#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgu s SER 3 N 0.00 -0.27 -0.18 -3.46 1.04 -1.26 -4.96 113.70 104.61 1pgu s SER 3 Ca 0.00 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1pgu s SER 3 Cb 0.00 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1pgu s SER 3 CO 0.00 -0.74 -0.10 -0.63 0.98 0.00 0.00 173.24 172.75 1pgu s ILE 4 N -3.17 3.02 -0.00 -1.02 1.01 -1.26 -0.99 121.20 118.80 1pgu s ILE 4 Ca 0.09 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1pgu s ILE 4 Cb -0.01 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1pgu s ILE 4 CO -0.04 0.48 -0.18 -0.94 0.00 0.00 0.00 174.94 174.26 1pgu s SER 5 N 1.03 2.16 0.20 3.58 1.04 -0.73 -4.91 113.70 116.06 1pgu s SER 5 Ca -0.01 -0.37 -0.31 0.00 0.48 0.00 0.00 55.95 55.74 1pgu s SER 5 Cb -0.15 -0.22 -0.11 0.00 0.10 0.00 0.00 66.02 65.64 1pgu s SER 5 CO -0.02 0.20 1.59 -0.22 0.98 0.00 0.00 173.24 175.78 1pgu s LEU 6 N -0.59 4.37 -0.12 2.42 2.96 -1.26 -1.09 118.68 125.36 1pgu s LEU 6 Ca 0.07 2.72 0.05 0.00 -0.22 0.00 0.00 54.13 56.75 1pgu s LEU 6 Cb -0.07 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 1pgu s LEU 6 CO -0.00 -0.86 -0.04 1.17 -1.32 0.00 0.00 176.35 175.31 1pgu n LYS 7 N 3.60 1.37 -3.55 1.98 4.81 0.12 -4.84 118.16 121.66 1pgu n LYS 7 Ca 0.13 0.03 -0.16 0.00 -0.87 0.00 0.00 58.31 57.44 1pgu n LYS 7 Cb 0.38 -1.27 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 1pgu n LYS 7 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1pgu s GLU 8 N -2.26 0.93 -0.11 1.64 2.12 -0.94 -4.95 118.70 115.13 1pgu s GLU 8 Ca -0.11 0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1pgu s GLU 8 Cb 0.04 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1pgu s GLU 8 CO 0.37 -0.27 -0.09 0.42 -0.54 0.00 0.00 175.26 175.15 1pgu s ILE 9 N -0.99 1.09 -0.52 -3.70 1.01 -1.26 -1.50 121.20 115.34 1pgu s ILE 9 Ca -0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 1pgu s ILE 9 Cb -0.01 -1.08 0.13 0.00 0.01 0.00 0.00 42.46 41.52 1pgu s ILE 9 CO 0.07 0.37 0.41 -0.63 0.00 0.00 0.00 174.94 175.16 1pgu s ILE 10 N 1.48 4.45 0.72 2.92 1.01 -0.06 -4.95 121.20 126.77 1pgu s ILE 10 Ca 0.01 -1.87 -0.12 0.00 0.00 0.00 0.00 60.65 58.68 1pgu s ILE 10 Cb -0.13 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1pgu s ILE 10 CO -0.06 -0.82 1.08 -2.16 0.00 0.00 0.00 174.94 172.98 1pgu s PRO 11 N 1.22 2.59 0.83 2.79 0.04 -1.26 -2.34 135.00 138.86 1pgu s PRO 11 Ca 0.07 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 1pgu s PRO 11 Cb -0.25 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.55 1pgu s PRO 11 CO -0.01 -1.39 0.90 -2.30 0.04 0.00 0.00 177.00 174.25 1pgu n PRO 12 N -3.15 -1.82 -3.08 0.56 -0.02 -1.26 -4.89 135.00 121.34 1pgu n PRO 12 Ca 0.09 -1.42 -0.21 0.00 -2.02 0.00 0.00 63.50 59.94 1pgu n PRO 12 Cb 0.53 -1.13 0.01 0.00 -0.02 0.00 0.00 33.50 32.89 1pgu n PRO 12 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pgu s GLN 13 N -5.01 2.97 0.55 -0.52 -1.52 0.11 -4.97 119.66 111.28 1pgu s GLN 13 Ca 0.55 -0.76 -0.21 0.00 -1.95 0.00 0.00 55.36 52.98 1pgu s GLN 13 Cb -0.03 -2.64 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 1pgu s GLN 13 CO 0.40 -0.24 1.33 -2.14 -0.25 0.00 0.00 175.29 174.38 1pgu s PRO 14 N -4.46 3.15 0.51 2.91 0.02 -1.26 -4.66 135.00 131.21 1pgu s PRO 14 Ca 0.49 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 63.45 1pgu s PRO 14 Cb -0.10 -2.22 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 1pgu s PRO 14 CO 0.35 -1.16 1.24 0.45 -0.33 0.00 0.00 177.00 177.56 1pgu s SER 15 N -1.06 5.73 0.02 2.53 0.15 0.15 -4.74 113.70 116.48 1pgu s SER 15 Ca 0.72 2.49 -0.06 0.00 0.70 0.00 0.00 55.95 59.80 1pgu s SER 15 Cb -0.38 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.31 1pgu s SER 15 CO 0.45 -1.23 0.11 -0.89 1.20 0.00 0.00 173.24 172.88 1pgu s THR 16 N -1.46 0.10 -0.05 6.45 2.01 -1.26 -4.89 115.64 116.54 1pgu s THR 16 Ca 0.68 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1pgu s THR 16 Cb -0.33 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1pgu s THR 16 CO 0.39 -0.47 0.13 -1.10 -0.69 0.00 0.00 174.62 172.88 1pgu s GLN 17 N -1.85 0.11 0.33 4.92 -0.21 -1.26 -5.10 119.66 116.60 1pgu s GLN 17 Ca -0.11 0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.23 1pgu s GLN 17 Cb -0.06 -0.05 -0.11 0.00 1.00 0.00 0.00 33.01 33.79 1pgu s GLN 17 CO -0.01 -0.09 1.51 0.50 -2.12 0.00 0.00 175.29 175.09 1pgu s ARG 18 N 0.58 4.14 0.00 2.91 6.06 -1.26 -1.93 118.95 129.46 1pgu s ARG 18 Ca -0.04 2.53 0.00 0.00 -2.50 0.00 0.00 55.73 55.71 1pgu s ARG 18 Cb -0.06 -3.01 0.00 0.00 0.06 0.00 0.00 34.95 31.94 1pgu s ARG 18 CO -0.03 -0.54 0.00 0.09 -2.50 0.00 0.00 175.30 172.33 1pgu n ASN 19 N 1.33 -0.37 -4.39 -2.12 3.02 -1.26 -4.99 115.26 106.47 1pgu n ASN 19 Ca 0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.35 1pgu n ASN 19 Cb 0.39 -0.75 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 1pgu n ASN 19 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pgu s PHE 20 N -3.03 2.08 0.13 3.10 0.40 -0.81 -5.14 117.98 114.71 1pgu s PHE 20 Ca 0.00 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1pgu s PHE 20 Cb 0.00 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.46 1pgu s PHE 20 CO 0.00 0.45 0.34 0.99 0.70 0.00 0.00 175.22 177.70 1pgu s THR 21 N -1.95 5.21 -0.29 0.64 2.01 -1.26 -4.63 115.64 115.38 1pgu s THR 21 Ca 0.20 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1pgu s THR 21 Cb -0.07 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.88 1pgu s THR 21 CO 0.09 0.05 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.14 1pgu s THR 22 N -1.63 2.48 -0.42 -0.82 2.01 -0.78 -4.97 115.64 111.50 1pgu s THR 22 Ca 0.40 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 1pgu s THR 22 Cb -0.12 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.90 1pgu s THR 22 CO 0.25 -0.14 1.30 -1.00 -0.69 0.00 0.00 174.62 174.34 1pgu s HIS 23 N 1.13 2.59 0.35 4.92 3.76 -1.26 -4.38 115.29 122.40 1pgu s HIS 23 Ca -0.05 0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 55.55 1pgu s HIS 23 Cb -0.20 -4.30 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 1pgu s HIS 23 CO -0.04 -1.68 0.59 -0.51 -0.85 0.00 0.00 174.74 172.25 1pgu s LEU 24 N 4.96 3.96 0.02 0.89 1.43 -1.26 -4.53 118.68 124.15 1pgu s LEU 24 Ca 0.56 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 1pgu s LEU 24 Cb -0.12 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1pgu s LEU 24 CO 0.31 -0.31 -0.14 -0.55 0.23 0.00 0.00 176.35 175.89 1pgu s SER 25 N -3.72 1.65 -0.00 2.29 0.15 -1.03 -4.94 113.70 108.10 1pgu s SER 25 Ca 0.43 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.73 