 0.23 0.47 -1.49 1.56 3.38 -0.76 0.20 115.31 118.90 1pg3 h LEU 321 Ca -0.01 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1pg3 h LEU 321 Cb 1.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1pg3 h LEU 321 CO 0.10 0.93 0.36 0.00 0.09 0.00 0.00 178.44 179.92 1pg3 h ALA 322 N 1.08 1.65 -0.11 1.53 0.00 -1.21 0.41 119.26 122.62 1pg3 h ALA 322 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pg3 h ALA 322 Cb 1.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pg3 h ALA 322 CO 0.10 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1pg3 n GLY 324 N 1.08 0.29 3.93 0.00 0.00 0.13 -5.01 105.19 105.62 1pg3 n GLY 324 Ca 0.17 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.42 3.24 -0.34 4.61 0.00 0.02 -4.93 121.76 121.95 1pg3 s ALA 325 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1pg3 s ALA 325 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1pg3 s ALA 325 CO 0.00 -1.09 0.29 0.99 0.00 0.00 0.00 175.76 175.95 1pg3 s THR 326 N -3.13 5.24 -0.07 0.00 2.01 -1.26 -4.65 115.64 113.79 1pg3 s THR 326 Ca 0.58 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1pg3 s THR 326 Cb -0.11 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1pg3 s THR 326 CO 0.45 -0.04 -0.08 0.28 -0.69 0.00 0.00 174.62 174.54 1pg3 s THR 327 N 1.84 3.61 -0.20 -0.82 -1.32 -0.25 -1.40 115.64 117.09 1pg3 s THR 327 Ca 0.08 -0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1pg3 s THR 327 Cb -0.17 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 1pg3 s THR 327 CO 0.11 0.60 0.09 -0.22 -2.21 0.00 0.00 174.62 172.99 1pg3 s LEU 328 N -0.79 3.91 -0.32 9.08 0.20 0.24 -1.13 118.68 129.88 1pg3 s LEU 328 Ca 0.12 0.09 -0.04 0.00 0.69 0.00 0.00 54.13 54.99 1pg3 s LEU 328 Cb -0.11 -2.01 0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1pg3 s LEU 328 CO 0.01 0.14 0.05 -0.32 -0.29 0.00 0.00 176.35 175.95 1pg3 s MET 329 N 0.56 2.59 -0.08 1.98 -2.45 0.19 -4.09 119.30 118.00 1pg3 s MET 329 Ca 0.05 -1.18 -0.17 0.00 -1.25 0.00 0.00 55.69 53.14 1pg3 s MET 329 Cb -0.12 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.59 1pg3 s MET 329 CO 0.01 -0.62 0.46 0.12 1.05 0.00 0.00 175.02 176.04 1pg3 s PHE 330 N 1.35 3.59 0.04 4.11 5.36 -1.26 -2.01 117.98 129.15 1pg3 s PHE 330 Ca -0.03 0.93 -0.05 0.00 -0.96 0.00 0.00 56.93 56.82 1pg3 s PHE 330 Cb -0.19 -2.47 -0.29 0.00 -0.34 0.00 0.00 43.02 39.73 1pg3 s PHE 330 CO 0.01 0.32 1.01 1.49 -1.46 0.00 0.00 175.22 176.59 1pg3 h GLU 331 N 6.06 0.29 0.00 10.12 4.81 -1.25 -3.46 114.58 131.15 1pg3 h GLU 331 Ca -0.44 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.29 1pg3 h GLU 331 Cb 1.19 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1pg3 h GLU 331 CO 0.71 1.20 0.00 0.41 -0.73 0.00 0.00 179.01 180.61 1pg3 n GLY 332 N 1.61 1.81 3.47 1.92 0.00 -1.26 -4.67 105.19 108.06 1pg3 n GLY 332 Ca -0.13 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 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 4.37 2.62 0.57 1.61 -7.23 -1.26 -4.92 120.40 116.16 1pg3 s VAL 333 Ca 0.00 -1.87 0.28 0.00 -1.81 0.00 0.00 61.98 58.58 1pg3 s VAL 333 Cb 0.00 -2.26 0.39 0.00 0.56 0.00 0.00 36.38 35.07 1pg3 s VAL 333 CO 0.00 -0.09 1.94 -0.65 -0.31 0.00 0.00 175.10 175.99 1pg3 h PRO 334 N 3.20 0.00 -0.44 4.82 0.11 -1.97 -3.04 132.00 134.68 1pg3 h PRO 334 Ca -0.47 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 1pg3 h PRO 334 Cb 1.20 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 1pg3 h PRO 334 CO 0.49 0.00 -0.71 0.27 -0.21 0.00 0.00 178.00 177.83 1pg3 n ASN 335 N -3.91 3.53 -3.89 -2.05 2.04 -1.26 -1.48 115.26 108.25 1pg3 n ASN 335 Ca 0.09 -3.71 -0.19 0.00 -0.44 0.00 0.00 54.58 50.33 1pg3 n ASN 335 Cb 0.65 -0.41 -0.16 0.00 -2.53 0.00 0.00 39.78 37.32 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 -3.39 0.60 0.48 -2.53 -0.00 -1.15 -3.41 118.94 109.54 1pg3 s TRP 336 Ca 0.45 -0.14 0.17 0.00 -0.00 0.00 0.00 56.10 56.58 1pg3 s TRP 336 Cb 0.39 -0.55 1.18 0.00 -0.00 0.00 0.00 33.47 34.50 1pg3 s TRP 336 CO -0.01 -0.15 2.07 -1.35 -0.00 0.00 0.00 176.95 177.52 1pg3 h PRO 337 N 7.01 0.00 -5.03 5.86 0.11 -1.89 -3.44 132.00 134.62 1pg3 h PRO 337 Ca -0.38 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.38 1pg3 h PRO 337 Cb 1.15 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 1pg3 h PRO 337 CO 0.48 0.10 -0.68 0.95 -0.21 0.00 0.00 178.00 178.64 1pg3 s THR 338 N -4.76 1.03 -0.83 -1.15 -4.23 -1.22 -5.03 115.64 99.45 1pg3 s THR 338 Ca -0.04 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.49 1pg3 s THR 338 Cb 0.16 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1pg3 s THR 338 CO 0.67 -0.52 1.19 -0.81 -0.54 0.00 0.00 174.62 174.61 1pg3 n PRO 339 N -0.30 0.03 -0.15 3.99 -0.04 -1.24 -1.02 135.00 136.28 1pg3 n PRO 339 Ca -0.07 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1pg3 n PRO 339 Cb 0.62 -1.60 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1pg3 n PRO 339 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pg3 n ALA 340 N -1.56 2.47 -0.00 0.55 0.00 -1.21 -4.35 120.51 116.41 1pg3 n ALA 340 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 53.44 52.61 1pg3 n ALA 340 Cb 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 3.01 -0.02 -0.56 0.00 9.65 -1.12 -1.17 114.38 124.16 1pg3 h ARG 341 Ca 0.00 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 1pg3 h ARG 341 Cb 0.67 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.17 1pg3 h ARG 341 CO 0.00 -0.01 0.07 1.98 2.80 0.00 0.00 179.97 184.80 1pg3 h MET 342 N -0.02 0.18 0.00 0.20 4.05 -1.47 -0.92 114.93 116.96 1pg3 h MET 342 Ca 0.06 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.33 1pg3 h MET 342 Cb 0.11 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1pg3 h MET 342 CO -0.12 0.12 -0.64 0.00 0.23 0.00 0.00 176.91 176.50 1pg3 h GLN 344 N 0.00 1.17 -0.48 0.00 4.20 0.01 -1.39 115.11 118.61 1pg3 h GLN 344 Ca -0.01 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1pg3 h GLN 344 Cb 1.14 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1pg3 h GLN 344 CO 0.08 0.94 -0.09 0.28 -0.67 0.00 0.00 178.83 179.38 1pg3 h VAL 345 N 1.14 1.26 -0.39 -0.54 2.07 -1.04 0.11 116.25 118.85 1pg3 h VAL 345 Ca 0.26 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1pg3 h VAL 345 Cb 0.21 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1pg3 h VAL 345 CO -0.02 0.41 0.23 0.58 0.02 0.00 0.00 177.57 178.79 1pg3 h VAL 346 N 0.79 1.04 -0.22 2.57 2.07 -0.96 -1.49 116.25 120.05 1pg3 h VAL 346 Ca 0.13 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1pg3 h VAL 346 Cb 0.59 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1pg3 h VAL 346 CO 0.04 0.09 -0.57 0.44 0.02 0.00 0.00 177.57 177.59 1pg3 h ASP 347 N 0.47 0.88 -0.60 0.57 3.32 -1.06 0.21 116.42 120.21 1pg3 h ASP 347 Ca 0.16 -0.57 0.08 0.00 0.02 0.00 0.00 57.03 56.72 1pg3 h ASP 347 Cb 0.01 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.24 1pg3 h ASP 347 CO -0.07 1.29 0.26 0.50 -1.72 0.00 0.00 179.24 179.49 1pg3 h LYS 348 N 0.51 0.45 -0.35 3.56 3.64 -0.48 -2.87 116.57 121.03 1pg3 h LYS 348 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pg3 h LYS 348 Cb 1.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1pg3 h LYS 348 CO 0.12 0.30 0.00 0.72 -2.27 0.00 0.00 179.45 178.32 1pg3 n HIS 349 N -4.95 0.98 -3.97 1.91 8.25 -0.59 -4.99 115.22 111.86 1pg3 n HIS 349 Ca 0.08 -0.75 -0.27 0.00 -0.26 0.00 0.00 57.72 56.53 1pg3 n HIS 349 Cb 0.24 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.00 -2.86 -1.97 -0.41 1.13 -0.18 -4.88 117.38 108.21 1pg3 n GLN 350 Ca 0.20 0.37 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 1pg3 n GLN 350 Cb 0.80 -4.36 -0.02 0.00 0.11 0.00 0.00 30.24 26.77 1pg3 n GLN 350 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pg3 s VAL 351 N -3.96 2.60 -0.04 5.09 1.01 -0.11 -4.61 120.40 120.39 1pg3 s VAL 351 Ca 0.05 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.68 1pg3 s VAL 351 Cb -0.02 -3.31 -0.26 0.00 0.00 0.00 0.00 36.38 32.79 1pg3 s VAL 351 CO 0.90 0.06 0.35 0.59 0.00 0.00 0.00 175.10 177.00 1pg3 n ASN 352 N 2.92 1.02 -3.82 3.32 4.13 -0.02 -2.67 115.26 120.14 1pg3 n ASN 352 Ca 0.09 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.11 1pg3 n ASN 352 Cb 0.39 1.70 -0.17 0.00 -1.54 0.00 0.00 39.78 40.16 1pg3 n ASN 352 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pg3 s ILE 353 N -3.12 0.64 -0.16 2.41 1.01 -0.93 -0.43 121.20 120.62 1pg3 s ILE 353 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1pg3 s ILE 353 Cb 0.10 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 1pg3 s ILE 353 CO 0.72 0.24 -0.13 -0.22 0.00 0.00 0.00 174.94 175.54 1pg3 s LEU 354 N 1.86 2.62 -0.32 2.97 2.96 -0.66 -0.32 118.68 127.79 1pg3 s LEU 354 Ca 0.04 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1pg3 s LEU 354 Cb -0.13 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.05 1pg3 s LEU 354 CO -0.07 0.09 0.07 -0.47 -1.32 0.00 0.00 176.35 174.66 1pg3 s TYR 355 N 0.77 2.65 0.00 5.38 5.04 -0.25 0.26 117.35 131.19 1pg3 s TYR 355 Ca -0.05 -2.29 0.00 0.00 -2.44 0.00 0.00 57.07 52.29 1pg3 s TYR 355 Cb -0.15 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.92 1pg3 s TYR 355 CO 0.01 -0.90 0.00 -2.37 -1.34 0.00 0.00 175.55 170.95 1pg3 n THR 356 N 4.58 0.00 -4.40 4.34 5.66 -0.63 -1.86 114.28 121.97 1pg3 n THR 356 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1pg3 n THR 356 Cb 0.42 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.08 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 2.50 0.36 1.79 0.00 -1.26 -1.70 121.76 121.45 1pg3 s ALA 357 Ca 0.00 -1.40 0.13 0.00 0.00 0.00 0.00 51.96 50.70 1pg3 s ALA 357 Cb 0.00 -0.51 0.96 0.00 0.00 0.00 0.00 23.12 23.57 1pg3 s ALA 357 CO 0.00 0.56 1.79 -1.35 0.00 0.00 0.00 175.76 176.76 1pg3 h PRO 358 N 3.91 0.52 -0.22 0.00 0.11 -1.88 -1.36 132.00 133.08 1pg3 h PRO 358 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1pg3 h PRO 358 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1pg3 h PRO 358 CO 0.42 0.35 0.11 1.15 -0.21 0.00 0.00 178.00 179.82 1pg3 h THR 359 N 0.54 1.13 -0.71 -1.15 2.02 -1.91 0.21 112.91 113.04 1pg3 h THR 359 Ca 0.57 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1pg3 h THR 359 Cb 1.21 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1pg3 h THR 359 CO -0.32 0.13 0.36 0.00 0.37 0.00 0.00 175.52 176.06 1pg3 h ALA 360 N 0.98 0.91 -0.63 6.16 0.00 -1.62 0.11 119.26 125.17 1pg3 h ALA 360 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1pg3 h ALA 360 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1pg3 h ALA 360 CO -0.01 0.46 0.29 0.82 0.00 0.00 0.00 179.25 180.81 1pg3 h ILE 361 N 0.99 1.22 -0.50 0.00 2.04 -1.00 -1.07 117.51 119.19 1pg3 h ILE 361 Ca 0.25 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 1pg3 h ILE 361 Cb 0.09 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1pg3 h ILE 361 CO -0.03 0.26 -0.10 0.03 0.00 0.00 0.00 178.15 178.31 1pg3 h ARG 362 N 0.87 0.95 -0.60 2.37 3.08 -0.18 0.22 114.38 121.09 1pg3 h ARG 362 Ca 0.21 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1pg3 h ARG 362 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1pg3 h ARG 362 CO -0.02 1.02 0.25 0.00 -1.07 0.00 0.00 179.97 180.15 1pg3 h ALA 363 N 0.90 1.32 0.04 0.04 0.00 -0.73 -0.65 119.26 120.18 1pg3 h ALA 363 Ca 0.13 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1pg3 h ALA 363 Cb 0.65 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pg3 h ALA 363 CO 0.04 0.52 -0.80 -0.07 0.00 0.00 0.00 179.25 178.94 1pg3 h LEU 364 N 0.86 0.63 -1.82 0.00 3.38 -1.00 -3.19 115.31 114.17 1pg3 h LEU 364 Ca 0.21 -0.80 0.07 0.00 0.09 0.00 0.00 57.88 57.45 1pg3 h LEU 364 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pg3 h LEU 364 CO -0.02 1.36 0.26 -0.03 0.09 0.00 0.00 178.44 180.10 1pg3 h MET 365 N -0.01 0.21 0.00 1.13 4.05 -0.32 0.29 114.93 120.27 1pg3 h MET 365 Ca -0.11 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1pg3 h MET 365 Cb 1.52 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 1pg3 h MET 365 CO 0.16 0.14 0.00 0.00 0.23 0.00 0.00 176.91 177.44 1pg3 h ALA 366 N 1.80 1.00 -0.67 0.39 0.00 -1.10 -1.71 119.26 118.97 1pg3 h ALA 366 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pg3 h ALA 366 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pg3 h ALA 366 CO -0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1pg3 n GLU 367 N -2.87 2.81 0.00 0.00 -0.58 0.10 -5.05 120.64 115.04 1pg3 n GLU 367 Ca -0.01 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.21 1pg3 n GLU 367 Cb 0.16 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.49 2.24 0.00 0.62 0.00 -0.64 -1.78 105.19 107.11 1pg3 n GLY 368 Ca 0.23 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.50 0.00 0.24 1.61 8.00 -1.26 -2.70 116.55 121.95 1pg3 n ASP 369 Ca 0.00 0.10 0.17 0.00 0.71 0.00 0.00 54.79 55.77 1pg3 n ASP 369 Cb 0.00 -0.29 0.80 0.00 -0.02 0.00 0.00 41.12 41.61 1pg3 n ASP 369 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1pg3 h LYS 370 N 0.00 0.00 0.00 -1.24 6.56 -1.70 -0.05 116.57 120.14 1pg3 h LYS 370 Ca 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 1pg3 h LYS 370 Cb 0.13 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1pg3 h LYS 370 CO 0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 179.45 177.08 1pg3 h ALA 371 N 2.05 0.82 -0.03 3.86 0.00 -1.67 -3.20 119.26 121.09 1pg3 h ALA 371 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pg3 h ALA 371 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pg3 h ALA 371 CO 0.00 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1pg3 n ILE 372 N -3.20 0.75 -1.81 0.00 -5.35 -0.70 -4.03 119.36 105.01 1pg3 n ILE 372 Ca 0.02 -0.87 -0.42 0.00 -0.27 0.00 0.00 62.75 61.21 1pg3 n ILE 372 Cb 0.63 0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.77 4.16 0.00 6.28 2.12 -0.12 -2.18 118.70 128.19 1pg3 s GLU 373 Ca 0.02 2.46 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1pg3 s GLU 373 Cb 0.01 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1pg3 s GLU 373 CO 0.02 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1pg3 n GLY 374 N 4.25 1.21 3.85 -1.50 0.00 -1.26 -4.95 105.19 106.78 1pg3 n GLY 374 Ca 0.18 0.00 -0.24 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 -3.85 4.70 -0.20 2.61 -4.23 -0.93 -5.07 115.64 108.67 1pg3 s THR 375 Ca 0.00 -1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1pg3 s THR 375 Cb 0.00 -3.46 -0.12 0.00 1.34 0.00 0.00 72.50 70.26 1pg3 s THR 375 CO 0.00 -0.21 -0.07 -0.67 -0.54 0.00 0.00 174.62 173.13 1pg3 n ASP 376 N -0.76 1.87 0.00 3.99 -0.08 -1.26 -5.00 116.55 115.31 1pg3 n ASP 376 Ca -0.08 0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1pg3 n ASP 376 Cb 0.56 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1pg3 n ASP 376 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pg3 n ARG 377 N -4.46 -0.68 0.26 -0.67 1.74 -1.26 -4.90 116.66 106.71 1pg3 n ARG 377 Ca -0.27 0.17 0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1pg3 n ARG 377 Cb 0.58 -3.97 0.72 0.00 -1.02 0.00 0.00 32.46 28.78 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 0.90 0.55 0.02 -1.94 -2.94 113.55 110.13 1pg3 h SER 378 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pg3 h SER 378 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1pg3 h SER 378 CO 0.00 0.11 0.00 0.77 -1.14 0.00 0.00 176.83 176.57 1pg3 h SER 379 N 0.00 0.00 -3.90 3.07 4.64 -1.90 -3.45 113.55 112.01 1pg3 h SER 379 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 1pg3 h SER 379 Cb 0.38 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1pg3 h SER 379 CO 0.01 0.00 0.56 -0.76 -0.87 0.00 0.00 176.83 175.77 1pg3 s LEU 380 N -5.85 4.33 0.00 5.97 1.43 -1.09 -3.94 118.68 119.54 1pg3 s LEU 380 Ca 0.01 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1pg3 s LEU 380 Cb 0.09 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1pg3 s LEU 380 CO 0.50 -0.57 0.00 0.54 0.23 0.00 0.00 176.35 177.05 1pg3 n ARG 381 N 0.49 2.09 -4.05 1.70 1.74 0.43 -4.88 116.66 114.18 1pg3 n ARG 381 Ca 0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 1pg3 n ARG 381 Cb 0.44 -0.72 -0.15 0.00 -1.02 0.00 0.00 32.46 31.02 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 -1.31 0.27 0.08 0.55 -1.09 -0.56 -4.02 121.20 115.12 1pg3 s ILE 382 Ca 0.00 -0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.39 1pg3 s ILE 382 Cb 0.00 -0.25 -0.03 0.00 -1.58 0.00 0.00 42.46 40.59 1pg3 s ILE 382 CO 0.00 0.09 -0.24 -0.76 -1.23 0.00 0.00 174.94 172.80 1pg3 s LEU 383 N 0.10 2.24 0.04 2.97 1.43 -0.42 -1.66 118.68 123.38 1pg3 s LEU 383 Ca -0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1pg3 s LEU 383 Cb -0.03 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1pg3 s LEU 383 CO -0.00 0.17 -0.04 -0.83 0.23 0.00 0.00 176.35 175.87 1pg3 s GLY 384 N -1.62 0.39 0.00 -3.19 0.00 0.14 0.46 107.32 103.50 1pg3 s GLY 384 Ca 0.10 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1pg3 s GLY 384 CO 0.04 -0.96 -0.05 -0.45 0.00 0.00 0.00 173.10 171.67 1pg3 s SER 385 N -2.09 0.58 0.15 1.64 0.15 -0.17 -1.60 113.70 112.37 1pg3 s SER 385 Ca -0.05 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.24 1pg3 s SER 385 Cb -0.03 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.29 1pg3 s SER 385 CO -0.04 0.01 0.50 0.54 1.20 0.00 0.00 173.24 175.44 1pg3 s VAL 386 N -0.34 0.04 0.00 4.45 0.11 -0.69 -1.39 120.40 122.57 1pg3 s VAL 386 Ca -0.01 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1pg3 s VAL 386 Cb -0.03 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1pg3 s VAL 386 CO -0.00 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 1pg3 n GLY 387 N -0.31 2.80 3.74 6.54 0.00 -1.26 -4.18 105.19 112.53 1pg3 n GLY 387 Ca -0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 1.47 0.55 1.61 -1.05 -1.26 -4.87 118.70 115.15 1pg3 s GLU 388 Ca 0.00 -0.77 -0.21 0.00 -0.15 0.00 0.00 54.97 53.84 1pg3 s GLU 388 Cb 0.00 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1pg3 s GLU 388 CO 0.00 -0.67 1.32 -2.14 0.95 0.00 0.00 175.26 174.72 1pg3 s PRO 389 N -3.64 3.13 -0.09 -4.83 0.02 -1.26 -4.81 135.00 123.53 1pg3 s PRO 389 Ca 0.10 2.13 -0.00 0.00 0.02 0.00 0.00 61.00 63.25 1pg3 s PRO 389 Cb -0.04 -2.21 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1pg3 s PRO 389 CO 0.02 -1.16 -0.06 -1.50 -0.33 0.00 0.00 177.00 173.97 1pg3 s ILE 390 N -1.36 0.80 0.55 2.83 2.07 -1.26 -4.90 121.20 119.93 1pg3 s ILE 390 Ca 0.72 -0.18 -0.17 0.00 -1.41 0.00 0.00 60.65 59.61 1pg3 s ILE 390 Cb -0.38 -0.84 -0.06 0.00 0.13 0.00 0.00 42.46 41.31 1pg3 s ILE 390 CO 0.44 0.32 1.04 0.54 -1.91 0.00 0.00 174.94 175.37 1pg3 s ASN 391 N 1.54 6.08 0.39 4.50 4.22 -1.26 -4.03 114.94 126.38 1pg3 s ASN 391 Ca 0.00 1.79 0.20 0.00 -2.14 0.00 0.00 52.86 52.72 1pg3 s ASN 391 Cb -0.13 -2.53 1.18 0.00 1.28 0.00 0.00 41.25 41.04 1pg3 s ASN 391 CO -0.05 -0.96 1.70 -0.65 -2.04 0.00 0.00 177.10 175.10 1pg3 h PRO 392 N 0.80 0.29 -0.05 3.55 0.11 -1.94 -0.37 132.00 134.39 1pg3 h PRO 392 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1pg3 h PRO 392 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pg3 h PRO 392 CO 0.59 0.19 0.01 1.49 -0.21 0.00 0.00 178.00 180.07 1pg3 h GLU 393 N 0.30 0.08 -0.31 1.05 4.81 -1.94 0.65 114.58 119.22 1pg3 h GLU 393 Ca 0.69 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.79 1pg3 h GLU 393 Cb 1.83 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1pg3 h GLU 393 CO -0.41 0.31 -0.27 0.00 -0.73 0.00 0.00 179.01 177.90 1pg3 h ALA 394 N 0.77 0.95 -0.30 2.92 0.00 -1.63 -0.98 119.26 120.98 1pg3 h ALA 394 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1pg3 h ALA 394 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pg3 h ALA 394 CO 0.00 0.61 0.14 2.35 0.00 0.00 0.00 179.25 182.35 1pg3 h TRP 395 N 0.54 0.44 -0.43 0.00 7.01 -0.95 -0.03 115.95 122.52 1pg3 h TRP 395 Ca 0.07 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.94 1pg3 h TRP 395 Cb 0.75 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1pg3 h TRP 395 CO 0.03 0.40 -0.17 0.93 -2.79 0.00 0.00 178.44 176.84 1pg3 h GLU 396 N 0.35 0.82 -0.13 2.65 4.39 -0.72 -0.29 114.58 121.65 1pg3 h GLU 396 Ca 0.10 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1pg3 h GLU 396 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1pg3 h GLU 396 CO -0.01 0.93 0.08 2.35 -1.16 0.00 0.00 179.01 181.19 1pg3 h TRP 397 N 0.73 0.17 -0.08 4.33 7.01 -0.90 0.15 115.95 127.36 1pg3 h TRP 397 Ca 0.11 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1pg3 h TRP 397 Cb 0.68 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1pg3 h TRP 397 CO 0.04 0.16 -0.04 -0.92 -2.79 0.00 0.00 178.44 174.89 1pg3 h TYR 398 N 0.14 -0.09 -0.88 2.65 3.20 -0.83 0.20 116.97 121.36 1pg3 h TYR 398 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1pg3 h TYR 398 Cb 0.04 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1pg3 h TYR 398 CO -0.05 -0.07 0.55 2.35 -1.64 0.00 0.00 178.16 179.30 1pg3 h TRP 399 N -0.03 1.13 0.02 -3.82 7.01 -0.83 -1.61 115.95 117.83 1pg3 h TRP 399 Ca 0.05 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.90 1pg3 h TRP 399 Cb 0.10 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 1pg3 h TRP 399 CO -0.15 0.74 -0.81 -0.22 -2.79 0.00 0.00 178.44 175.21 1pg3 h LYS 400 N 1.20 0.05 0.15 2.65 3.64 -0.41 0.17 116.57 124.03 1pg3 h LYS 