1pgu s SER 25 Cb -0.10 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1pgu s SER 25 CO 0.35 0.09 -0.09 -0.47 1.20 0.00 0.00 173.24 174.32 1pgu s TYR 26 N -0.65 0.82 -0.22 3.44 5.04 -1.26 0.03 117.35 124.55 1pgu s TYR 26 Ca 0.03 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 1pgu s TYR 26 Cb -0.07 -0.52 0.03 0.00 0.35 0.00 0.00 41.96 41.75 1pgu s TYR 26 CO 0.01 -0.01 -0.14 0.34 -1.34 0.00 0.00 175.55 174.40 1pgu s ASP 27 N -0.36 3.81 0.07 4.32 3.68 -0.09 -4.91 116.67 123.19 1pgu s ASP 27 Ca 0.02 -0.92 -0.25 0.00 2.13 0.00 0.00 52.55 53.53 1pgu s ASP 27 Cb -0.04 -1.55 -0.16 0.00 -1.45 0.00 0.00 42.92 39.72 1pgu s ASP 27 CO -0.00 -0.09 1.62 -0.65 0.13 0.00 0.00 175.17 176.18 1pgu h PRO 28 N 7.91 -0.19 -0.94 4.34 0.11 -1.93 0.10 132.00 141.40 1pgu h PRO 28 Ca -0.35 0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.04 1pgu h PRO 28 Cb 1.10 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1pgu h PRO 28 CO 0.57 -0.05 0.66 1.15 -0.21 0.00 0.00 178.00 180.12 1pgu h THR 29 N -0.28 0.56 -0.01 -1.15 2.02 -1.98 -1.56 112.91 110.51 1pgu h THR 29 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1pgu h THR 29 Cb 0.22 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1pgu h THR 29 CO 0.03 0.02 -0.03 1.07 0.37 0.00 0.00 175.52 176.98 1pgu n THR 30 N -4.34 0.00 -4.00 3.16 5.66 -1.17 -5.00 114.28 108.59 1pgu n THR 30 Ca 0.20 -0.49 -0.27 0.00 -3.05 0.00 0.00 64.05 60.45 1pgu n THR 30 Cb 0.94 1.13 -0.03 0.00 -1.55 0.00 0.00 70.33 70.82 1pgu n THR 30 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pgu n ASN 31 N 0.22 -0.57 -4.30 1.09 5.15 0.34 -4.67 115.26 112.53 1pgu n ASN 31 Ca 0.04 -1.02 -0.16 0.00 -0.60 0.00 0.00 54.58 52.83 1pgu n ASN 31 Cb 0.16 -2.94 -0.10 0.00 -0.53 0.00 0.00 39.78 36.37 1pgu n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pgu s ALA 32 N -3.92 1.69 0.09 5.20 0.00 -1.09 0.45 121.76 124.19 1pgu s ALA 32 Ca 0.08 -1.62 0.09 0.00 0.00 0.00 0.00 51.96 50.52 1pgu s ALA 32 Cb -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1pgu s ALA 32 CO 0.90 -0.11 -0.24 0.96 0.00 0.00 0.00 175.76 177.26 1pgu s ILE 33 N -3.28 2.01 0.10 0.00 -4.36 -0.60 -0.91 121.20 114.16 1pgu s ILE 33 Ca 0.22 -1.54 0.09 0.00 -0.26 0.00 0.00 60.65 59.15 1pgu s ILE 33 Cb 0.03 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1pgu s ILE 33 CO 0.04 0.13 -0.19 0.00 0.24 0.00 0.00 174.94 175.16 1pgu s ALA 34 N -0.99 2.63 -0.08 2.27 0.00 0.10 -0.91 121.76 124.78 1pgu s ALA 34 Ca 0.11 -1.32 -0.31 0.00 0.00 0.00 0.00 51.96 50.44 1pgu s ALA 34 Cb -0.10 -0.65 0.12 0.00 0.00 0.00 0.00 23.12 22.49 1pgu s ALA 34 CO 0.04 0.58 1.00 1.52 0.00 0.00 0.00 175.76 178.90 1pgu s TYR 35 N -1.07 -0.29 0.36 0.00 -0.85 -0.37 -2.45 117.35 112.67 1pgu s TYR 35 Ca 0.17 0.25 -0.00 0.00 -0.52 0.00 0.00 57.07 56.96 1pgu s TYR 35 Cb -0.10 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1pgu s TYR 35 CO 0.08 -0.41 0.57 -1.25 -1.52 0.00 0.00 175.55 173.02 1pgu s PRO 36 N -2.57 3.49 -0.30 -3.49 0.04 -1.26 -0.96 135.00 129.96 1pgu s PRO 36 Ca 0.05 -0.27 -0.13 0.00 0.04 0.00 0.00 61.00 60.68 1pgu s PRO 36 Cb -0.01 -2.63 0.16 0.00 0.04 0.00 0.00 34.50 32.06 1pgu s PRO 36 CO -0.06 0.12 0.92 0.00 0.04 0.00 0.00 177.00 178.02 1pgu n GLY 38 N 5.11 2.86 1.92 0.00 0.00 -1.26 -1.83 105.19 111.99 1pgu n GLY 38 Ca -0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1pgu n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pgu n LYS 39 N 13.71 1.95 -4.16 1.61 5.02 -1.26 -1.02 118.16 133.99 1pgu n LYS 39 Ca 0.00 -2.22 -0.12 0.00 -2.02 0.00 0.00 58.31 53.95 1pgu n LYS 39 Cb 0.00 -1.87 -0.10 0.00 -0.02 0.00 0.00 35.03 33.04 1pgu n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pgu s SER 40 N -0.69 1.23 -0.12 4.39 0.01 -0.76 -4.55 113.70 113.21 1pgu s SER 40 Ca 0.42 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1pgu s SER 40 Cb 0.35 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 1pgu s SER 40 CO 0.07 -0.38 -0.19 0.00 0.41 0.00 0.00 173.24 173.15 1pgu s ALA 41 N -3.07 2.36 0.15 1.44 0.00 -0.63 -2.09 121.76 119.92 1pgu s ALA 41 Ca 0.08 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1pgu s ALA 41 Cb 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1pgu s ALA 41 CO -0.03 0.24 -0.20 -0.06 0.00 0.00 0.00 175.76 175.71 1pgu s PHE 42 N 0.40 2.44 -0.15 0.00 0.40 -0.13 -0.70 117.98 120.24 1pgu s PHE 42 Ca -0.15 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1pgu s PHE 42 Cb -0.17 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.13 1pgu s PHE 42 CO 0.07 0.42 -0.05 0.08 0.70 0.00 0.00 175.22 176.43 1pgu s VAL 43 N -1.32 1.03 -0.22 -0.44 1.01 -0.44 -1.24 120.40 118.79 1pgu s VAL 43 Ca 0.19 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1pgu s VAL 43 Cb -0.10 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1pgu s VAL 43 CO 0.10 0.16 -0.08 -0.60 0.00 0.00 0.00 175.10 174.67 1pgu s ARG 44 N 1.67 3.15 0.16 2.72 3.52 -0.09 -1.49 118.95 128.60 1pgu s ARG 44 Ca 0.01 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1pgu s ARG 44 Cb -0.15 -2.91 -0.08 0.00 -1.56 0.00 0.00 34.95 30.25 1pgu s ARG 44 CO -0.08 -0.26 1.30 0.00 -0.81 0.00 0.00 175.30 175.46 1pgu n LEU 46 N 3.05 0.29 -4.70 0.00 4.77 0.17 -4.90 117.00 115.69 1pgu n LEU 46 Ca 0.07 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.80 1pgu n LEU 46 Cb 0.43 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1pgu n LEU 46 CO 0.57 0.06 1.40 0.47 -1.33 0.00 0.00 177.39 178.56 1pgu n ASP 47 N -1.24 3.85 0.08 -1.43 10.43 -1.25 -4.91 116.55 122.09 1pgu n ASP 47 Ca 0.11 1.03 -0.23 0.00 2.57 0.00 0.00 54.79 58.26 1pgu n ASP 47 Cb 0.30 -1.53 -0.15 0.00 1.84 0.00 0.00 41.12 41.58 1pgu n ASP 47 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1pgu h ASP 48 N 7.59 0.65 -2.89 -2.24 -0.00 -1.98 -3.46 116.42 114.10 1pgu h ASP 48 Ca -0.45 -0.94 -0.63 0.00 -0.00 0.00 0.00 57.03 55.01 1pgu h ASP 48 Cb 1.22 -0.21 -0.07 0.00 -0.00 0.00 0.00 39.33 40.27 1pgu h ASP 48 CO 0.94 1.79 -0.36 -0.83 -0.00 0.00 0.00 179.24 180.78 1pgu s GLY 49 N -5.06 2.28 0.17 7.15 0.00 -1.26 -5.03 107.32 105.57 1pgu s GLY 49 Ca -0.15 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 1pgu s GLY 49 CO 0.87 -0.05 0.65 2.09 0.00 0.00 0.00 173.10 176.65 1pgu n ASP 50 N 2.21 -0.88 -0.77 1.64 3.85 -1.26 -4.98 116.55 116.36 1pgu n ASP 50 Ca -0.16 1.14 0.00 0.00 -0.71 0.00 0.00 54.79 55.05 1pgu n ASP 50 Cb 0.53 -0.96 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 1pgu n ASP 50 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1pgu n SER 51 N 1.88 0.00 0.02 -1.12 3.41 -1.26 -5.04 113.62 111.51 