400 Ca 0.32 -0.09 -0.30 0.00 -1.27 0.00 0.00 60.65 59.31 1pg3 h LYS 400 Cb -0.08 0.03 0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1pg3 h LYS 400 CO -0.06 1.04 -1.28 0.87 -2.27 0.00 0.00 179.45 177.75 1pg3 h LYS 401 N -0.86 0.60 0.07 1.90 1.79 -0.70 -2.29 116.57 117.08 1pg3 h LYS 401 Ca -0.21 -0.85 -0.30 0.00 -2.18 0.00 0.00 60.65 57.11 1pg3 h LYS 401 Cb 1.28 0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 32.20 1pg3 h LYS 401 CO -0.08 1.39 -1.65 0.82 -1.08 0.00 0.00 179.45 178.85 1pg3 h ILE 402 N 0.22 0.77 -0.02 1.86 1.08 -1.43 -3.38 117.51 116.61 1pg3 h ILE 402 Ca -0.20 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 1pg3 h ILE 402 Cb 1.96 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 38.10 1pg3 h ILE 402 CO 0.24 0.64 -0.03 0.61 -0.69 0.00 0.00 178.15 178.92 1pg3 n GLY 403 N 1.74 0.06 3.33 5.37 0.00 -0.84 -4.94 105.19 109.91 1pg3 n GLY 403 Ca -0.32 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 0.24 -3.36 -1.68 1.61 5.02 -0.86 -0.85 118.16 118.28 1pg3 n LYS 404 Ca 0.18 0.48 -0.19 0.00 -2.02 0.00 0.00 58.31 56.76 1pg3 n LYS 404 Cb 0.39 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 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 -3.70 -1.47 0.00 1.97 1.02 0.03 -4.80 120.64 113.68 1pg3 n GLU 405 Ca -0.02 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1pg3 n GLU 405 Cb 0.54 -5.49 -0.00 0.00 -0.02 0.00 0.00 31.44 26.47 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 -2.36 4.60 -4.88 3.49 5.02 -0.03 -5.02 118.16 118.97 1pg3 n LYS 406 Ca -0.20 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.61 1pg3 n LYS 406 Cb 0.63 -0.67 -0.16 0.00 -0.02 0.00 0.00 35.03 34.81 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 0.47 3.55 -0.20 0.00 0.02 -1.26 -4.66 135.00 132.92 1pg3 s PRO 408 Ca -0.13 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 62.77 1pg3 s PRO 408 Cb -0.17 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 1pg3 s PRO 408 CO 0.05 -0.77 0.05 0.08 -0.33 0.00 0.00 177.00 176.08 1pg3 s VAL 409 N -1.46 4.48 -0.46 3.83 1.01 -1.25 -1.30 120.40 125.24 1pg3 s VAL 409 Ca 0.66 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1pg3 s VAL 409 Cb -0.33 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.11 1pg3 s VAL 409 CO 0.39 0.42 0.35 0.68 0.00 0.00 0.00 175.10 176.94 1pg3 s VAL 410 N 0.83 4.57 -0.65 2.92 -7.23 0.17 -4.91 120.40 116.10 1pg3 s VAL 410 Ca 0.03 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1pg3 s VAL 410 Cb -0.14 -3.87 0.07 0.00 0.56 0.00 0.00 36.38 33.01 1pg3 s VAL 410 CO 0.02 -0.66 0.95 -0.62 -0.31 0.00 0.00 175.10 174.49 1pg3 s ASP 411 N 2.61 6.18 -0.34 4.85 2.15 -1.26 -1.00 116.67 129.86 1pg3 s ASP 411 Ca 0.04 -0.99 -0.20 0.00 0.43 0.00 0.00 52.55 51.83 1pg3 s ASP 411 Cb -0.25 -2.41 -0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1pg3 s ASP 411 CO 0.02 -1.43 0.59 0.42 -0.17 0.00 0.00 175.17 174.61 1pg3 s THR 412 N 4.02 4.94 -0.13 1.71 -4.23 -0.49 -4.34 115.64 117.12 1pg3 s THR 412 Ca 0.22 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.25 1pg3 s THR 412 Cb -0.17 -4.01 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1pg3 s THR 412 CO 0.10 -0.22 0.16 0.86 -0.54 0.00 0.00 174.62 174.98 1pg3 s TRP 413 N 2.58 3.57 -0.05 3.99 -0.00 -0.60 -4.38 118.94 124.05 1pg3 s TRP 413 Ca 0.23 0.52 0.00 0.00 -0.00 0.00 0.00 56.10 56.85 1pg3 s TRP 413 Cb -0.15 -2.02 0.00 0.00 -0.00 0.00 0.00 33.47 31.31 1pg3 s TRP 413 CO 0.13 0.63 0.00 -2.67 -0.00 0.00 0.00 176.95 175.04 1pg3 n TRP 414 N 2.32 0.00 -4.04 5.86 4.27 -1.26 -1.67 117.44 122.92 1pg3 n TRP 414 Ca -0.19 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.32 1pg3 n TRP 414 Cb 0.54 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.42 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 -0.92 1.33 0.30 -2.67 -0.21 -1.26 -4.97 119.66 111.26 1pg3 s GLN 415 Ca 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 55.36 54.06 1pg3 s GLN 415 Cb 0.00 0.39 0.54 0.00 1.00 0.00 0.00 33.01 34.94 1pg3 s GLN 415 CO 0.00 -0.51 1.90 1.15 -2.12 0.00 0.00 175.29 175.71 1pg3 h THR 416 N 2.45 1.04 0.00 -0.19 2.02 -1.97 0.14 112.91 116.39 1pg3 h THR 416 Ca -0.30 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1pg3 h THR 416 Cb 1.24 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1pg3 h THR 416 CO 0.44 0.18 0.00 -0.62 0.37 0.00 0.00 175.52 175.90 1pg3 n GLU 417 N -4.51 0.31 0.00 6.66 4.71 -1.26 -2.88 120.64 123.67 1pg3 n GLU 417 Ca 0.15 0.09 0.07 0.00 -0.01 0.00 0.00 57.16 57.46 1pg3 n GLU 417 Cb 0.23 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.09 1pg3 n GLU 417 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1pg3 n THR 418 N -1.26 0.00 0.00 2.62 -2.24 0.02 -0.86 114.28 112.56 1pg3 n THR 418 Ca 0.10 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1pg3 n THR 418 Cb 0.14 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.80 3.49 3.38 0.00 -1.12 -3.56 105.19 109.50 1pg3 n GLY 419 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1pg3 n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg3 n GLY 420 N 0.00 1.58 3.57 -0.02 0.00 -1.26 -4.82 105.19 104.24 1pg3 n GLY 420 Ca 0.00 -1.44 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1pg3 n GLY 420 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pg3 n PHE 421 N -0.55 1.14 -0.02 1.61 0.99 -1.26 -4.62 117.46 114.75 1pg3 n PHE 421 Ca -0.04 0.72 -0.03 0.00 -0.00 0.00 0.00 57.45 58.09 1pg3 n PHE 421 Cb 0.58 -2.24 -0.01 0.00 -1.00 0.00 0.00 39.48 36.81 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 1.13 0.07 -3.86 -1.08 2.81 -0.67 -4.79 117.12 110.73 1pg3 n MET 422 Ca 0.12 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.75 1pg3 n MET 422 Cb 0.29 -0.65 -0.16 0.00 -0.71 0.00 0.00 33.22 31.99 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 -2.06 1.13 0.13 2.02 1.01 -1.08 0.53 121.20 122.87 1pg3 s ILE 423 Ca -0.05 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 1pg3 s ILE 423 Cb 0.02 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1pg3 s ILE 423 CO 0.06 -0.16 0.45 0.28 0.00 0.00 0.00 174.94 175.58 1pg3 s THR 424 N 1.58 0.05 0.56 2.92 -1.32 -0.33 -1.56 115.64 117.54 1pg3 s THR 424 Ca -0.04 -0.42 -0.07 0.00 -1.21 0.00 0.00 61.69 59.95 1pg3 s THR 424 Cb -0.18 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.68 1pg3 s THR 424 CO -0.07 -0.23 0.90 -2.84 -2.21 0.00 0.00 174.62 170.16 1pg3 s PRO 425 N -3.68 3.35 -0.22 7.08 0.02 -1.14 -4.15 135.00 136.27 1pg3 s PRO 425 Ca 0.02 0.30 0.02 0.00 0.02 0.00 0.00 61.00 61.36 1pg3 s PRO 425 Cb 0.01 -2.25 0.04 0.00 0.02 0.00 0.00 34.50 32.32 1pg3 s PRO 425 CO -0.11 -0.48 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.42 1pg3 s LEU 426 N -4.96 2.77 0.27 -5.54 1.02 -1.26 -4.80 118.68 106.18 1pg3 s LEU 426 Ca 0.52 -1.03 0.05 0.00 0.02 0.00 0.00 54.13 53.69 1pg3 s LEU 426 Cb -0.11 -1.49 0.74 0.00 0.02 0.00 0.00 46.19 45.35 1pg3 s LEU 426 CO 0.48 -0.10 1.33 -0.81 0.02 0.00 0.00 176.35 177.26 1pg3 n PRO 427 N 4.54 -0.06 -0.67 1.29 -0.04 -1.26 -0.57 135.00 138.22 1pg3 n PRO 427 Ca -0.17 1.25 0.08 0.00 -0.04 0.00 0.00 63.50 64.62 1pg3 n PRO 427 Cb 0.46 -2.03 0.34 0.00 -0.04 0.00 0.00 33.50 32.22 1pg3 n PRO 427 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pg3 n GLY 428 N -1.39 3.28 0.00 0.55 0.00 -1.26 -4.56 105.19 101.81 1pg3 n GLY 428 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.35 0.69 -3.54 4.61 0.00 0.26 -3.43 120.51 119.46 1pg3 n ALA 429 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 1pg3 n ALA 429 Cb 1.01 0.02 -0.17 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.69 1.14 0.26 0.00 1.01 -0.12 -3.96 121.20 118.84 1pg3 s ILE 430 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 1pg3 s ILE 430 Cb 0.00 -1.06 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1pg3 s ILE 430 CO 0.00 0.36 1.16 -1.61 0.00 0.00 0.00 174.94 174.86 1pg3 s GLU 431 N 0.84 4.55 0.19 2.79 2.02 -1.26 -4.68 118.70 123.14 1pg3 s GLU 431 Ca -0.11 1.90 -0.14 0.00 0.02 0.00 0.00 54.97 56.64 1pg3 s GLU 431 Cb -0.15 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1pg3 s GLU 431 CO 0.02 0.05 0.58 -0.51 0.02 0.00 0.00 175.26 175.42 1pg3 s LEU 432 N -1.13 4.28 -0.16 1.80 1.43 -0.72 -4.83 118.68 119.34 1pg3 s LEU 432 Ca 0.48 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1pg3 s LEU 432 Cb -0.33 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1pg3 s LEU 432 CO 0.42 0.03 -0.16 -0.54 0.23 0.00 0.00 176.35 176.33 1pg3 s LYS 433 N -2.23 2.51 -0.04 1.70 1.02 -1.26 -0.11 119.74 121.33 1pg3 s LYS 433 Ca 0.42 -0.68 -0.35 0.00 0.02 0.00 0.00 55.97 55.37 1pg3 s LYS 433 Cb -0.14 -2.30 -0.13 0.00 -0.52 0.00 0.00 37.83 34.74 1pg3 s LYS 433 CO 0.20 -0.25 1.77 0.00 -0.92 0.00 0.00 175.35 176.14 1pg3 n ALA 434 N 4.71 0.80 -0.34 5.17 0.00 -1.26 -0.89 120.51 128.69 1pg3 n ALA 434 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pg3 n ALA 434 Cb 0.50 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 4.04 0.80 3.52 0.00 0.00 -1.26 -4.42 105.19 107.88 1pg3 n GLY 435 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.97 4.65 0.15 1.61 0.15 -0.07 -4.73 113.70 112.48 1pg3 s SER 436 Ca 0.00 -0.11 0.25 0.00 0.70 0.00 0.00 55.95 56.79 1pg3 s SER 436 Cb 0.00 -1.52 0.93 0.00 -1.71 0.00 0.00 66.02 63.71 1pg3 s SER 436 CO 0.00 0.25 1.76 0.00 1.20 0.00 0.00 173.24 176.45 1pg3 n ALA 437 N 3.00 2.08 -0.29 5.45 0.00 -1.03 -4.68 120.51 125.03 1pg3 n ALA 437 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1pg3 n ALA 437 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.00 0.00 -4.03 0.00 -2.24 -1.21 -2.84 114.28 101.97 1pg3 n THR 438 Ca 0.05 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1pg3 n THR 438 Cb 0.33 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 3.19 0.55 -0.78 0.52 -1.26 -0.72 118.95 120.45 1pg3 s ARG 439 Ca 0.00 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.19 1pg3 s ARG 439 Cb 0.00 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 1pg3 s ARG 439 CO 0.00 0.45 1.15 -1.25 0.02 0.00 0.00 175.30 175.68 1pg3 s PRO 440 N -3.60 3.27 0.92 3.54 0.04 -1.26 -1.18 135.00 136.72 1pg3 s PRO 440 Ca 0.33 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 1pg3 s PRO 440 Cb -0.09 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1pg3 s PRO 440 CO 0.27 -0.93 1.19 0.12 0.04 0.00 0.00 177.00 177.68 1pg3 s PHE 441 N -1.71 2.28 0.26 0.56 5.36 0.19 -4.80 117.98 120.12 1pg3 s PHE 441 Ca 0.74 0.68 -0.31 0.00 -0.96 0.00 0.00 56.93 57.08 1pg3 s PHE 441 Cb -0.26 -3.58 -0.12 0.00 -0.34 0.00 0.00 43.02 38.72 1pg3 s PHE 441 CO 0.29 -2.38 1.58 1.19 -1.46 0.00 0.00 175.22 174.44 1pg3 n PHE 442 N -3.71 2.65 -0.82 10.12 0.99 -1.26 -1.82 117.46 123.61 1pg3 n PHE 442 Ca 0.09 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1pg3 n PHE 442 Cb 0.60 -2.58 0.00 0.00 -1.00 0.00 0.00 39.48 36.50 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 2.57 1.04 3.53 1.37 0.00 -1.26 -5.02 105.19 107.42 1pg3 n GLY 443 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.69 4.78 -0.64 1.61 1.01 -0.76 -4.52 120.40 118.20 1pg3 s VAL 444 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1pg3 s VAL 444 Cb 0.00 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 33.30 1pg3 s VAL 444 CO 0.00 0.32 0.44 -1.10 0.00 0.00 0.00 175.10 174.76 1pg3 s GLN 445 N 1.49 2.50 0.73 2.72 -0.21 -1.26 -4.68 119.66 120.95 1pg3 s GLN 445 Ca 0.06 -2.71 -0.11 0.00 0.02 0.00 0.00 55.36 52.61 1pg3 s GLN 445 Cb -0.15 -3.63 0.03 0.00 1.00 0.00 0.00 33.01 30.25 1pg3 s GLN 445 CO 0.06 -1.18 1.09 -1.25 -2.12 0.00 0.00 175.29 171.90 1pg3 s PRO 446 N -0.39 2.67 -0.06 2.91 0.04 -1.26 -0.66 135.00 138.24 1pg3 s PRO 446 Ca 0.19 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1pg3 s PRO 446 Cb -0.19 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1pg3 s PRO 446 CO -0.04 -1.18 0.83 0.00 0.04 0.00 0.00 177.00 176.64 1pg3 s ALA 447 N -3.29 -1.82 -0.19 8.56 0.00 -0.23 -4.80 121.76 119.99 1pg3 s ALA 447 Ca 0.59 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 1pg3 s ALA 447 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1pg3 s ALA 447 CO 0.53 -0.44 -0.09 -0.51 0.00 0.00 0.00 175.76 175.24 1pg3 s LEU 448 N -1.55 2.76 0.11 0.00 1.43 -1.26 -1.31 118.68 118.86 1pg3 s LEU 448 Ca -0.03 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1pg3 s LEU 448 Cb -0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1pg3 s LEU 448 CO 0.01 0.05 -0.21 0.68 0.23 0.00 0.00 176.35 177.11 1pg3 s VAL 449 N 1.07 1.73 0.91 -1.59 -7.23 -0.59 0.03 120.40 114.72 1pg3 s VAL 449 Ca 0.00 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.45 1pg3 s VAL 449 Cb -0.15 -1.58 0.22 0.00 0.56 0.00 0.00 36.38 35.43 1pg3 s VAL 449 CO -0.02 -0.08 0.96 -0.90 -0.31 0.00 0.00 175.10 174.76 1pg3 n ASP 450 N 1.03 -1.10 0.02 4.85 5.68 -0.55 -0.40 116.55 126.08 1pg3 n ASP 450 Ca -0.19 -1.18 0.06 0.00 -0.50 0.00 0.00 54.79 52.98 1pg3 n ASP 450 Cb 0.54 -0.81 0.26 0.00 -1.14 0.00 0.00 41.12 39.96 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 -4.18 0.11 -0.35 -1.12 3.02 -1.26 -1.42 115.26 110.05 1pg3 n ASN 451 Ca 0.13 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1pg3 n ASN 451 Cb 0.47 -0.55 0.14 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.63 0.94 -0.22 3.52 4.71 -1.26 -4.96 120.64 121.75 1pg3 n GLU 452 Ca 0.02 -0.70 0.00 0.00 -0.01 0.00 0.00 57.16 56.47 1pg3 n GLU 452 Cb 0.12 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 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 1.40 0.71 3.69 0.62 0.00 -0.51 -5.05 105.19 106.05 1pg3 n GLY 453 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.51 3.24 0.53 1.61 3.76 -1.26 -4.71 115.29 115.95 1pg3 s HIS 454 Ca 0.00 1.24 -0.21 0.00 -0.15 0.00 0.00 55.06 55.94 1pg3 s HIS 454 Cb 0.00 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1pg3 s HIS 454 CO 0.00 -1.26 1.27 -2.14 -0.85 0.00 0.00 174.74 171.76 1pg3 s PRO 455 N 2.02 3.28 -0.13 8.40 0.02 -1.26 -1.49 135.00 145.84 1pg3 s PRO 455 Ca 0.56 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1pg3 s PRO 455 Cb -0.25 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1pg3 s PRO 455 CO 0.23 -1.02 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.02 1pg3 s GLN 456 N -2.93 3.08 0.35 5.54 -1.52 0.10 -4.89 119.66 119.39 1pg3 s GLN 456 Ca 0.71 -0.84 0.07 0.00 -1.95 0.00 0.00 55.36 53.35 1pg3 s GLN 456 Cb -0.35 -2.43 -0.01 0.00 -0.22 0.00 0.00 33.01 29.99 1pg3 s GLN 456 CO 0.41 0.06 0.42 -1.21 -0.25 0.00 0.00 175.29 174.72 1pg3 s GLU 457 N 0.65 2.92 2.06 2.91 2.02 -1.26 -4.53 118.70 123.46 1pg3 s GLU 457 Ca -0.11 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1pg3 s GLU 457 Cb -0.16 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1pg3 s GLU 457 CO 0.02 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1pg3 n GLY 458 N -1.58 -0.75 3.60 -1.39 0.00 -1.26 -4.50 105.19 99.31 1pg3 n GLY 458 Ca 0.01 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.69 2.77 0.00 4.61 0.00 -1.26 -4.81 121.76 121.38 1pg3 s ALA 459 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1pg3 s ALA 459 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1pg3 s ALA 459 CO 0.00 -2.76 0.00 -2.37 0.00 0.00 0.00 175.76 170.63 1pg3 n THR 460 N 7.53 0.00 -3.81 0.00 5.66 -0.84 -4.98 114.28 117.84 1pg3 n THR 460 Ca 0.25 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.16 1pg3 n THR 460 Cb 0.47 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.21 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 -0.88 1.45 0.00 1.09 -1.05 -1.26 -0.10 118.70 117.95 1pg3 s GLU 461 Ca 0.00 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 1pg3 s GLU 461 Cb 0.00 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1pg3 s GLU 461 CO 0.00 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.00 1pg3 n GLY 462 N -0.36 -0.50 3.71 -3.83 0.00 -0.70 -4.82 105.19 98.69 1pg3 n GLY 462 Ca -0.08 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.00 7.04 -0.33 1.61 0.01 0.46 -1.88 114.94 117.85 1pg3 s ASN 463 Ca 0.00 2.00 -0.25 0.00 -0.71 0.00 0.00 52.86 53.90 1pg3 s ASN 463 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1pg3 s ASN 463 CO 0.00 -0.52 0.88 -0.22 -1.51 0.00 0.00 177.10 175.72 1pg3 s LEU 464 N 1.41 4.04 0.23 0.60 2.96 -0.41 -1.55 118.68 125.96 1pg3 s LEU 464 Ca 0.59 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 1pg3 s LEU 464 Cb -0.29 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 1pg3 s LEU 464 CO 0.28 -0.73 -0.06 0.68 -1.32 0.00 0.00 176.35 175.19 1pg3 s VAL 465 N 3.22 1.36 -0.23 1.68 -7.23 -0.43 -2.82 120.40 115.96 1pg3 s VAL 465 Ca 0.36 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1pg3 s VAL 465 Cb -0.13 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.59 1pg3 s VAL 465 CO 0.15 -0.43 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.76 1pg3 s ILE 466 N -3.20 2.48 -0.92 -0.62 -1.09 -0.31 -1.07 121.20 116.48 1pg3 s ILE 466 Ca 0.26 -1.12 0.15 0.00 -2.23 0.00 0.00 60.65 57.71 1pg3 s ILE 466 Cb 0.04 -2.24 0.14 0.00 -1.58 0.00 0.00 42.46 38.81 1pg3 s ILE 466 CO 0.08 0.26 1.49 0.35 -1.23 0.00 0.00 174.94 175.89 1pg3 n THR 467 N 4.60 1.01 -4.06 2.92 -2.24 0.16 -1.80 114.28 114.87 1pg3 n THR 467 Ca -0.17 0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1pg3 n THR 467 Cb 0.47 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.61 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 -3.19 0.52 0.63 3.42 -1.08 -1.26 -4.86 116.67 110.85 1pg3 s ASP 468 Ca 0.06 -1.30 -0.04 0.00 -0.52 0.00 0.00 52.55 50.75 1pg3 s ASP 468 Cb 0.09 0.63 0.04 0.00 -1.46 0.00 0.00 42.92 42.22 1pg3 s ASP 468 CO 0.28 -1.23 0.92 -0.55 0.52 0.00 0.00 175.17 175.10 1pg3 s SER 469 N -3.16 5.13 -0.01 -0.34 0.15 -1.26 -4.76 113.70 109.45 1pg3 s SER 469 Ca 0.28 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.18 1pg3 s SER 469 Cb -0.00 -1.18 0.02 0.00 -1.71 0.00 0.00 66.02 63.15 1pg3 s SER 469 CO 0.16 -1.34 0.26 -1.66 1.20 0.00 0.00 173.24 171.86 1pg3 s TRP 470 N -3.04 -0.11 0.31 3.44 -2.14 -1.26 -4.83 118.94 111.29 1pg3 s TRP 470 Ca 0.58 0.15 0.03 0.00 2.66 0.00 0.00 56.10 59.51 1pg3 s TRP 470 Cb -0.11 0.05 0.77 0.00 -3.10 0.00 0.00 33.47 31.09 1pg3 s TRP 470 CO 0.43 -0.36 1.59 -1.35 -2.66 0.00 0.00 176.95 174.60 1pg3 h PRO 471 N 4.01 0.05 -0.05 3.25 0.11 -1.92 -2.07 132.00 135.37 1pg3 h PRO 471 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pg3 h PRO 471 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pg3 h PRO 471 CO 0.40 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1pg3 n GLY 472 N -1.45 -0.63 3.76 -0.55 0.00 -1.21 -3.30 105.19 101.81 1pg3 n GLY 472 Ca 0.23 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.94 4.23 0.40 1.61 0.74 -0.78 -2.81 119.66 121.10 1pg3 s GLN 473 Ca 0.27 2.40 -0.26 0.00 0.05 0.00 0.00 55.36 57.82 1pg3 s GLN 473 Cb 0.13 -3.05 -0.11 0.00 1.10 0.00 0.00 33.01 31.09 1pg3 s GLN 473 CO 0.21 -0.42 1.19 0.00 -0.55 0.00 0.00 175.29 175.72 1pg3 n ALA 474 N 1.38 0.91 0.05 1.58 0.00 -0.04 -4.85 120.51 119.53 1pg3 n ALA 474 Ca 0.04 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.81 1pg3 n ALA 474 Cb 0.40 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 1pg3 n ALA 474 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pg3 n ARG 475 N 0.21 0.62 -3.13 0.00 5.12 -0.15 -5.00 116.66 114.33 1pg3 n ARG 475 Ca 0.07 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1pg3 n ARG 475 Cb 0.38 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1pg3 n ARG 475 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1pg3 n THR 476 N -2.72 0.00 -3.93 0.55 5.66 -1.22 -4.81 114.28 107.81 1pg3 n THR 476 Ca -0.06 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.58 1pg3 n THR 476 Cb 0.71 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.36 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 3.37 -0.16 1.09 1.43 -1.26 -0.49 118.68 122.65 1pg3 s LEU 477 Ca 0.00 -0.19 -0.41 0.00 -1.03 0.00 0.00 54.13 52.50 1pg3 s LEU 477 Cb 0.00 -1.87 -0.18 0.00 0.03 0.00 0.00 46.19 44.16 1pg3 s LEU 477 CO 0.00 0.03 1.40 0.33 0.23 0.00 0.00 176.35 178.34 1pg3 n PHE 478 N 4.49 1.41 -1.02 0.29 7.35 0.74 -0.28 117.46 130.43 1pg3 n PHE 478 Ca -0.17 0.88 -0.01 0.00 -0.76 0.00 0.00 57.45 57.40 1pg3 n PHE 478 Cb 0.52 -2.25 -0.00 0.00 0.35 0.00 0.00 39.48 38.09 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 2.90 0.14 2.59 7.13 0.00 -1.26 -4.73 105.19 111.96 1pg3 n GLY 479 Ca 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.83 -1.86 0.09 1.61 -0.08 0.61 -4.98 116.55 111.11 1pg3 n ASP 480 Ca -0.01 -3.24 0.05 0.00 -1.51 0.00 0.00 54.79 50.08 1pg3 n ASP 480 Cb 0.42 1.15 0.47 0.00 2.34 0.00 0.00 41.12 45.51 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 3.71 0.32 -0.67 -0.67 -0.00 -1.90 -2.48 115.15 113.46 1pg3 h HIS 481 Ca -0.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.27 1pg3 h HIS 481 Cb 1.