1pgu n SER 51 Ca 0.18 -0.77 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 1pgu n SER 51 Cb 0.22 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.47 1pgu n SER 51 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pgu n LYS 52 N 0.00 0.08 -3.05 4.33 4.76 -1.26 -4.86 118.16 118.16 1pgu n LYS 52 Ca 0.00 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.07 1pgu n LYS 52 Cb 0.00 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 31.59 1pgu n LYS 52 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pgu s VAL 53 N -3.04 4.81 0.41 -0.18 1.01 -1.26 -4.88 120.40 117.26 1pgu s VAL 53 Ca 0.10 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.33 1pgu s VAL 53 Cb 0.17 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1pgu s VAL 53 CO 0.67 0.37 1.29 -2.16 0.00 0.00 0.00 175.10 175.27 1pgu s PRO 54 N -0.02 3.94 0.24 2.72 0.04 -1.26 -4.91 135.00 135.75 1pgu s PRO 54 Ca 0.36 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 1pgu s PRO 54 Cb -0.20 -2.72 0.31 0.00 0.04 0.00 0.00 34.50 31.93 1pgu s PRO 54 CO 0.21 -0.50 1.87 -1.35 0.04 0.00 0.00 177.00 177.26 1pgu h PRO 55 N 2.61 1.03 -3.37 0.56 0.11 -1.93 -3.38 132.00 127.63 1pgu h PRO 55 Ca -0.50 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.35 1pgu h PRO 55 Cb 1.25 -0.23 -0.28 0.00 0.11 0.00 0.00 31.00 31.85 1pgu h PRO 55 CO 0.62 0.68 -0.56 0.08 -0.21 0.00 0.00 178.00 178.61 1pgu s VAL 56 N -6.08 -0.01 -0.11 3.15 1.01 -1.26 -1.63 120.40 115.48 1pgu s VAL 56 Ca -0.13 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1pgu s VAL 56 Cb 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.36 1pgu s VAL 56 CO 0.80 0.01 -0.19 -0.69 0.00 0.00 0.00 175.10 175.04 1pgu s VAL 57 N 0.29 1.71 -0.23 2.92 1.01 -0.55 -4.98 120.40 120.56 1pgu s VAL 57 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1pgu s VAL 57 Cb -0.03 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1pgu s VAL 57 CO -0.01 0.48 -0.09 -1.58 0.00 0.00 0.00 175.10 173.91 1pgu s GLN 58 N 0.72 1.94 -0.20 2.72 0.74 -1.26 -1.33 119.66 123.00 1pgu s GLN 58 Ca -0.11 -1.05 -0.17 0.00 0.05 0.00 0.00 55.36 54.08 1pgu s GLN 58 Cb -0.16 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1pgu s GLN 58 CO 0.02 -0.53 0.46 0.12 -0.55 0.00 0.00 175.29 174.80 1pgu s PHE 59 N 1.31 3.37 -0.71 1.67 5.36 0.13 -4.94 117.98 124.17 1pgu s PHE 59 Ca -0.05 0.69 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 1pgu s PHE 59 Cb -0.18 -2.59 0.26 0.00 -0.34 0.00 0.00 43.02 40.16 1pgu s PHE 59 CO -0.07 -0.05 1.21 0.25 -1.46 0.00 0.00 175.22 175.11 1pgu n THR 60 N 4.43 1.07 0.29 0.12 -2.24 -1.26 -1.61 114.28 115.08 1pgu n THR 60 Ca -0.07 -1.05 0.18 0.00 -2.27 0.00 0.00 64.05 60.84 1pgu n THR 60 Cb 0.51 0.46 0.92 0.00 -2.10 0.00 0.00 70.33 70.11 1pgu n THR 60 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pgu h GLY 61 N 1.62 0.00 1.24 3.38 0.00 -1.92 -2.77 103.07 104.61 1pgu h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pgu h GLY 61 CO 0.01 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.97 1pgu n HIS 62 N -2.81 0.00 0.00 5.60 8.25 -1.26 -4.93 115.22 120.07 1pgu n HIS 62 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1pgu n HIS 62 Cb 0.11 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1pgu n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pgu n GLY 63 N 0.26 3.51 0.13 -1.41 0.00 -1.05 -2.17 105.19 104.47 1pgu n GLY 63 Ca 0.12 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1pgu n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pgu n SER 64 N 8.79 0.51 -4.75 1.61 3.41 -1.26 -4.86 113.62 117.07 1pgu n SER 64 Ca 0.00 -0.68 -0.36 0.00 -0.26 0.00 0.00 58.87 57.57 1pgu n SER 64 Cb 0.00 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1pgu n SER 64 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pgu s SER 65 N -2.40 6.43 0.26 4.04 0.15 -0.92 -5.02 113.70 116.23 1pgu s SER 65 Ca 0.31 0.50 -0.31 0.00 0.70 0.00 0.00 55.95 57.15 1pgu s SER 65 Cb 0.20 -2.16 -0.12 0.00 -1.71 0.00 0.00 66.02 62.24 1pgu s SER 65 CO 0.46 0.16 1.64 -0.69 1.20 0.00 0.00 173.24 176.01 1pgu s VAL 66 N 0.17 2.06 0.16 4.45 1.01 -1.26 -4.60 120.40 122.39 1pgu s VAL 66 Ca 0.16 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1pgu s VAL 66 Cb -0.13 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1pgu s VAL 66 CO 0.04 0.01 0.93 -0.69 0.00 0.00 0.00 175.10 175.39 1pgu s VAL 67 N 0.46 4.33 -0.04 2.92 1.01 -0.19 -0.77 120.40 128.12 1pgu s VAL 67 Ca 0.68 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.77 1pgu s VAL 67 Cb -0.48 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.48 1pgu s VAL 67 CO 0.42 0.40 0.11 0.35 0.00 0.00 0.00 175.10 176.38 1pgu n THR 68 N 2.21 0.25 -3.62 3.92 -2.24 -0.11 -4.54 114.28 110.15 1pgu n THR 68 Ca -0.00 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1pgu n THR 68 Cb 0.48 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 1pgu n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pgu s THR 69 N -2.40 0.00 -0.10 4.28 -1.32 -1.20 -4.76 115.64 110.14 1pgu s THR 69 Ca -0.03 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1pgu s THR 69 Cb 0.04 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1pgu s THR 69 CO 0.34 0.00 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.98 1pgu s VAL 70 N 0.23 0.93 -0.07 5.08 1.01 -1.26 -1.52 120.40 124.80 1pgu s VAL 70 Ca -0.00 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1pgu s VAL 70 Cb -0.05 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1pgu s VAL 70 CO 0.00 0.34 -0.17 -0.54 0.00 0.00 0.00 175.10 174.74 1pgu s LYS 71 N 1.55 2.16 0.53 2.72 -0.14 0.27 -4.25 119.74 122.58 1pgu s LYS 71 Ca 0.01 -0.60 -0.20 0.00 -1.36 0.00 0.00 55.97 53.82 1pgu s LYS 71 Cb -0.13 -1.73 -0.06 0.00 -1.68 0.00 0.00 37.83 34.23 1pgu s LYS 71 CO -0.06 0.12 1.14 -0.06 -0.76 0.00 0.00 175.35 175.73 1pgu s PHE 72 N 0.45 2.68 0.46 3.18 0.40 -1.26 -1.07 117.98 122.82 1pgu s PHE 72 Ca -0.14 1.54 -0.20 0.00 -0.60 0.00 0.00 56.93 57.52 1pgu s PHE 72 Cb -0.16 -3.32 -0.10 0.00 0.51 0.00 0.00 43.02 39.95 1pgu s PHE 72 CO 0.05 -1.61 0.98 0.45 0.70 0.00 0.00 175.22 175.79 1pgu s SER 73 N -1.69 6.71 0.42 1.36 0.15 -0.82 -4.86 113.70 114.97 1pgu s SER 73 Ca 0.72 1.76 0.23 0.00 0.70 0.00 0.00 55.95 59.36 1pgu s SER 73 Cb -0.25 -2.54 0.62 0.00 -1.71 0.00 0.00 66.02 62.13 1pgu s SER 73 CO 0.29 -0.52 1.70 -0.65 1.20 0.00 0.00 173.24 175.25 1pgu h PRO 74 N 1.70 0.00 -6.00 5.44 0.11 -1.87 -3.44 132.00 127.94 1pgu h PRO 74 Ca -0.49 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 1pgu h PRO 74 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1pgu h PRO 74 CO 0.60 0.18 1.45 0.42 -0.21 0.00 0.00 178.00 180.44 1pgu s ILE 75 N -3.35 3.15 -0.03 4.15 -1.09 -1.26 -4.88 121.20 117.89 1pgu s ILE 75 Ca 0.03 0.15 -0.36 0.00 -2.23 0.00 0.00 60.65 58.24 1pgu s ILE 75 Cb 0.08 -3.23 -0.14 0.00 -1.58 0.00 0.00 42.46 37.58 1pgu s ILE 75 CO 0.66 -0.17 1.65 0.29 -1.23 0.00 0.00 174.94 176.13 1pgu n LYS 76 N 8.74 1.70 -0.00 2.79 5.02 -1.26 -1.37 118.16 133.78 1pgu n LYS 76 Ca 0.29 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1pgu n LYS 76 Cb 0.47 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1pgu n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgu n GLY 77 N 3.66 2.89 0.39 0.72 0.00 -1.26 -4.87 105.19 106.71 1pgu n GLY 77 Ca 0.21 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.41 1pgu n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pgu h SER 78 N 0.00 0.30 -2.32 1.61 4.64 -1.60 -3.45 113.55 112.73 1pgu h SER 78 Ca 0.00 0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 60.96 1pgu h SER 78 Cb 0.00 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 1pgu h SER 78 CO 0.00 0.15 -0.46 0.00 -0.87 0.00 0.00 176.83 175.65 1pgu n GLN 79 N -4.45 -1.46 -4.06 4.77 6.02 -1.26 -4.93 117.38 112.01 1pgu n GLN 79 Ca 0.15 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.81 1pgu n GLN 79 Cb 0.61 -5.46 -0.06 0.00 1.02 0.00 0.00 30.24 26.35 1pgu n GLN 79 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1pgu s TYR 80 N -2.89 3.18 0.13 1.08 1.51 -1.26 -2.75 117.35 116.34 1pgu s TYR 80 Ca 0.00 0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 1pgu s TYR 80 Cb 0.00 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1pgu s TYR 80 CO 0.00 0.52 0.19 -0.51 -1.11 0.00 0.00 175.55 174.64 1pgu s LEU 81 N -2.64 1.38 -0.04 -1.29 1.02 0.32 -1.95 118.68 115.48 1pgu s LEU 81 Ca 0.30 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.56 1pgu s LEU 81 Cb -0.11 0.88 0.03 0.00 0.02 0.00 0.00 46.19 47.00 1pgu s LEU 81 CO 0.22 -0.79 -0.01 0.00 0.02 0.00 0.00 176.35 175.79 1pgu s SER 83 N 1.14 1.75 0.22 0.00 1.04 -0.43 -0.56 113.70 116.87 1pgu s SER 83 Ca -0.08 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 55.66 1pgu s SER 83 Cb -0.14 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1pgu s SER 83 CO -0.02 -0.16 -0.11 -0.83 0.98 0.00 0.00 173.24 173.10 1pgu s GLY 84 N -2.26 1.53 0.40 7.32 0.00 -0.57 -0.15 107.32 113.58 1pgu s GLY 84 Ca 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.09 1pgu s GLY 84 CO 0.02 -1.77 0.18 0.51 0.00 0.00 0.00 173.10 172.04 1pgu s ASP 85 N -3.35 2.58 0.53 1.64 3.84 -0.53 -0.93 116.67 120.46 1pgu s ASP 85 Ca 0.24 -1.74 0.34 0.00 -0.00 0.00 0.00 52.55 51.40 1pgu s ASP 85 Cb 0.01 0.59 1.57 0.00 -1.38 0.00 0.00 42.92 43.70 1pgu s ASP 85 CO 0.08 -1.01 2.03 -0.33 -0.00 0.00 0.00 175.17 175.94 1pgu h GLU 86 N 1.83 0.00 -0.09 2.11 5.08 -1.24 -1.80 114.58 120.47 1pgu h GLU 86 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1pgu h GLU 86 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pgu h GLU 86 CO 0.49 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 1pgu n SER 87 N -2.93 0.76 -0.17 1.42 3.41 -1.26 -2.81 113.62 112.04 1pgu n SER 87 Ca -0.00 -1.65 -0.02 0.00 -0.26 0.00 0.00 58.87 56.93 1pgu n SER 87 Cb 0.22 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1pgu n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgu n GLY 88 N 0.90 0.55 3.76 5.00 0.00 -0.73 -4.74 105.19 109.92 1pgu n GLY 88 Ca 0.13 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1pgu n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pgu s LYS 89 N -2.22 3.77 -0.11 1.61 2.20 -1.26 -2.04 119.74 121.69 1pgu s LYS 89 Ca 0.00 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1pgu s LYS 89 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1pgu s LYS 89 CO 0.00 0.50 -0.09 0.08 -0.36 0.00 0.00 175.35 175.48 1pgu s VAL 90 N -0.24 3.51 -0.05 4.02 1.01 -0.30 -1.45 120.40 126.90 1pgu s VAL 90 Ca 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1pgu s VAL 90 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1pgu s VAL 90 CO 0.01 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 1pgu s ILE 91 N -0.19 0.76 -0.26 2.22 1.01 0.79 -0.72 121.20 124.81 1pgu s ILE 91 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1pgu s ILE 91 Cb -0.13 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1pgu s ILE 91 CO 0.03 0.27 0.18 -0.69 0.00 0.00 0.00 174.94 174.73 1pgu s VAL 92 N 0.78 5.33 0.11 2.92 1.01 0.54 -1.32 120.40 129.76 1pgu s VAL 92 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1pgu s VAL 92 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1pgu s VAL 92 CO 0.02 0.29 -0.01 -1.66 0.00 0.00 0.00 175.10 173.74 1pgu s TRP 93 N 1.48 0.82 0.05 5.22 1.48 -0.28 -0.34 118.94 127.37 1pgu s TRP 93 Ca 0.07 -1.08 0.02 0.00 -1.06 0.00 0.00 56.10 54.05 1pgu s TRP 93 Cb -0.15 -0.50 -0.03 0.00 -1.16 0.00 0.00 33.47 31.63 1pgu s TRP 93 CO 0.08 -0.34 -0.07 0.20 -4.06 0.00 0.00 176.95 172.77 1pgu s GLY 94 N -3.03 0.54 0.22 3.67 0.00 0.17 -0.52 107.32 108.37 1pgu s GLY 94 Ca 0.16 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 44.07 1pgu s GLY 94 CO -0.03 -0.99 -0.19 0.66 0.00 0.00 0.00 173.10 172.55 1pgu s TRP 95 N -2.09 2.08 0.05 1.90 1.48 -1.11 -0.18 118.94 121.06 1pgu s TRP 95 Ca -0.04 -0.41 0.05 0.00 -1.06 0.00 0.00 56.10 54.63 1pgu s TRP 95 Cb -0.05 -0.96 -0.02 0.00 -1.16 0.00 0.00 33.47 31.27 1pgu s TRP 95 CO -0.02 0.53 -0.14 0.99 -4.06 0.00 0.00 176.95 174.25 1pgu s THR 96 N -2.36 1.09 -0.06 0.66 2.01 0.22 -4.92 115.64 112.27 1pgu s THR 96 Ca 0.24 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1pgu s THR 96 Cb -0.05 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1pgu s THR 96 CO 0.11 -0.10 -0.04 0.12 -0.69 0.00 0.00 174.62 174.02 1pgu s PHE 97 N -1.03 0.83 -0.59 4.92 5.36 -1.26 -1.51 117.98 124.70 1pgu s PHE 97 Ca -0.00 -0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1pgu s PHE 97 Cb -0.09 -0.79 0.15 0.00 -0.34 0.00 0.00 43.02 41.95 1pgu s PHE 97 CO 0.02 -0.28 0.41 0.34 -1.46 0.00 0.00 175.22 174.25 1pgu s ASP 98 N 1.34 5.37 0.20 6.13 2.15 -0.94 -4.99 116.67 125.94 1pgu s ASP 98 Ca -0.04 -2.62 -0.21 0.00 0.43 0.00 0.00 52.55 50.10 1pgu s ASP 98 Cb -0.13 -1.88 0.14 0.00 -0.30 0.00 0.00 42.92 40.74 1pgu s ASP 98 CO -0.02 -0.44 1.56 0.11 -0.17 0.00 0.00 175.17 176.21 1pgu h LYS 99 N 7.37 -0.09 -0.72 4.34 1.57 -1.90 0.20 116.57 127.34 1pgu h LYS 99 Ca -0.04 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1pgu h LYS 99 Cb 0.98 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.21 1pgu h LYS 99 CO 0.72 -0.06 0.17 1.49 -0.57 0.00 