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 1pg3 h HIS 481 CO 0.19 0.25 0.33 0.93 -0.00 0.00 0.00 177.93 179.62 1pg3 h GLU 482 N 0.34 0.97 -0.44 5.26 5.08 -1.93 -0.97 114.58 122.88 1pg3 h GLU 482 Ca 0.09 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1pg3 h GLU 482 Cb 0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1pg3 h GLU 482 CO -0.01 0.76 0.04 -0.09 -1.00 0.00 0.00 179.01 178.71 1pg3 h ARG 483 N 0.93 0.69 -0.04 2.33 9.65 -1.86 -0.92 114.38 125.17 1pg3 h ARG 483 Ca 0.23 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1pg3 h ARG 483 Cb 0.11 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1pg3 h ARG 483 CO -0.03 0.68 0.00 0.35 2.80 0.00 0.00 179.97 183.78 1pg3 h PHE 484 N 0.66 0.01 -0.41 2.20 3.57 -0.98 0.20 116.94 122.18 1pg3 h PHE 484 Ca 0.14 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1pg3 h PHE 484 Cb 0.36 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1pg3 h PHE 484 CO 0.02 0.00 0.17 0.93 -2.23 0.00 0.00 178.31 177.19 1pg3 h GLU 485 N 0.02 0.62 -0.23 1.11 5.08 -0.87 -2.60 114.58 117.71 1pg3 h GLU 485 Ca 0.02 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1pg3 h GLU 485 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1pg3 h GLU 485 CO -0.03 0.58 -0.14 0.37 -1.00 0.00 0.00 179.01 178.80 1pg3 h GLN 486 N 0.53 0.50 -0.80 2.33 4.15 -1.02 0.89 115.11 121.68 1pg3 h GLN 486 Ca 0.14 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1pg3 h GLN 486 Cb 0.19 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1pg3 h GLN 486 CO -0.01 0.79 0.37 1.15 -1.93 0.00 0.00 178.83 179.19 1pg3 h THR 487 N 0.21 1.25 0.00 2.39 2.02 -0.60 -3.20 112.91 114.99 1pg3 h THR 487 Ca 0.05 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1pg3 h THR 487 Cb 0.65 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1pg3 h THR 487 CO 0.04 0.31 -1.41 -1.22 0.37 0.00 0.00 175.52 173.61 1pg3 n TYR 488 N -4.30 0.00 -0.39 3.16 4.02 -0.98 -4.77 117.16 113.90 1pg3 n TYR 488 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.98 1pg3 n TYR 488 Cb 0.15 -0.23 0.02 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.82 0.00 -0.10 -0.72 3.01 0.30 -0.69 117.46 117.44 1pg3 n PHE 489 Ca -0.02 -0.50 -0.11 0.00 1.01 0.00 0.00 57.45 57.83 1pg3 n PHE 489 Cb 0.27 -0.06 -0.15 0.00 -0.01 0.00 0.00 39.48 39.53 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 -0.58 0.42 -0.22 4.37 3.41 -1.16 -4.21 113.62 115.64 1pg3 n SER 490 Ca 0.03 -0.02 -0.06 0.00 -0.26 0.00 0.00 58.87 58.56 1pg3 n SER 490 Cb 0.37 0.79 0.04 0.00 -0.26 0.00 0.00 64.21 65.15 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 1.18 -3.08 6.66 2.02 -1.86 -3.37 112.91 114.46 1pg3 h THR 491 Ca -0.54 -0.40 -0.57 0.00 0.77 0.00 0.00 66.41 65.67 1pg3 h THR 491 Cb 2.16 0.31 -0.40 0.00 -1.74 0.00 0.00 68.15 68.48 1pg3 h THR 491 CO 0.01 0.19 -0.76 -0.36 0.37 0.00 0.00 175.52 174.97 1pg3 s PHE 492 N -6.00 1.41 0.18 3.16 2.99 -1.26 -4.87 117.98 113.59 1pg3 s PHE 492 Ca -0.13 -1.55 -0.32 0.00 0.00 0.00 0.00 56.93 54.93 1pg3 s PHE 492 Cb 0.13 -1.54 -0.16 0.00 0.00 0.00 0.00 43.02 41.46 1pg3 s PHE 492 CO 0.77 -0.86 1.04 1.63 -0.00 0.00 0.00 175.22 177.79 1pg3 n LYS 493 N 4.93 0.92 -1.29 0.44 5.02 -1.26 -1.54 118.16 125.39 1pg3 n LYS 493 Ca -0.03 0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.49 1pg3 n LYS 493 Cb 0.42 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1pg3 n LYS 493 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pg3 n ASN 494 N 1.84 -4.87 -4.02 4.39 3.02 -1.24 -4.98 115.26 109.39 1pg3 n ASN 494 Ca 0.15 0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.83 1pg3 n ASN 494 Cb 0.24 -3.25 -0.11 0.00 -0.61 0.00 0.00 39.78 36.05 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 -2.66 0.43 -0.20 3.52 -1.94 -0.59 -4.82 119.30 113.04 1pg3 s MET 495 Ca 0.00 -0.67 -0.23 0.00 -1.71 0.00 0.00 55.69 53.08 1pg3 s MET 495 Cb 0.00 -0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 1pg3 s MET 495 CO 0.00 0.01 0.75 -0.47 -0.01 0.00 0.00 175.02 175.30 1pg3 s TYR 496 N -1.34 3.37 -0.26 -0.03 5.04 -0.74 -4.30 117.35 119.08 1pg3 s TYR 496 Ca -0.12 1.09 -0.09 0.00 -2.44 0.00 0.00 57.07 55.51 1pg3 s TYR 496 Cb -0.10 -2.94 -0.04 0.00 0.35 0.00 0.00 41.96 39.24 1pg3 s TYR 496 CO -0.00 -0.26 0.14 0.12 -1.34 0.00 0.00 175.55 174.21 1pg3 s PHE 497 N 2.23 3.17 -0.42 4.97 5.36 0.14 -1.16 117.98 132.27 1pg3 s PHE 497 Ca 0.33 -0.10 0.23 0.00 -0.96 0.00 0.00 56.93 56.43 1pg3 s PHE 497 Cb -0.16 -2.31 0.31 0.00 -0.34 0.00 0.00 43.02 40.52 1pg3 s PHE 497 CO 0.10 -0.23 1.57 0.66 -1.46 0.00 0.00 175.22 175.86 1pg3 h SER 498 N 8.27 0.00 0.00 6.13 4.64 -1.85 -3.44 113.55 127.31 1pg3 h SER 498 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1pg3 h SER 498 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1pg3 h SER 498 CO 0.57 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1pg3 n GLY 499 N 1.11 0.70 3.81 -0.77 0.00 -1.26 -5.02 105.19 103.76 1pg3 n GLY 499 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.35 5.49 0.16 1.61 1.01 -1.26 0.02 116.67 121.35 1pg3 s ASP 500 Ca 0.00 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.13 1pg3 s ASP 500 Cb 0.00 -1.40 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 1pg3 s ASP 500 CO 0.00 0.00 -0.12 -0.83 0.21 0.00 0.00 175.17 174.43 1pg3 s GLY 501 N -3.56 1.73 0.05 0.21 0.00 0.36 -1.29 107.32 104.83 1pg3 s GLY 501 Ca 0.32 -1.43 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 1pg3 s GLY 501 CO 0.24 -1.44 0.75 0.00 0.00 0.00 0.00 173.10 172.65 1pg3 s ALA 502 N -1.53 -1.73 0.18 3.20 0.00 -0.79 -1.34 121.76 119.76 1pg3 s ALA 502 Ca 0.23 0.85 0.11 0.00 0.00 0.00 0.00 51.96 53.14 1pg3 s ALA 502 Cb -0.09 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1pg3 s ALA 502 CO 0.14 -0.67 -0.24 -0.98 0.00 0.00 0.00 175.76 174.00 1pg3 s ARG 503 N -3.11 1.49 -0.12 0.00 1.70 -0.06 -1.72 118.95 117.12 1pg3 s ARG 503 Ca 0.01 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.81 1pg3 s ARG 503 Cb -0.01 -1.82 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 1pg3 s ARG 503 CO -0.08 0.40 -0.22 0.50 -1.08 0.00 0.00 175.30 174.81 1pg3 s ARG 504 N -2.59 3.06 0.87 3.89 3.52 0.85 -0.52 118.95 128.04 1pg3 s ARG 504 Ca 0.19 -0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 54.86 1pg3 s ARG 504 Cb -0.08 -2.40 0.19 0.00 -1.56 0.00 0.00 34.95 31.10 1pg3 s ARG 504 CO 0.09 0.08 1.19 -0.40 -0.81 0.00 0.00 175.30 175.45 1pg3 n ASP 505 N 3.82 0.75 0.34 -2.12 5.68 -0.74 -1.98 116.55 122.30 1pg3 n ASP 505 Ca -0.19 -1.83 0.16 0.00 -0.50 0.00 0.00 54.79 52.42 1pg3 n ASP 505 Cb 0.52 -0.85 0.86 0.00 -1.14 0.00 0.00 41.12 40.51 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 0.00 -0.01 0.11 -0.00 -1.94 0.05 114.58 112.79 1pg3 h GLU 506 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 1pg3 h GLU 506 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1pg3 h GLU 506 CO 0.34 0.00 -0.47 -0.25 -0.00 0.00 0.00 179.01 178.62 1pg3 n ASP 507 N -2.90 1.91 0.00 3.06 8.00 -1.26 -4.95 116.55 120.40 1pg3 n ASP 507 Ca -0.02 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1pg3 n ASP 507 Cb 0.35 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.42 0.74 3.75 0.44 0.00 0.01 -5.06 105.19 106.48 1pg3 n GLY 508 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 3.78 -0.03 1.61 1.51 -1.26 -4.79 117.35 115.80 1pg3 s TYR 509 Ca 0.00 1.78 -0.12 0.00 -1.01 0.00 0.00 57.07 57.73 1pg3 s TYR 509 Cb 0.00 -3.13 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 1pg3 s TYR 509 CO 0.00 -0.05 0.32 0.71 -1.11 0.00 0.00 175.55 175.42 1pg3 s TYR 510 N -0.84 3.68 -0.26 2.71 1.51 0.10 -1.79 117.35 122.46 1pg3 s TYR 510 Ca 0.44 0.83 0.01 0.00 -1.01 0.00 0.00 57.07 57.34 1pg3 s TYR 510 Cb -0.28 -2.16 0.07 0.00 -0.11 0.00 0.00 41.96 39.48 1pg3 s TYR 510 CO 0.35 0.67 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.86 1pg3 s TRP 511 N -1.09 2.46 -0.30 2.71 0.52 0.33 -2.47 118.94 121.10 1pg3 s TRP 511 Ca 0.22 -1.91 -0.29 0.00 0.02 0.00 0.00 56.10 54.14 1pg3 s TRP 511 Cb -0.15 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1pg3 s TRP 511 CO 0.11 -0.81 1.07 0.42 0.02 0.00 0.00 176.95 177.76 1pg3 s ILE 512 N 1.37 4.54 -0.15 2.03 1.09 -1.26 -0.89 121.20 127.92 1pg3 s ILE 512 Ca -0.01 1.79 0.16 0.00 -1.10 0.00 0.00 60.65 61.49 1pg3 s ILE 512 Cb -0.19 -4.39 0.00 0.00 -1.06 0.00 0.00 42.46 36.82 1pg3 s ILE 512 CO -0.09 -0.42 1.23 0.71 -0.10 0.00 0.00 174.94 176.27 1pg3 h THR 513 N 5.68 0.69 0.00 2.92 1.35 -1.57 -3.45 112.91 118.53 1pg3 h THR 513 Ca -0.20 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1pg3 h THR 513 Cb 1.06 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1pg3 h THR 513 CO 1.02 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 1pg3 n GLY 514 N 1.28 1.67 3.74 5.82 0.00 -1.20 -4.95 105.19 111.54 1pg3 n GLY 514 Ca -0.02 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1pg3 n GLY 514 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg3 n ARG 515 N -1.75 2.47 0.00 1.61 5.12 -1.26 -0.49 116.66 122.36 1pg3 n ARG 515 Ca 0.00 0.87 0.08 0.00 -1.93 0.00 0.00 57.85 56.86 1pg3 n ARG 515 Cb 0.00 -2.56 -0.08 0.00 -1.16 0.00 0.00 32.46 28.67 1pg3 n ARG 515 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1pg3 n VAL 516 N 0.77 0.00 -2.19 1.55 0.24 0.10 -4.77 118.33 114.04 1pg3 n VAL 516 Ca 0.04 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1pg3 n VAL 516 Cb 0.37 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.17 0.00 -2.96 -1.34 3.85 -1.23 -4.99 116.55 108.72 1pg3 n ASP 517 Ca 0.04 -0.47 -0.35 0.00 -0.71 0.00 0.00 54.79 53.29 1pg3 n ASP 517 Cb 0.26 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.03 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 -1.42 7.20 -4.47 -1.12 8.00 -1.26 -4.91 116.55 118.57 1pg3 n ASP 518 Ca 0.00 -3.46 -0.33 0.00 0.71 0.00 0.00 54.79 51.70 1pg3 n ASP 518 Cb 0.00 -1.19 -0.13 0.00 -0.02 0.00 0.00 41.12 39.78 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 -3.25 3.54 0.41 2.53 1.01 -1.26 -1.61 120.40 121.77 1pg3 s VAL 519 Ca 0.53 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1pg3 s VAL 519 Cb 0.34 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1pg3 s VAL 519 CO -0.25 0.53 0.60 -0.76 0.00 0.00 0.00 175.10 175.22 1pg3 s LEU 520 N 0.08 3.78 -0.42 3.92 1.43 0.27 -4.74 118.68 123.00 1pg3 s LEU 520 Ca -0.03 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1pg3 s LEU 520 Cb -0.14 -3.05 0.13 0.00 0.03 0.00 0.00 46.19 43.17 1pg3 s LEU 520 CO 0.03 -0.59 0.22 0.21 0.23 0.00 0.00 176.35 176.46 1pg3 s ASN 521 N -4.19 3.64 -0.43 2.29 2.47 -1.25 -2.46 114.94 115.01 1pg3 s ASN 521 Ca 0.46 -2.50 -0.11 0.00 0.42 0.00 0.00 52.86 51.14 1pg3 s ASN 521 Cb -0.10 -0.98 0.08 0.00 -1.45 0.00 0.00 41.25 38.80 1pg3 s ASN 521 CO 0.36 -0.28 0.29 -0.69 -3.72 0.00 0.00 177.10 173.05 1pg3 s VAL 522 N 0.53 4.49 -1.37 -5.21 1.01 -0.30 -2.52 120.40 117.03 1pg3 s VAL 522 Ca 0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 1pg3 s VAL 522 Cb -0.24 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1pg3 s VAL 522 CO -0.02 -0.52 1.01 -1.20 0.00 0.00 0.00 175.10 174.37 1pg3 n SER 523 N 4.99 -4.15 -0.43 3.32 7.64 0.11 -1.31 113.62 123.79 1pg3 n SER 523 Ca -0.11 -0.67 -0.06 0.00 1.01 0.00 0.00 58.87 59.04 1pg3 n SER 523 Cb 0.43 -4.56 -0.02 0.00 -1.01 0.00 0.00 64.21 59.05 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 -1.68 0.81 3.36 0.23 0.00 -1.26 -4.90 105.19 101.75 1pg3 n GLY 524 Ca -0.10 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.18 2.57 -0.28 1.61 3.76 -0.42 -4.93 115.29 115.41 1pg3 s HIS 525 Ca 0.00 -0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 54.20 1pg3 s HIS 525 Cb 0.00 -1.63 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 1pg3 s HIS 525 CO 0.00 -0.06 0.76 0.50 -0.85 0.00 0.00 174.74 175.09 1pg3 s ARG 526 N -0.33 4.03 -0.02 1.40 3.52 -1.26 -1.15 118.95 125.14 1pg3 s ARG 526 Ca 0.02 0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1pg3 s ARG 526 Cb -0.13 -3.70 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1pg3 s ARG 526 CO 0.02 -0.59 0.04 -0.51 -0.81 0.00 0.00 175.30 173.45 1pg3 s LEU 527 N 2.84 1.41 0.24 -0.88 1.43 -1.03 -4.51 118.68 118.17 1pg3 s LEU 527 Ca 0.31 0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.25 1pg3 s LEU 527 Cb -0.15 0.04 -0.09 0.00 0.03 0.00 0.00 46.19 46.03 1pg3 s LEU 527 CO 0.11 -0.08 0.81 -0.83 0.23 0.00 0.00 176.35 176.59 1pg3 s GLY 528 N 0.61 2.77 0.10 -3.19 0.00 -1.26 0.98 107.32 107.33 1pg3 s GLY 528 Ca -0.05 0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1pg3 s GLY 528 CO -0.02 0.77 1.54 -0.91 0.00 0.00 0.00 173.10 174.48 1pg3 h THR 529 N 2.87 1.26 -0.47 0.90 1.35 -1.55 -3.02 112.91 114.25 1pg3 h THR 529 Ca -0.47 -0.97 0.08 0.00 -0.55 0.00 0.00 66.41 64.50 1pg3 h THR 529 Cb 1.20 1.27 -0.07 0.00 -1.73 0.00 0.00 68.15 68.82 1pg3 h THR 529 CO 0.65 0.32 0.04 0.00 -0.25 0.00 0.00 175.52 176.29 1pg3 h ALA 530 N 0.84 0.48 -0.15 6.62 0.00 -1.79 -1.11 119.26 124.14 1pg3 h ALA 530 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1pg3 h ALA 530 Cb 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1pg3 h ALA 530 CO 0.02 -0.35 -0.14 1.05 0.00 0.00 0.00 179.25 179.83 1pg3 h GLU 531 N 0.17 0.23 -0.17 0.00 4.11 -1.70 -0.79 114.58 116.43 1pg3 h GLU 531 Ca 0.24 -0.05 -0.15 0.00 0.07 0.00 0.00 59.36 59.46 1pg3 h GLU 531 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1pg3 h GLU 531 CO -0.35 0.38 -0.54 0.82 0.07 0.00 0.00 179.01 179.39 1pg3 h ILE 532 N 0.22 1.33 -0.39 -1.06 2.04 -1.16 -2.62 117.51 115.87 1pg3 h ILE 532 Ca 0.05 -1.79 -0.16 0.00 1.00 0.00 0.00 64.86 63.95 1pg3 h ILE 532 Cb 0.38 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1pg3 h ILE 532 CO 0.02 0.55 -0.38 -0.33 0.00 0.00 0.00 178.15 178.01 1pg3 h GLU 533 N 0.39 0.94 -0.29 2.37 5.08 -0.42 -2.17 114.58 120.48 1pg3 h GLU 533 Ca 0.01 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1pg3 h GLU 533 Cb 1.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1pg3 h GLU 533 CO 0.10 1.15 0.14 0.77 -1.00 0.00 0.00 179.01 180.17 1pg3 h SER 534 N 0.77 0.37 -0.69 1.42 0.02 -1.16 0.07 113.55 114.34 1pg3 h SER 534 Ca 0.06 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1pg3 h SER 534 Cb 0.98 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.36 1pg3 h SER 534 CO 0.10 0.38 0.36 0.00 -1.14 0.00 0.00 176.83 176.53 1pg3 h ALA 535 N 1.00 0.94 0.05 3.77 0.00 -1.39 -0.45 119.26 123.18 1pg3 h ALA 535 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pg3 h ALA 535 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pg3 h ALA 535 CO -0.01 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.15 1pg3 h LEU 536 N 0.65 -0.06 -2.62 0.00 3.38 -1.04 -2.94 115.31 112.68 1pg3 h LEU 536 Ca 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pg3 h LEU 536 Cb 0.28 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pg3 h LEU 536 CO -0.22 0.23 0.00 0.58 0.09 0.00 0.00 178.44 179.12 1pg3 h VAL 537 N -0.35 0.00 0.00 1.22 2.07 -0.65 -1.00 116.25 117.54 1pg3 h VAL 537 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1pg3 h VAL 537 Cb 0.31 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1pg3 h VAL 537 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1pg3 h ALA 538 N 2.00 1.00 -2.64 1.67 0.00 -0.90 -3.44 119.26 116.96 1pg3 h ALA 538 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1pg3 h ALA 538 Cb 0.12 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pg3 h ALA 538 CO 0.00 0.00 0.64 -1.58 0.00 0.00 0.00 179.25 178.31 1pg3 s HIS 539 N -3.38 3.30 0.64 0.00 5.04 -0.38 -4.89 115.29 115.62 1pg3 s HIS 539 Ca 0.04 1.23 0.27 0.00 -1.54 0.00 0.00 55.06 55.07 1pg3 s HIS 539 Cb 0.09 -3.56 1.45 0.00 0.04 0.00 0.00 32.58 30.60 1pg3 s HIS 539 CO 0.44 -1.76 1.83 -1.35 -2.34 0.00 0.00 174.74 171.56 1pg3 h PRO 540 N 5.64 0.00 -0.01 2.88 0.11 -1.89 -0.72 132.00 138.02 1pg3 h PRO 540 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pg3 h PRO 540 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pg3 h PRO 540 CO 0.78 0.00 -0.51 1.63 -0.21 0.00 0.00 178.00 179.69 1pg3 n LYS 541 N -3.14 1.61 -3.59 1.05 5.02 -1.26 -4.93 118.16 112.91 1pg3 n LYS 541 Ca 0.02 -0.53 -0.37 0.00 -2.02 0.00 0.00 58.31 55.42 1pg3 n LYS 541 Cb 0.54 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.20 5.32 -0.15 -0.18 1.01 -0.28 -0.97 121.20 123.74 1pg3 s ILE 542 Ca 0.11 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 1pg3 s ILE 542 Cb 0.13 -3.56 -0.24 0.00 0.01 0.00 0.00 42.46 38.81 1pg3 s ILE 542 CO 0.52 0.32 0.29 0.00 0.00 0.00 0.00 174.94 176.07 1pg3 n ALA 543 N 4.38 0.88 -3.29 9.38 0.00 0.09 -4.68 120.51 127.27 1pg3 n ALA 543 Ca -0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1pg3 n ALA 543 Cb 0.52 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.50 1.00 0.05 0.00 2.12 -1.13 -4.95 118.70 113.30 1pg3 s GLU 544 Ca -0.25 -0.22 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 1pg3 s GLU 544 Cb 0.07 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.92 1pg3 s GLU 544 CO 0.71 -0.35 0.21 0.00 -0.54 0.00 0.00 175.26 175.29 1pg3 s ALA 545 N -2.29 -0.37 -0.10 6.30 0.00 -1.26 -0.75 121.76 123.29 1pg3 s ALA 545 Ca -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1pg3 s ALA 545 Cb -0.01 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1pg3 s ALA 545 CO -0.01 -0.41 0.11 0.00 0.00 0.00 0.00 175.76 175.46 1pg3 s ALA 546 N -2.89 0.13 -0.10 0.00 0.00 -0.45 -4.94 121.76 113.51 1pg3 s ALA 546 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1pg3 s ALA 546 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1pg3 s ALA 546 CO -0.06 -0.75 -0.01 0.08 0.00 0.00 0.00 175.76 175.02 1pg3 s VAL 547 N 2.21 4.18 0.11 0.00 1.01 -1.26 -0.77 120.40 125.87 1pg3 s VAL 547 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1pg3 s VAL 547 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1pg3 s VAL 547 CO -0.06 0.58 0.03 0.68 0.00 0.00 0.00 175.10 176.33 1pg3 s VAL 548 N -0.65 0.14 0.16 2.92 -7.23 -0.43 -4.90 120.40 110.40 1pg3 s VAL 548 Ca 0.10 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.44 1pg3 s VAL 548 Cb -0.12 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1pg3 s VAL 548 CO 0.02 -0.62 0.14 -0.83 -0.31 0.00 0.00 175.10 173.51 1pg3 s GLY 549 N -3.01 1.74 0.06 2.32 0.00 -1.26 -0.88 107.32 106.29 1pg3 s GLY 549 Ca 0.19 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1pg3 s GLY 549 CO -0.02 -1.19 -0.10 -0.26 0.00 0.00 0.00 173.10 171.53 1pg3 s ILE 550 N -1.72 0.81 0.41 0.90 -4.36 -0.57 -4.90 121.20 111.77 1pg3 s ILE 550 Ca 0.31 -1.29 -0.26 0.00 -0.26 0.00 0.00 60.65 59.15 1pg3 s ILE 550 Cb -0.10 -0.93 -0.10 0.00 1.25 0.00 0.00 42.46 42.57 1pg3 s ILE 550 CO 0.24 -0.38 1.32 -2.65 0.24 0.00 0.00 174.94 173.71 1pg3 n PRO 551 N 1.19 2.08 -3.73 0.37 -0.02 -1.26 0.19 135.00 133.82 1pg3 n PRO 551 Ca -0.21 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 61.85 1pg3 n PRO 551 Cb 0.55 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.17 -0.03 0.56 6.00 2.46 -0.47 -4.61 115.29 118.03 1pg3 s HIS 552 Ca 0.59 0.29 0.26 0.00 0.47 0.00 0.00 55.06 56.66 1pg3 s HIS 552 Cb -0.51 -0.27 1.51 0.00 -0.13 0.00 0.00 32.58 33.18 1pg3 s HIS 552 CO 0.59 -0.15 2.07 0.00 -2.47 0.00 0.00 174.74 174.78 1pg3 h ALA 553 N 7.68 2.07 0.00 1.58 0.00 -1.95 -1.93 119.26 126.71 1pg3 h ALA 553 Ca -0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1pg3 h ALA 553 Cb 1.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pg3 h ALA 553 CO 0.35 -0.38 -0.92 -0.89 0.00 0.00 0.00 179.25 177.42 1pg3 n ILE 554 N -4.10 1.37 1.88 0.00 2.08 -1.26 -4.71 119.36 114.62 1pg3 n ILE 554 Ca 0.04 0.15 0.09 0.00 0.56 0.00 0.00 62.75 63.59 1pg3 n ILE 554 Cb 0.39 -2.08 0.51 0.00 -0.75 0.00 0.00 39.64 37.72 1pg3 n ILE 554 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1pg3 n LYS 555 N -4.14 1.12 0.00 0.38 2.85 -1.25 -4.54 118.16 112.58 1pg3 n LYS 555 Ca -0.14 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 56.94 1pg3 n LYS 555 Cb 0.43 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1pg3 n LYS 555 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pg3 n GLY 556 N 0.84 1.94 2.98 2.58 0.00 -0.73 0.09 105.19 112.90 1pg3 n GLY 556 Ca 0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 0.43 0.27 1.61 -0.21 -1.05 -1.37 119.66 119.33 1pg3 s GLN 557 Ca 0.00 -0.34 0.08 0.00 0.02 0.00 0.00 55.36 55.12 1pg3 s GLN 557 Cb 0.00 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 1pg3 s GLN 557 CO 0.00 0.09 0.14 0.00 -2.12 0.00 0.00 175.29 173.40 1pg3 s ALA 558 N -0.49 3.47 -0.34 6.09 0.00 0.13 -4.36 121.76 126.27 1pg3 s ALA 558 Ca -0.02 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 1pg3 s ALA 558 Cb -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1pg3 s ALA 558 CO -0.00 0.23 0.36 0.42 0.00 0.00 0.00 175.76 176.77 1pg3 s ILE 559 N -2.21 5.17 -0.24 0.00 1.01 -1.26 -1.51 121.20 122.15 1pg3 s ILE 559 Ca 0.33 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 1pg3 s ILE 559 Cb -0.07 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1pg3 s ILE 559 CO 0.23 -0.10 0.02 -0.47 0.00 0.00 0.00 174.94 174.62 1pg3 s TYR 560 N 2.00 3.04 -0.15 3.97 6.14 -0.06 -1.40 117.35 130.89 1pg3 s TYR 560 Ca 0.11 -0.76 0.01 0.00 0.64 0.00 0.00 57.07 57.07 1pg3 s TYR 560 Cb -0.17 -2.18 0.00 0.00 0.42 0.00 0.00 41.96 40.04 1pg3 s TYR 560 CO 0.12 -0.48 -0.16 0.00 0.64 0.00 0.00 175.55 175.66 1pg3 s ALA 561 N 1.53 2.45 -0.22 3.97 0.00 -0.62 -1.31 121.76 127.56 1pg3 s ALA 561 Ca 0.05 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 1pg3 s ALA 561 Cb -0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1pg3 s ALA 561 CO 0.00 -0.04 0.59 0.71 0.00 0.00 0.00 175.76 177.02 1pg3 s TYR 562 N 0.83 3.33 -0.06 