0.00 179.45 181.20 1pgu h GLU 100 N -0.09 0.25 0.00 3.15 4.57 -1.98 0.67 114.58 121.15 1pgu h GLU 100 Ca 0.27 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1pgu h GLU 100 Cb 0.56 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1pgu h GLU 100 CO -0.83 0.17 -0.38 0.43 -1.18 0.00 0.00 179.01 177.22 1pgu n SER 101 N -5.16 0.42 -3.21 1.04 7.64 -0.65 -4.93 113.62 108.77 1pgu n SER 101 Ca 0.13 0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.81 1pgu n SER 101 Cb 0.44 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1pgu n SER 101 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pgu n ASN 102 N -1.63 -5.47 -4.50 6.43 5.15 0.61 -4.96 115.26 110.89 1pgu n ASN 102 Ca 0.06 -0.36 -0.33 0.00 -0.60 0.00 0.00 54.58 53.34 1pgu n ASN 102 Cb 0.36 -4.42 -0.12 0.00 -0.53 0.00 0.00 39.78 35.06 1pgu n ASN 102 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pgu s SER 103 N -2.80 4.49 -0.18 1.20 1.04 -1.16 -4.99 113.70 111.30 1pgu s SER 103 Ca 0.38 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 1pgu s SER 103 Cb -0.18 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.51 1pgu s SER 103 CO 0.46 0.26 -0.09 -0.69 0.98 0.00 0.00 173.24 174.16 1pgu s VAL 104 N -0.18 3.13 -0.13 5.02 1.01 -1.26 -2.22 120.40 125.77 1pgu s VAL 104 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1pgu s VAL 104 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1pgu s VAL 104 CO 0.03 0.48 0.02 -1.61 0.00 0.00 0.00 175.10 174.02 1pgu s GLU 105 N 0.95 3.44 -0.17 2.72 2.02 -0.57 -4.95 118.70 122.14 1pgu s GLU 105 Ca -0.01 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.59 1pgu s GLU 105 Cb -0.15 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.14 1pgu s GLU 105 CO -0.00 0.49 -0.14 0.08 0.02 0.00 0.00 175.26 175.71 1pgu s VAL 106 N -0.29 1.68 -0.08 2.63 1.01 -1.26 -0.61 120.40 123.49 1pgu s VAL 106 Ca 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1pgu s VAL 106 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1pgu s VAL 106 CO 0.02 0.40 -0.14 0.20 0.00 0.00 0.00 175.10 175.58 1pgu s ASN 107 N 1.43 4.03 -0.24 3.32 0.01 0.74 -4.97 114.94 119.26 1pgu s ASN 107 Ca 0.03 -0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 51.74 1pgu s ASN 107 Cb -0.14 -1.10 -0.02 0.00 0.41 0.00 0.00 41.25 40.40 1pgu s ASN 107 CO -0.10 0.29 0.65 -0.69 -1.51 0.00 0.00 177.10 175.74 1pgu s VAL 108 N -0.38 4.98 -0.07 1.60 1.01 -1.26 -0.66 120.40 125.61 1pgu s VAL 108 Ca 0.04 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 1pgu s VAL 108 Cb -0.12 -3.96 -0.29 0.00 0.00 0.00 0.00 36.38 32.00 1pgu s VAL 108 CO 0.02 0.04 0.64 0.50 0.00 0.00 0.00 175.10 176.30 1pgu h LYS 109 N 7.76 0.33 -1.99 2.72 3.64 -1.04 -3.49 116.57 124.49 1pgu h LYS 109 Ca -0.28 -0.56 -0.03 0.00 -1.27 0.00 0.00 60.65 58.52 1pgu h LYS 109 Cb 1.12 0.21 -0.19 0.00 -0.41 0.00 0.00 32.23 32.96 1pgu h LYS 109 CO 0.78 1.27 0.27 -1.54 -2.27 0.00 0.00 179.45 177.96 1pgu s SER 110 N -7.17 -0.59 -0.04 4.20 1.04 -0.96 -5.00 113.70 105.18 1pgu s SER 110 Ca -0.17 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 1pgu s SER 110 Cb 0.05 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1pgu s SER 110 CO 0.81 -0.58 0.00 -1.83 0.98 0.00 0.00 173.24 172.62 1pgu s GLU 111 N -1.40 0.39 -0.07 4.02 -1.05 -1.26 -0.34 118.70 118.99 1pgu s GLU 111 Ca -0.08 0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.86 1pgu s GLU 111 Cb -0.00 -0.62 0.01 0.00 -0.44 0.00 0.00 34.13 33.07 1pgu s GLU 111 CO 0.06 -0.18 -0.16 -0.06 0.95 0.00 0.00 175.26 175.88 1pgu s PHE 112 N 1.30 1.74 -0.84 4.83 0.40 0.11 -5.00 117.98 120.51 1pgu s PHE 112 Ca -0.06 -0.62 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 1pgu s PHE 112 Cb -0.13 -1.21 0.08 0.00 0.51 0.00 0.00 43.02 42.27 1pgu s PHE 112 CO -0.02 -0.28 1.15 -1.14 0.70 0.00 0.00 175.22 175.64 1pgu s GLN 113 N 0.43 3.40 -0.10 0.44 2.00 -1.26 -1.15 119.66 123.42 1pgu s GLN 113 Ca -0.13 -1.18 0.08 0.00 -2.00 0.00 0.00 55.36 52.14 1pgu s GLN 113 Cb -0.15 -4.71 -0.24 0.00 0.80 0.00 0.00 33.01 28.72 1pgu s GLN 113 CO 0.04 -1.91 0.45 1.33 -0.50 0.00 0.00 175.29 174.70 1pgu n VAL 114 N 6.01 1.61 -4.23 1.34 0.24 -0.87 -4.98 118.33 117.45 1pgu n VAL 114 Ca 0.15 -0.76 -0.19 0.00 -2.04 0.00 0.00 64.34 61.50 1pgu n VAL 114 Cb 0.48 -1.14 -0.11 0.00 -1.47 0.00 0.00 33.84 31.60 1pgu n VAL 114 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pgu s LEU 115 N -6.25 2.36 -0.04 1.34 1.43 -0.92 -4.96 118.68 111.64 1pgu s LEU 115 Ca -0.11 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 1pgu s LEU 115 Cb 0.07 -0.57 -0.21 0.00 0.03 0.00 0.00 46.19 45.51 1pgu s LEU 115 CO 0.80 -0.11 1.18 0.00 0.23 0.00 0.00 176.35 178.45 1pgu h ALA 116 N 3.76 0.01 -3.55 4.21 0.00 -1.86 -3.37 119.26 118.45 1pgu h ALA 116 Ca -0.41 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1pgu h ALA 116 Cb 1.19 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.01 1pgu h ALA 116 CO 0.47 -0.19 0.06 0.41 0.00 0.00 0.00 179.25 180.00 1pgu n GLY 117 N 0.49 -0.35 3.76 0.00 0.00 -1.19 -4.48 105.19 103.42 1pgu n GLY 117 Ca -0.09 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 1pgu n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgu s PRO 118 N -3.31 3.26 -0.00 1.61 0.04 -1.12 -2.69 135.00 132.78 1pgu s PRO 118 Ca 0.15 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1pgu s PRO 118 Cb -0.01 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1pgu s PRO 118 CO 0.10 -0.99 0.49 0.42 0.04 0.00 0.00 177.00 177.06 1pgu s ILE 119 N -1.52 4.95 -0.08 0.56 1.01 -0.89 -1.73 121.20 123.51 1pgu s ILE 119 Ca 0.72 1.03 0.09 0.00 0.00 0.00 0.00 60.65 62.49 1pgu s ILE 119 Cb -0.32 -3.82 -0.14 0.00 0.01 0.00 0.00 42.46 38.20 1pgu s ILE 119 CO 0.36 0.50 0.09 -1.54 0.00 0.00 0.00 174.94 174.35 1pgu n SER 120 N 2.27 2.52 -3.46 3.58 3.41 0.76 -4.77 113.62 117.94 1pgu n SER 120 Ca -0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 1pgu n SER 120 Cb 0.52 0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 65.37 1pgu n SER 120 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pgu s ASP 121 N -3.98 -0.60 0.00 4.04 3.68 -0.88 -4.84 116.67 114.10 1pgu s ASP 121 Ca -0.05 0.27 -0.02 0.00 2.13 0.00 0.00 52.55 54.88 1pgu s ASP 121 Cb 0.04 0.57 -0.01 0.00 -1.45 0.00 0.00 42.92 42.07 1pgu s ASP 121 CO 0.42 -0.82 0.02 -0.63 0.13 0.00 0.00 175.17 174.29 1pgu s ILE 122 N -2.77 0.06 -0.02 4.11 1.01 -1.26 -1.16 121.20 121.18 1pgu s ILE 122 Ca -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1pgu s ILE 122 Cb -0.01 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.27 1pgu s ILE 122 CO -0.04 -0.28 0.04 -0.55 0.00 0.00 0.00 174.94 174.11 1pgu s SER 123 N -0.84 -0.00 0.30 3.58 0.15 -0.64 -4.93 113.70 111.32 1pgu s SER 123 Ca -0.09 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1pgu s SER 123 Cb -0.06 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1pgu s SER 123 CO -0.00 -0.07 0.54 0.26 1.20 0.00 0.00 173.24 175.17 1pgu s TRP 124 N 0.51 3.49 0.64 3.44 0.52 -1.26 -1.05 118.94 125.22 1pgu s TRP 124 Ca -0.04 0.51 -0.05 0.00 0.02 0.00 0.00 56.10 56.53 1pgu s TRP 124 Cb -0.06 -2.00 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1pgu s TRP 124 CO -0.02 0.17 0.94 0.16 0.02 0.00 0.00 176.95 178.22 1pgu s ASP 125 N -3.49 5.12 0.55 2.95 -4.77 -0.70 -4.55 116.67 111.78 1pgu s ASP 125 Ca 0.42 0.45 0.37 0.00 -3.30 0.00 0.00 52.55 50.49 1pgu s ASP 125 Cb -0.10 -1.25 1.93 0.00 -1.09 0.00 0.00 42.92 42.41 1pgu s ASP 125 CO 0.32 -1.36 2.13 2.19 0.70 0.00 0.00 175.17 179.15 1pgu h PHE 126 N -0.35 0.00 -0.01 2.11 -5.15 -1.84 -1.21 116.94 110.49 1pgu h PHE 126 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1pgu h PHE 126 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1pgu h PHE 126 CO 0.38 0.00 -0.14 0.39 -2.00 0.00 0.00 178.31 176.94 1pgu n GLU 127 N -2.85 1.18 -2.79 6.09 1.02 -1.26 -4.64 120.64 117.37 1pgu n GLU 127 Ca -0.02 -0.67 -0.21 0.00 -0.02 0.00 0.00 57.16 56.24 1pgu n GLU 127 Cb 0.11 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1pgu n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pgu n GLY 128 N 1.26 -0.48 0.00 0.62 0.00 -0.46 -4.85 105.19 101.28 1pgu n GLY 128 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pgu n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgu n ARG 129 N -3.62 3.36 -4.20 1.61 1.74 -1.26 -4.95 116.66 109.34 1pgu n ARG 129 Ca -0.16 -0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.68 1pgu n ARG 129 Cb 0.64 -0.40 -0.12 0.00 -1.02 0.00 0.00 32.46 31.56 1pgu n ARG 129 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pgu s ARG 130 N -0.50 0.90 -0.03 5.56 0.52 -1.26 -1.60 118.95 122.54 1pgu s ARG 130 Ca 0.00 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1pgu s ARG 130 Cb 0.00 -0.86 0.01 0.00 0.52 0.00 0.00 34.95 34.62 1pgu s ARG 130 CO 0.00 0.18 -0.06 -0.51 0.02 0.00 0.00 175.30 174.94 1pgu s LEU 131 N -2.00 1.63 -0.36 2.53 1.43 0.32 -1.73 118.68 120.49 1pgu s LEU 131 Ca 0.02 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1pgu s LEU 131 Cb -0.08 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1pgu s LEU 131 CO 0.02 0.01 0.23 0.00 0.23 0.00 0.00 176.35 176.84 1pgu s VAL 133 N 1.64 3.93 0.07 0.00 1.01 -0.11 -1.62 120.40 125.32 1pgu s VAL 133 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1pgu s VAL 133 Cb -0.18 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1pgu s VAL 133 CO 0.08 0.49 -0.07 0.54 0.00 0.00 0.00 175.10 176.15 1pgu s VAL 134 N 0.35 0.59 0.00 2.92 0.11 -0.31 -0.32 120.40 123.74 1pgu s VAL 134 Ca -0.04 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1pgu s VAL 134 Cb -0.14 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1pgu s VAL 134 CO 0.03 -0.64 0.00 0.61 -3.33 0.00 0.00 175.10 171.76 1pgu n GLY 135 N 0.70 -0.79 2.63 6.54 0.00 0.12 -0.17 105.19 114.22 1pgu n GLY 135 Ca -0.17 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1pgu n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pgu s GLU 136 N -0.42 0.71 0.35 1.61 2.12 -0.71 -1.67 118.70 120.69 1pgu s GLU 136 Ca 0.00 -1.25 0.08 0.00 0.36 0.00 0.00 54.97 54.16 1pgu s GLU 136 Cb 0.00 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 1pgu s GLU 136 CO 0.00 -1.09 0.27 0.20 -0.54 0.00 0.00 175.26 174.10 1pgu s GLY 137 N 1.28 1.86 0.04 -1.50 0.00 -0.30 -3.19 107.32 105.51 1pgu s GLY 137 Ca 0.13 -1.72 -0.27 0.00 0.00 0.00 0.00 44.72 42.86 1pgu s GLY 137 CO -0.15 -1.63 1.45 -0.09 0.00 0.00 0.00 173.10 172.67 1pgu h ARG 138 N 1.29 -0.49 0.11 2.90 1.12 -1.95 -3.36 114.38 114.00 1pgu h ARG 138 Ca -0.44 0.03 -0.37 0.00 -1.11 0.00 0.00 59.98 58.10 1pgu h ARG 138 Cb 1.25 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 31.30 1pgu h ARG 138 CO 0.59 -0.23 -2.03 -0.25 -3.11 0.00 0.00 179.97 174.94 1pgu n ASP 139 N -5.24 2.11 -4.25 -3.80 8.00 -1.26 -5.00 116.55 107.11 1pgu n ASP 139 Ca -0.10 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1pgu n ASP 139 Cb 0.26 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 1pgu n ASP 139 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1pgu s ASN 140 N -6.99 1.74 0.00 -2.24 0.02 -1.26 -5.04 114.94 101.17 1pgu s ASN 140 Ca -0.24 -1.04 0.13 0.00 -1.02 0.00 0.00 52.86 50.69 1pgu s ASN 140 Cb 0.07 0.00 0.22 0.00 0.02 0.00 0.00 41.25 41.56 1pgu s ASN 140 CO 0.75 -0.37 1.08 0.49 0.02 0.00 0.00 177.10 179.08 1pgu n PHE 141 N -0.21 0.24 0.00 2.20 3.01 -1.26 -1.14 117.46 120.29 1pgu n PHE 141 Ca -0.10 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1pgu n PHE 141 Cb 0.61 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1pgu n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pgu n GLY 142 N 0.70 0.71 3.53 1.37 0.00 -1.26 -0.70 105.19 109.54 1pgu n GLY 142 Ca 0.10 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1pgu n GLY 142 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pgu s VAL 143 N -2.00 0.02 -0.16 1.61 -7.23 0.57 -4.29 120.40 108.93 1pgu s VAL 143 Ca 0.00 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1pgu s VAL 143 Cb 0.00 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 35.06 1pgu s VAL 143 CO 0.00 -0.10 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.21 1pgu s PHE 144 N -3.95 2.09 0.18 2.82 0.40 -1.26 -0.94 117.98 117.32 1pgu s PHE 144 Ca 0.16 -1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1pgu s PHE 144 Cb -0.00 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1pgu s PHE 144 CO 0.03 -0.66 0.11 0.96 0.70 0.00 0.00 175.22 176.36 1pgu s ILE 145 N 1.51 0.03 0.17 0.64 -4.36 -0.29 0.69 121.20 119.59 1pgu s ILE 145 Ca 0.03 -1.97 -0.26 0.00 -0.26 0.00 0.00 60.65 58.19 1pgu s ILE 145 Cb -0.14 -2.36 -0.08 0.00 1.25 0.00 0.00 42.46 41.14 1pgu s ILE 145 CO -0.10 -0.14 0.81 -0.44 0.24 0.00 0.00 174.94 175.31 1pgu s SER 146 N -3.12 7.42 0.58 4.36 0.01 -0.70 -0.52 113.70 121.73 1pgu s SER 146 Ca 0.34 1.68 0.36 0.00 1.31 0.00 0.00 55.95 59.65 1pgu s SER 146 Cb 0.07 -2.52 1.74 0.00 0.21 0.00 0.00 66.02 65.53 1pgu s SER 146 CO 0.09 0.18 2.13 4.11 0.41 0.00 0.00 173.24 180.16 1pgu h TRP 147 N 4.44 0.00 0.00 2.43 5.08 -1.63 -2.03 115.95 124.24 1pgu h TRP 147 Ca -0.46 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.20 1pgu h TRP 147 Cb 1.21 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.31 