0.00 1.51 0.05 -0.09 117.35 122.92 1pg3 s TYR 562 Ca -0.05 0.82 0.06 0.00 -1.01 0.00 0.00 57.07 56.88 1pg3 s TYR 562 Cb -0.15 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.92 1pg3 s TYR 562 CO -0.01 -0.22 -0.23 0.08 -1.11 0.00 0.00 175.55 174.07 1pg3 s VAL 563 N 2.08 1.90 -0.24 0.71 1.01 0.45 -1.34 120.40 124.97 1pg3 s VAL 563 Ca 0.26 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1pg3 s VAL 563 Cb -0.16 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1pg3 s VAL 563 CO 0.09 0.53 -0.04 -0.89 0.00 0.00 0.00 175.10 174.79 1pg3 s THR 564 N -0.09 3.21 0.32 3.92 2.01 0.07 -1.05 115.64 124.03 1pg3 s THR 564 Ca -0.04 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1pg3 s THR 564 Cb -0.13 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 1pg3 s THR 564 CO 0.03 0.31 0.69 -0.76 -0.69 0.00 0.00 174.62 174.20 1pg3 s LEU 565 N 1.42 4.04 0.98 4.42 1.43 -1.26 -0.73 118.68 128.97 1pg3 s LEU 565 Ca 0.03 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 1pg3 s LEU 565 Cb -0.15 -3.94 0.18 0.00 0.03 0.00 0.00 46.19 42.31 1pg3 s LEU 565 CO -0.03 -0.21 1.10 0.20 0.23 0.00 0.00 176.35 177.63 1pg3 s ASN 566 N -2.54 2.55 0.41 2.29 0.01 -0.15 -4.67 114.94 112.84 1pg3 s ASN 566 Ca 0.51 1.83 -0.26 0.00 -0.71 0.00 0.00 52.86 54.24 1pg3 s ASN 566 Cb -0.10 -2.41 -0.08 0.00 0.41 0.00 0.00 41.25 39.06 1pg3 s ASN 566 CO 0.22 -3.27 1.27 -1.00 -1.51 0.00 0.00 177.10 172.81 1pg3 s HIS 567 N -2.67 2.87 0.00 2.20 3.76 -1.26 -2.64 115.29 117.55 1pg3 s HIS 567 Ca 0.66 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 57.02 1pg3 s HIS 567 Cb -0.22 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 29.87 1pg3 s HIS 567 CO 0.60 -1.91 0.00 0.41 -0.85 0.00 0.00 174.74 172.99 1pg3 n GLY 568 N 0.66 0.77 3.79 -2.22 0.00 -1.26 -5.05 105.19 101.88 1pg3 n GLY 568 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.72 2.91 -0.02 1.61 0.41 -1.08 -5.12 118.70 116.69 1pg3 s GLU 569 Ca 0.00 -0.70 -0.02 0.00 -0.41 0.00 0.00 54.97 53.84 1pg3 s GLU 569 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1pg3 s GLU 569 CO 0.00 0.56 0.05 -2.00 -0.49 0.00 0.00 175.26 173.38 1pg3 s GLU 570 N -2.47 0.12 0.65 1.61 2.12 -1.26 -4.90 118.70 114.57 1pg3 s GLU 570 Ca 0.30 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.43 1pg3 s GLU 570 Cb -0.12 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 1pg3 s GLU 570 CO 0.22 -0.02 1.23 -2.30 -0.54 0.00 0.00 175.26 173.85 1pg3 n PRO 571 N 2.79 1.02 -3.59 4.30 -0.02 -1.26 -4.92 135.00 133.32 1pg3 n PRO 571 Ca -0.14 0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 61.69 1pg3 n PRO 571 Cb 0.59 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.40 -0.23 0.26 2.55 1.04 -1.26 -4.99 113.70 109.67 1pg3 s SER 572 Ca 0.81 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 57.12 1pg3 s SER 572 Cb -0.38 0.31 0.41 0.00 0.10 0.00 0.00 66.02 66.47 1pg3 s SER 572 CO 0.42 -0.54 1.86 -0.65 0.98 0.00 0.00 173.24 175.31 1pg3 h PRO 573 N 2.00 1.04 -0.12 4.02 0.11 -1.99 0.35 132.00 137.41 1pg3 h PRO 573 Ca -0.20 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pg3 h PRO 573 Cb 1.22 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1pg3 h PRO 573 CO 0.27 0.69 0.06 1.49 -0.21 0.00 0.00 178.00 180.30 1pg3 h GLU 574 N 1.07 0.18 -0.03 1.05 4.22 -1.99 -1.66 114.58 117.42 1pg3 h GLU 574 Ca 0.43 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.73 1pg3 h GLU 574 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pg3 h GLU 574 CO -0.19 0.24 -0.48 1.25 -2.18 0.00 0.00 179.01 177.65 1pg3 h LEU 575 N 0.07 0.08 -0.59 1.64 5.85 -1.83 0.33 115.31 120.86 1pg3 h LEU 575 Ca 0.04 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1pg3 h LEU 575 Cb 0.12 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1pg3 h LEU 575 CO -0.01 0.55 0.24 0.22 -0.34 0.00 0.00 178.44 179.10 1pg3 h TYR 576 N 0.06 0.90 -0.21 1.25 3.20 -0.73 -0.37 116.97 121.08 1pg3 h TYR 576 Ca 0.00 -0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.63 1pg3 h TYR 576 Cb 0.87 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1pg3 h TYR 576 CO 0.01 0.72 -0.57 0.00 -1.64 0.00 0.00 178.16 176.68 1pg3 h ALA 577 N 1.09 0.60 -0.38 1.82 0.00 -0.93 -2.93 119.26 118.53 1pg3 h ALA 577 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1pg3 h ALA 577 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pg3 h ALA 577 CO -0.02 0.69 -0.07 1.49 0.00 0.00 0.00 179.25 181.35 1pg3 h GLU 578 N 0.50 0.72 -0.29 0.00 4.81 -0.61 -2.28 114.58 117.43 1pg3 h GLU 578 Ca 0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1pg3 h GLU 578 Cb 1.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1pg3 h GLU 578 CO 0.11 0.85 0.07 0.28 -0.73 0.00 0.00 179.01 179.59 1pg3 h VAL 579 N 0.52 1.21 -0.92 0.32 2.07 -1.11 0.11 116.25 118.46 1pg3 h VAL 579 Ca 0.10 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1pg3 h VAL 579 Cb 0.57 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1pg3 h VAL 579 CO 0.03 0.23 0.61 0.03 0.02 0.00 0.00 177.57 178.49 1pg3 h ARG 580 N 0.29 1.19 0.00 1.57 3.08 -1.52 -0.80 114.38 118.20 1pg3 h ARG 580 Ca 0.09 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pg3 h ARG 580 Cb 0.29 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1pg3 h ARG 580 CO 0.00 0.79 0.00 -0.91 -1.07 0.00 0.00 179.97 178.78 1pg3 h ASN 581 N 1.23 0.00 -0.20 7.04 2.35 -1.17 -2.53 115.58 122.30 1pg3 h ASN 581 Ca 0.34 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.00 1pg3 h ASN 581 Cb -0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1pg3 h ASN 581 CO -0.08 0.00 -0.24 -0.25 -1.65 0.00 0.00 177.43 175.21 1pg3 h TRP 582 N 0.00 0.63 -0.46 1.19 2.91 0.69 -1.30 115.95 119.61 1pg3 h TRP 582 Ca 0.00 -0.20 -0.10 0.00 1.13 0.00 0.00 58.89 59.72 1pg3 h TRP 582 Cb 0.67 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 1pg3 h TRP 582 CO 0.00 0.89 -0.13 0.28 -1.03 0.00 0.00 178.44 178.45 1pg3 h VAL 583 N 0.18 1.26 -0.58 2.65 2.07 -1.28 0.20 116.25 120.75 1pg3 h VAL 583 Ca 0.03 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1pg3 h VAL 583 Cb 0.80 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1pg3 h VAL 583 CO 0.06 0.43 0.21 -0.09 0.02 0.00 0.00 177.57 178.20 1pg3 h ARG 584 N 0.77 0.86 0.00 1.57 2.43 -1.39 0.14 114.38 118.75 1pg3 h ARG 584 Ca 0.12 -0.14 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1pg3 h ARG 584 Cb 0.65 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1pg3 h ARG 584 CO 0.05 0.72 -0.95 -0.22 -1.51 0.00 0.00 179.97 178.06 1pg3 h LYS 585 N 0.84 0.00 0.22 0.20 3.11 -0.89 -2.04 116.57 118.01 1pg3 h LYS 585 Ca 0.20 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.73 1pg3 h LYS 585 Cb 0.20 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 31.46 1pg3 h LYS 585 CO -0.01 0.85 -1.32 0.93 -2.81 0.00 0.00 179.45 177.09 1pg3 h GLU 586 N 0.00 0.51 0.00 1.90 4.39 -0.19 -3.37 114.58 117.81 1pg3 h GLU 586 Ca -0.03 -0.84 -0.01 0.00 0.34 0.00 0.00 59.36 58.83 1pg3 h GLU 586 Cb 1.70 0.31 -0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1pg3 h GLU 586 CO 0.11 1.40 -0.71 -0.89 -1.16 0.00 0.00 179.01 177.76 1pg3 n ILE 587 N -3.81 0.44 0.00 3.13 5.41 0.44 -3.72 119.36 121.24 1pg3 n ILE 587 Ca -0.16 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1pg3 n ILE 587 Cb 1.03 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 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 3.11 3.32 0.36 7.39 0.00 -0.76 -1.93 105.19 116.68 1pg3 n GLY 588 Ca -0.01 -1.20 0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.71 132.00 130.31 1pg3 h PRO 589 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.59 1pg3 h LEU 590 N 0.00 0.00 -2.17 1.56 3.38 -1.93 -2.20 115.31 113.95 1pg3 h LEU 590 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1pg3 h LEU 590 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pg3 h LEU 590 CO -0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1pg3 n ALA 591 N -2.32 2.43 -2.05 1.53 0.00 -0.64 -4.95 120.51 114.51 1pg3 n ALA 591 Ca -0.02 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 1pg3 n ALA 591 Cb 0.21 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.43 3.54 0.41 0.00 2.01 -0.83 -4.88 115.64 114.47 1pg3 s THR 592 Ca 0.39 0.77 -0.27 0.00 0.31 0.00 0.00 61.69 62.90 1pg3 s THR 592 Cb 0.22 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 1pg3 s THR 592 CO 0.30 -0.05 1.43 -2.84 -0.69 0.00 0.00 174.62 172.77 1pg3 s PRO 593 N 3.52 3.90 0.13 4.92 0.02 -1.26 -4.77 135.00 141.47 1pg3 s PRO 593 Ca 0.71 2.44 0.23 0.00 0.02 0.00 0.00 61.00 64.39 1pg3 s PRO 593 Cb -0.34 -2.80 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1pg3 s PRO 593 CO 0.29 -0.65 1.02 -0.25 -0.33 0.00 0.00 177.00 177.08 1pg3 n ASP 594 N 0.13 0.68 -3.82 2.53 8.00 -0.49 -4.88 116.55 118.70 1pg3 n ASP 594 Ca 0.03 0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 1pg3 n ASP 594 Cb 0.41 0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 42.02 1pg3 n ASP 594 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pg3 s VAL 595 N -3.31 -0.02 -0.19 2.53 1.01 -1.12 -5.05 120.40 114.25 1pg3 s VAL 595 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1pg3 s VAL 595 Cb 0.12 -0.08 0.03 0.00 0.00 0.00 0.00 36.38 36.44 1pg3 s VAL 595 CO 0.80 0.03 -0.17 -0.76 0.00 0.00 0.00 175.10 175.00 1pg3 s LEU 596 N 0.45 2.23 -0.39 3.92 1.43 -1.26 -1.58 118.68 123.47 1pg3 s LEU 596 Ca -0.04 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1pg3 s LEU 596 Cb -0.05 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.82 1pg3 s LEU 596 CO -0.01 -0.04 0.21 -2.28 0.23 0.00 0.00 176.35 174.45 1pg3 s HIS 597 N 1.31 3.35 -0.04 0.29 5.65 0.87 -4.99 115.29 121.73 1pg3 s HIS 597 Ca 0.03 -1.65 -0.30 0.00 0.25 0.00 0.00 55.06 53.39 1pg3 s HIS 597 Cb -0.14 -2.81 -0.03 0.00 -1.18 0.00 0.00 32.58 28.42 1pg3 s HIS 597 CO -0.11 -0.84 1.14 -1.58 -0.65 0.00 0.00 174.74 172.70 1pg3 s TRP 598 N 1.37 3.34 -0.04 3.88 0.52 -1.26 -0.41 118.94 126.34 1pg3 s TRP 598 Ca 0.02 1.36 -0.24 0.00 0.02 0.00 0.00 56.10 57.26 1pg3 s TRP 598 Cb -0.22 -3.34 0.05 0.00 -1.15 0.00 0.00 33.47 28.81 1pg3 s TRP 598 CO 0.01 -0.95 0.53 -0.08 0.02 0.00 0.00 176.95 176.48 1pg3 s THR 599 N 1.87 0.02 -0.23 2.01 -1.32 -0.22 -4.92 115.64 112.86 1pg3 s THR 599 Ca 0.54 -0.19 0.16 0.00 -1.21 0.00 0.00 61.69 60.99 1pg3 s THR 599 Cb -0.24 -0.83 0.45 0.00 -1.51 0.00 0.00 72.50 70.37 1pg3 s THR 599 CO 0.23 -0.11 1.34 0.47 -2.21 0.00 0.00 174.62 174.34 1pg3 n ASP 600 N 1.14 3.44 -3.27 8.08 8.00 -1.26 -3.87 116.55 128.81 1pg3 n ASP 600 Ca -0.20 -2.92 -0.25 0.00 0.71 0.00 0.00 54.79 52.14 1pg3 n ASP 600 Cb 0.57 -0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 