1pgu h TRP 147 CO 0.64 0.03 -2.16 -0.40 -1.28 0.00 0.00 178.44 175.26 1pgu n ASP 148 N -3.19 2.36 -0.05 0.11 5.75 -1.26 -4.73 116.55 115.53 1pgu n ASP 148 Ca -0.01 -0.09 -0.02 0.00 -0.01 0.00 0.00 54.79 54.67 1pgu n ASP 148 Cb 0.22 -0.34 -0.15 0.00 -1.03 0.00 0.00 41.12 39.81 1pgu n ASP 148 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1pgu n SER 149 N -3.15 0.12 0.00 -1.12 3.41 -1.25 -4.94 113.62 106.68 1pgu n SER 149 Ca -0.37 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1pgu n SER 149 Cb 0.88 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.04 1pgu n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgu n GLY 150 N 1.54 0.88 3.76 5.00 0.00 -0.76 -4.97 105.19 110.63 1pgu n GLY 150 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1pgu n GLY 150 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pgu s ASN 151 N -2.89 5.71 0.30 1.61 0.01 -1.26 -4.52 114.94 113.91 1pgu s ASN 151 Ca 0.00 2.61 -0.29 0.00 -0.71 0.00 0.00 52.86 54.47 1pgu s ASN 151 Cb 0.00 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 1pgu s ASN 151 CO 0.00 -1.26 1.36 -0.55 -1.51 0.00 0.00 177.10 175.14 1pgu s SER 152 N -1.03 6.71 -0.14 -1.22 0.15 -1.26 -1.72 113.70 115.18 1pgu s SER 152 Ca 0.67 2.70 0.17 0.00 0.70 0.00 0.00 55.95 60.18 1pgu s SER 152 Cb -0.37 -2.64 0.31 0.00 -1.71 0.00 0.00 66.02 61.62 1pgu s SER 152 CO 0.44 -0.61 1.16 0.18 1.20 0.00 0.00 173.24 175.61 1pgu n LEU 153 N 1.32 2.37 0.00 3.45 4.77 0.22 -4.90 117.00 124.22 1pgu n LEU 153 Ca 0.02 -3.22 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 1pgu n LEU 153 Cb 0.41 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1pgu n LEU 153 CO 0.60 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 1pgu n GLY 154 N -1.32 -0.20 2.81 -0.72 0.00 -1.25 -1.10 105.19 103.41 1pgu n GLY 154 Ca 0.16 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1pgu n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pgu s GLU 155 N -2.00 0.04 -0.08 1.61 0.41 -0.29 -4.40 118.70 113.99 1pgu s GLU 155 Ca 0.00 0.11 -0.24 0.00 -0.41 0.00 0.00 54.97 54.43 1pgu s GLU 155 Cb 0.00 -0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.08 1pgu s GLU 155 CO 0.00 -0.11 0.73 0.08 -0.49 0.00 0.00 175.26 175.47 1pgu s VAL 156 N 0.77 5.01 0.29 2.63 1.01 -1.26 -4.40 120.40 124.44 1pgu s VAL 156 Ca -0.07 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1pgu s VAL 156 Cb -0.10 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1pgu s VAL 156 CO -0.02 0.21 0.52 -0.44 0.00 0.00 0.00 175.10 175.37 1pgu s SER 157 N 0.88 0.18 0.00 3.32 0.01 -1.26 -4.87 113.70 111.96 1pgu s SER 157 Ca 0.38 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1pgu s SER 157 Cb -0.18 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1pgu s SER 157 CO 0.18 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1pgu n GLY 158 N -0.45 0.79 3.39 3.44 0.00 -1.26 -4.94 105.19 106.16 1pgu n GLY 158 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1pgu n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pgu s HIS 159 N -3.12 2.71 -0.65 1.61 3.76 -1.26 -4.96 115.29 113.38 1pgu s HIS 159 Ca 0.00 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.48 1pgu s HIS 159 Cb 0.00 -1.73 0.06 0.00 1.11 0.00 0.00 32.58 32.02 1pgu s HIS 159 CO 0.00 -0.07 0.75 -1.13 -0.85 0.00 0.00 174.74 173.44 1pgu n SER 160 N 2.99 1.62 -4.19 1.40 3.41 -1.26 -4.94 113.62 112.65 1pgu n SER 160 Ca -0.18 -1.36 -0.11 0.00 -0.26 0.00 0.00 58.87 56.96 1pgu n SER 160 Cb 0.52 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1pgu n SER 160 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1pgu s GLN 161 N -0.55 0.98 0.14 4.33 2.00 -1.26 -5.12 119.66 120.18 1pgu s GLN 161 Ca 0.07 -1.46 -0.33 0.00 -2.00 0.00 0.00 55.36 51.65 1pgu s GLN 161 Cb 0.05 -0.02 -0.18 0.00 0.80 0.00 0.00 33.01 33.67 1pgu s GLN 161 CO 0.07 -0.18 0.85 -2.13 -0.50 0.00 0.00 175.29 173.40 1pgu n ARG 162 N -0.14 0.30 -3.71 1.67 0.63 -1.26 -4.64 116.66 109.51 1pgu n ARG 162 Ca -0.07 0.11 -0.35 0.00 -0.92 0.00 0.00 57.85 56.62 1pgu n ARG 162 Cb 0.63 -1.38 -0.08 0.00 0.45 0.00 0.00 32.46 32.08 1pgu n ARG 162 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pgu s ILE 163 N -0.52 5.40 -0.22 5.15 1.01 -0.67 -1.19 121.20 130.15 1pgu s ILE 163 Ca 0.74 0.23 0.22 0.00 0.00 0.00 0.00 60.65 61.84 1pgu s ILE 163 Cb -1.01 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 37.88 1pgu s ILE 163 CO 0.56 0.43 0.90 0.59 0.00 0.00 0.00 174.94 177.43 1pgu n ASN 164 N 3.53 0.61 -3.58 3.58 3.02 0.24 -3.67 115.26 118.99 1pgu n ASN 164 Ca -0.16 0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.54 1pgu n ASN 164 Cb 0.52 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 40.53 1pgu n ASN 164 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgu s ALA 165 N -3.39 -2.04 0.29 5.41 0.00 -0.79 -4.36 121.76 116.89 1pgu s ALA 165 Ca -0.02 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1pgu s ALA 165 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1pgu s ALA 165 CO 0.82 -0.60 0.38 0.00 0.00 0.00 0.00 175.76 176.36 1pgu s HIS 167 N -3.59 -0.62 -0.17 0.00 2.46 -1.26 -4.71 115.29 107.41 1pgu s HIS 167 Ca 0.31 1.34 -0.06 0.00 0.47 0.00 0.00 55.06 57.13 1pgu s HIS 167 Cb 0.01 0.36 -0.04 0.00 -0.13 0.00 0.00 32.58 32.78 1pgu s HIS 167 CO 0.16 -0.40 0.03 -0.51 -2.47 0.00 0.00 174.74 171.56 1pgu s LEU 168 N -0.29 3.65 0.15 8.88 1.43 -1.26 -4.43 118.68 126.81 1pgu s LEU 168 Ca -0.02 0.03 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 1pgu s LEU 168 Cb -0.03 -1.90 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 1pgu s LEU 168 CO 0.02 0.19 1.60 1.17 0.23 0.00 0.00 176.35 179.56 1pgu n LYS 169 N 3.40 2.17 -0.60 1.70 4.81 -0.19 -4.81 118.16 124.63 1pgu n LYS 169 Ca -0.17 0.78 -0.06 0.00 -0.87 0.00 0.00 58.31 57.99 1pgu n LYS 169 Cb 0.52 -2.56 0.02 0.00 0.02 0.00 0.00 35.03 33.03 1pgu n LYS 169 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pgu n GLN 170 N 3.61 1.29 -3.60 1.64 1.13 -1.26 -4.56 117.38 115.63 1pgu n GLN 170 Ca 0.17 -0.57 -0.07 0.00 -1.94 0.00 0.00 57.00 54.59 1pgu n GLN 170 Cb 0.29 -1.