1pg3 n ASP 600 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1pg3 n SER 601 N -0.61 0.98 -4.72 -2.24 3.41 -1.26 -5.10 113.62 104.08 1pg3 n SER 601 Ca 0.19 -2.85 -0.42 0.00 -0.26 0.00 0.00 58.87 55.54 1pg3 n SER 601 Cb 0.78 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1pg3 n SER 601 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pg3 s LEU 602 N -1.39 4.42 0.11 1.04 1.43 -1.26 -4.86 118.68 118.18 1pg3 s LEU 602 Ca 0.36 1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 54.90 1pg3 s LEU 602 Cb 0.15 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1pg3 s LEU 602 CO -0.10 -0.21 1.55 -2.16 0.23 0.00 0.00 176.35 175.66 1pg3 s PRO 603 N 0.62 4.23 0.21 1.29 0.04 -1.26 -5.00 135.00 135.14 1pg3 s PRO 603 Ca 0.51 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.81 1pg3 s PRO 603 Cb -0.23 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1pg3 s PRO 603 CO 0.29 -0.61 0.12 0.15 0.04 0.00 0.00 177.00 176.99 1pg3 s LYS 604 N 1.68 1.23 0.19 4.56 1.02 -1.26 -2.45 119.74 124.70 1pg3 s LYS 604 Ca 0.70 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 55.08 1pg3 s LYS 604 Cb -0.40 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.05 1pg3 s LYS 604 CO 0.31 -0.37 0.25 0.95 -0.92 0.00 0.00 175.35 175.56 1pg3 s THR 605 N -4.09 4.95 0.65 2.17 -4.23 0.60 -0.77 115.64 114.92 1pg3 s THR 605 Ca 0.39 -0.97 0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1pg3 s THR 605 Cb 0.07 -3.59 0.32 0.00 1.34 0.00 0.00 72.50 70.64 1pg3 s THR 605 CO 0.12 -0.18 1.95 0.03 -0.54 0.00 0.00 174.62 175.99 1pg3 h ARG 606 N 1.91 0.00 0.00 3.99 3.08 -1.91 0.60 114.38 122.06 1pg3 h ARG 606 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1pg3 h ARG 606 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1pg3 h ARG 606 CO 0.64 0.00 -0.14 0.43 -1.07 0.00 0.00 179.97 179.83 1pg3 n SER 607 N -3.07 0.79 0.00 7.04 7.64 -1.26 -4.93 113.62 119.83 1pg3 n SER 607 Ca -0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1pg3 n SER 607 Cb 0.40 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1pg3 n SER 607 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg3 n GLY 608 N 1.32 1.99 3.78 0.23 0.00 0.21 -5.09 105.19 107.63 1pg3 n GLY 608 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1pg3 n GLY 608 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg3 s LYS 609 N -0.50 4.06 -0.04 1.61 0.00 -1.26 -4.68 119.74 118.93 1pg3 s LYS 609 Ca 0.00 1.61 -0.19 0.00 0.00 0.00 0.00 55.97 57.39 1pg3 s LYS 609 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 37.83 35.26 1pg3 s LYS 609 CO 0.00 -0.26 0.53 -1.50 0.00 0.00 0.00 175.35 174.12 1pg3 s ILE 610 N -1.61 5.02 -0.58 3.79 2.07 -1.26 -0.29 121.20 128.34 1pg3 s ILE 610 Ca 0.59 1.10 -0.19 0.00 -1.41 0.00 0.00 60.65 60.73 1pg3 s ILE 610 Cb -0.24 -3.86 0.09 0.00 0.13 0.00 0.00 42.46 38.57 1pg3 s ILE 610 CO 0.30 0.41 0.71 0.00 -1.91 0.00 0.00 174.94 174.45 1pg3 s MET 611 N -0.05 3.07 0.00 3.50 0.00 -1.03 -4.91 119.30 119.88 1pg3 s MET 611 Ca 0.28 -1.19 0.30 0.00 0.00 0.00 0.00 55.69 55.08 1pg3 s MET 611 Cb -0.17 -4.23 1.64 0.00 0.00 0.00 0.00 34.83 32.07 1pg3 s MET 611 CO 0.14 -1.49 2.09 0.54 0.00 0.00 0.00 175.02 176.30 1pg3 n ARG 612 N 6.40 0.64 0.05 3.16 1.74 -1.26 -3.82 116.66 123.57 1pg3 n ARG 612 Ca -0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 1pg3 n ARG 612 Cb 0.43 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 1pg3 n ARG 612 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pg3 h ARG 613 N 0.00 -0.13 -0.21 5.56 2.47 -1.99 -1.41 114.38 118.67 1pg3 h ARG 613 Ca 0.00 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1pg3 h ARG 613 Cb 0.17 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1pg3 h ARG 613 CO 0.00 0.22 -0.16 0.97 0.56 0.00 0.00 179.97 181.56 1pg3 h ILE 614 N -0.51 1.22 -0.47 2.04 6.09 -2.01 -2.72 117.51 121.15 1pg3 h ILE 614 Ca -0.01 -0.99 -0.12 0.00 -1.37 0.00 0.00 64.86 62.37 1pg3 h ILE 614 Cb 0.42 1.24 -0.02 0.00 0.47 0.00 0.00 36.82 38.93 1pg3 h ILE 614 CO 0.02 0.31 -0.18 -0.07 -3.07 0.00 0.00 178.15 175.17 1pg3 h LEU 615 N 0.33 0.94 -1.17 2.19 3.38 -1.66 -2.54 115.31 116.77 1pg3 h LEU 615 Ca 0.06 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1pg3 h LEU 615 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1pg3 h LEU 615 CO 0.03 1.10 0.02 -0.09 0.09 0.00 0.00 178.44 179.59 1pg3 h ARG 616 N 0.81 0.60 0.56 1.13 2.43 -0.96 -2.03 114.38 116.93 1pg3 h ARG 616 Ca 0.12 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1pg3 h ARG 616 Cb 0.73 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1pg3 h ARG 616 CO 0.06 0.61 -0.27 0.87 -1.51 0.00 0.00 179.97 179.73 1pg3 h LYS 617 N 0.58 -0.72 -0.13 0.20 1.57 -1.25 -2.89 116.57 113.93 1pg3 h LYS 617 Ca 0.12 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1pg3 h LYS 617 Cb 0.33 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1pg3 h LYS 617 CO 0.01 -0.43 -0.20 0.82 -0.57 0.00 0.00 179.45 179.08 1pg3 h ILE 618 N -1.10 0.49 -0.90 1.86 2.04 -1.44 -1.85 117.51 116.61 1pg3 h ILE 618 Ca -0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.98 1pg3 h ILE 618 Cb 0.63 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 1pg3 h ILE 618 CO 0.13 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.86 1pg3 h ALA 619 N 0.74 2.13 -0.16 1.87 0.00 -1.45 -0.63 119.26 121.76 1pg3 h ALA 619 Ca 0.10 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1pg3 h ALA 619 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pg3 h ALA 619 CO -0.28 -0.41 -0.60 0.00 0.00 0.00 0.00 179.25 177.96 1pg3 h ALA 620 N 1.61 0.65 0.00 0.00 0.00 -1.12 -3.48 119.26 116.92 1pg3 h ALA 620 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pg3 h ALA 620 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pg3 h ALA 620 CO -0.19 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1pg3 n GLY 621 N 0.35 -0.22 0.00 0.00 0.00 -0.24 -5.00 105.19 100.08 1pg3 n GLY 621 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pg3 n GLY 621 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pg3 n ASP 622 N 0.00 0.00 -0.57 1.61 9.92 -1.01 -4.99 116.55 121.52 1pg3 n ASP 622 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pg3 n ASP 622 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1pg3 n ASP 622 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pg3 n LEU 632 N 0.00 0.03 0.00 0.64 7.99 0.05 -4.95 117.00 120.77 1pg3 n LEU 632 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 56.01 54.92 1pg3 n LEU 632 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1pg3 n LEU 632 CO 0.00 0.48 0.46 0.00 -1.51 0.00 0.00 177.39 176.82 1pg3 n ALA 633 N 0.03 0.59 -2.74 -1.18 0.00 -0.69 -3.38 120.51 113.14 1pg3 n ALA 633 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pg3 n ALA 633 Cb 0.67 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.58 1pg3 n ALA 633 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pg3 s ASP 634 N -2.47 -0.46 0.07 0.00 2.15 -1.26 -4.96 116.67 109.74 1pg3 s ASP 634 Ca 0.00 -0.42 0.05 0.00 0.43 0.00 0.00 52.55 52.61 1pg3 s ASP 634 Cb 0.00 0.60 0.25 0.00 -0.30 0.00 0.00 42.92 43.48 1pg3 s ASP 634 CO 0.00 -0.03 1.11 -0.81 -0.17 0.00 0.00 175.17 175.27 1pg3 n PRO 635 N 3.13 0.03 0.17 4.34 -0.06 -1.22 -2.11 135.00 139.28 1pg3 n PRO 635 Ca 0.10 0.50 0.03 0.00 -0.06 0.00 0.00 63.50 64.07 1pg3 n PRO 635 Cb 0.63 -1.64 0.42 0.00 -0.06 0.00 0.00 33.50 32.85 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 0.00 0.13 0.97 0.55 0.00 -1.95 -2.98 103.07 99.79 1pg3 h GLY 636 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.36 1pg3 h GLY 636 CO 0.00 0.08 0.41 -0.39 0.00 0.00 0.00 176.54 176.64 1pg3 h VAL 637 N 0.11 0.85 0.07 4.60 -1.51 -1.76 -2.79 116.25 115.83 1pg3 h VAL 637 Ca 0.02 -0.12 0.01 0.00 -1.23 0.00 0.00 66.70 65.38 1pg3 h VAL 637 Cb 0.40 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 1pg3 h VAL 637 CO 0.03 0.06 -0.11 0.58 -1.23 0.00 0.00 177.57 176.90 1pg3 h VAL 638 N 0.35 0.73 -0.61 7.19 2.07 -1.77 0.29 116.25 124.50 1pg3 h VAL 638 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1pg3 h VAL 638 Cb 0.66 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1pg3 h VAL 638 CO -0.07 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.81 1pg3 h GLU 639 N -0.23 0.83 -0.30 1.57 4.57 -1.69 0.11 114.58 119.44 1pg3 h GLU 639 Ca 0.02 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1pg3 h GLU 639 Cb 0.25 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1pg3 h GLU 639 CO -0.07 0.59 0.13 0.87 -1.18 0.00 0.00 179.01 179.35 1pg3 h LYS 640 N 0.83 0.44 -0.77 1.92 6.56 -1.40 -2.61 116.57 121.55 1pg3 h LYS 640 Ca 0.22 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.75 1pg3 h LYS 640 Cb -0.03 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.52 1pg3 h LYS 640 CO -0.04 0.44 0.50 -0.07 -2.06 0.00 0.00 179.45 178.22 1pg3 h LEU 641 N 0.34 0.87 -1.10 2.94 3.38 -0.07 -1.39 115.31 120.28 1pg3 h LEU 641 Ca 0.10 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1pg3 h LEU 641 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1pg3 h LEU 641 CO -0.01 0.62 0.61 -0.07 0.09 0.00 0.00 178.44 179.68 1pg3 h LEU 642 N 1.02 0.96 0.07 1.67 3.38 -0.57 -1.36 115.31 120.47 1pg3 h LEU 642 Ca 0.29 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 1pg3 h LEU 642 Cb -0.10 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.47 1pg3 h LEU 642 CO -0.07 0.62 -0.70 -0.33 0.09 0.00 0.00 178.44 178.05 1pg3 h GLU 643 N 1.09 0.36 -0.74 1.13 5.08 -1.07 -2.29 114.58 118.13 1pg3 h GLU 643 Ca 0.40 -0.47 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1pg3 h GLU 643 Cb 0.18 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1pg3 h GLU 643 CO -0.15 1.17 0.49 0.93 -1.00 0.00 0.00 179.01 180.44 1pg3 h GLU 644 N -0.23 0.55 -0.25 2.33 5.08 -1.07 0.84 114.58 121.84 1pg3 h GLU 644 Ca -0.11 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 1pg3 h GLU 644 Cb 1.47 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1pg3 h GLU 644 CO 0.13 0.37 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.73 1pg3 h LYS 645 N 0.57 0.76 0.00 2.33 3.11 -1.26 -2.85 116.57 119.23 1pg3 h LYS 645 Ca 0.35 -0.49 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1pg3 h LYS 645 Cb 0.58 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1pg3 h LYS 645 CO -0.12 1.11 0.00 0.37 -2.81 0.00 0.00 179.45 178.00 1pg3 h GLN 646 N 0.58 0.00 -0.02 1.90 -0.00 -0.25 -3.52 115.11 113.81 1pg3 h GLN 646 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1pg3 h GLN 646 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.62 1pg3 h GLN 646 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.95