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 1pgu n GLN 170 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pgu s SER 171 N 1.25 -0.30 0.23 1.08 1.04 -1.26 -4.72 113.70 111.02 1pgu s SER 171 Ca 0.11 -0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 1pgu s SER 171 Cb 0.09 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.56 1pgu s SER 171 CO 0.00 -0.74 0.71 -0.60 0.98 0.00 0.00 173.24 173.59 1pgu s ARG 172 N -3.20 4.19 0.00 4.02 6.06 -1.26 -4.56 118.95 124.20 1pgu s ARG 172 Ca 0.08 0.80 0.00 0.00 -2.50 0.00 0.00 55.73 54.11 1pgu s ARG 172 Cb -0.01 -2.84 0.00 0.00 0.06 0.00 0.00 34.95 32.16 1pgu s ARG 172 CO -0.05 0.38 0.00 -2.30 -2.50 0.00 0.00 175.30 170.83 1pgu n PRO 173 N 0.61 2.67 0.00 5.12 -0.02 -1.26 -5.10 135.00 137.02 1pgu n PRO 173 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1pgu n PRO 173 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1pgu n PRO 173 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pgu n ARG 175 N 0.00 0.00 -0.32 -0.52 5.12 -1.26 -4.98 116.66 114.69 1pgu n ARG 175 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1pgu n ARG 175 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1pgu n ARG 175 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pgu n SER 176 N 0.00 0.00 -3.64 0.55 2.88 -0.92 -1.02 113.62 111.47 1pgu n SER 176 Ca 0.00 -0.23 -0.08 0.00 -1.33 0.00 0.00 58.87 57.23 1pgu n SER 176 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1pgu n SER 176 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pgu s THR 178 N -2.25 0.00 0.01 2.46 -4.23 -0.23 -0.11 115.64 111.29 1pgu s THR 178 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1pgu s THR 178 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 1pgu s THR 178 CO 0.00 0.00 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.26 1pgu s VAL 179 N 0.45 0.99 0.00 2.29 1.01 0.93 -1.22 120.40 124.85 1pgu s VAL 179 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1pgu s VAL 179 Cb -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1pgu s VAL 179 CO -0.08 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1pgu n GLY 180 N 2.35 3.34 3.62 4.51 0.00 -0.81 0.82 105.19 119.01 1pgu n GLY 180 Ca -0.16 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1pgu n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgu s ASP 181 N 1.75 1.86 -1.47 1.61 1.01 -0.34 -2.12 116.67 118.98 1pgu s ASP 181 Ca 0.00 1.07 -0.06 0.00 0.71 0.00 0.00 52.55 54.27 1pgu s ASP 181 Cb 0.00 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.31 1pgu s ASP 181 CO 0.00 -3.59 0.52 -0.67 0.21 0.00 0.00 175.17 171.64 1pgu n ASP 182 N -4.46 -5.34 -4.22 0.27 4.64 -0.45 -2.47 116.55 104.51 1pgu n ASP 182 Ca 0.07 -0.28 -0.34 0.00 -1.38 0.00 0.00 54.79 52.85 1pgu n ASP 182 Cb 0.58 -4.35 -0.04 0.00 -1.04 0.00 0.00 41.12 36.26 1pgu n ASP 182 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1pgu n GLY 183 N -1.37 -0.33 3.78 0.27 0.00 0.14 -4.16 105.19 103.51 1pgu n GLY 183 Ca -0.09 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1pgu n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgu s SER 184 N -3.72 6.02 -0.05 1.61 1.04 -1.03 -4.49 113.70 113.09 1pgu s SER 184 Ca 0.46 0.30 0.02 0.00 0.48 0.00 0.00 55.95 57.22 1pgu s SER 184 Cb -0.26 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 63.93 1pgu s SER 184 CO 0.94 0.32 -0.09 -0.69 0.98 0.00 0.00 173.24 174.70 1pgu s VAL 185 N -0.52 0.87 -0.05 5.02 1.01 -0.93 -1.93 120.40 123.87 1pgu s VAL 185 Ca 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1pgu s VAL 185 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1pgu s VAL 185 CO 0.02 0.29 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 1pgu s VAL 186 N 0.54 1.20 -0.11 2.92 1.01 -0.35 -0.99 120.40 124.62 1pgu s VAL 186 Ca -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1pgu s VAL 186 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1pgu s VAL 186 CO 0.02 0.36 0.01 0.12 0.00 0.00 0.00 175.10 175.60 1pgu s PHE 187 N 0.39 3.16 0.28 5.22 5.36 -0.54 -1.06 117.98 130.79 1pgu s PHE 187 Ca -0.10 0.12 0.06 0.00 -0.96 0.00 0.00 56.93 56.05 1pgu s PHE 187 Cb -0.13 -1.85 -0.06 0.00 -0.34 0.00 0.00 43.02 40.64 1pgu s PHE 187 CO 0.03 0.37 -0.03 0.71 -1.46 0.00 0.00 175.22 174.83 1pgu s TYR 188 N -0.57 1.91 0.09 10.12 1.51 0.84 -1.34 117.35 129.91 1pgu s TYR 188 Ca 0.10 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1pgu s TYR 188 Cb -0.12 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1pgu s TYR 188 CO 0.02 0.20 -0.11 -0.65 -1.11 0.00 0.00 175.55 173.90 1pgu s GLN 189 N -3.77 0.82 0.00 -0.62 -0.21 -0.83 -2.16 119.66 112.89 1pgu s GLN 189 Ca 0.30 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1pgu s GLN 189 Cb 0.05 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.46 1pgu s GLN 189 CO 0.12 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 1pgu n GLY 190 N 0.80 -0.20 3.83 3.09 0.00 -1.26 -0.51 105.19 110.94 1pgu n GLY 190 Ca -0.18 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1pgu n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgu s PRO 191 N -2.00 3.33 0.06 1.61 0.04 -1.26 -4.53 135.00 132.25 1pgu s PRO 191 Ca 0.00 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 1pgu s PRO 191 Cb 0.00 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1pgu s PRO 191 CO 0.00 -0.79 1.40 -2.14 0.04 0.00 0.00 177.00 175.52 1pgu s PRO 192 N -4.60 4.30 -0.09 0.56 0.02 -1.26 -5.07 135.00 128.87 1pgu s PRO 192 Ca 0.59 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 63.35 1pgu s PRO 192 Cb -0.13 -3.42 -0.06 0.00 0.02 0.00 0.00 34.50 30.90 1pgu s PRO 192 CO 0.45 -0.51 1.92 -0.06 -0.33 0.00 0.00 177.00 178.48 1pgu s PHE 193 N 1.76 1.50 0.06 6.54 0.40 -0.26 -4.85 117.98 123.13 1pgu s PHE 193 Ca 0.65 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.08 1pgu s PHE 193 Cb -0.34 -4.07 -0.03 0.00 0.51 0.00 0.00 43.02 39.09 1pgu s PHE 193 CO 0.29 -4.47 -0.11 0.21 0.70 0.00 0.00 175.22 171.83 1pgu s LYS 194 N 4.93 0.70 0.16 0.44 2.47 0.33 -1.13 119.74 127.63 1pgu s LYS 194 Ca 0.86 -0.86 -0.33 0.00 -1.56 0.00 0.00 55.97 54.08 1pgu s LYS 194 Cb -0.36 -0.61 -0.16 0.00 -1.46 0.00 0.00 37.83 35.25 1pgu s LYS 194 CO 0.36 0.13 1.13 0.34 0.16 0.00 0.00 175.35 177.47 1pgu n PHE 195 N 1.40 1.17 -0.01 4.03 7.35 -1.26 -1.97 117.46 128.17 1pgu n PHE 195 Ca -0.22 0.72 -0.03 0.00 -0.76 0.00 0.00 57.45 57.16 1pgu n PHE 195 Cb 0.54 -2.25 -0.01 0.00 0.35 0.00 0.00 39.48 38.11 1pgu n PHE 195 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pgu n SER 196 N 1.99 0.31 -3.52 -2.13 2.88 -0.45 -4.80 113.62 107.91 1pgu n SER 196 Ca 0.16 0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.59 1pgu n SER 196 Cb 0.23 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 1pgu n SER 196 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pgu s ALA 197 N -2.06 -1.57 0.26 -1.46 0.00 -1.07 -5.03 121.76 110.83 1pgu s ALA 197 Ca -0.04 0.87 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1pgu s ALA 197 Cb 0.01 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1pgu s ALA 197 CO 0.05 -0.51 -0.08 0.45 0.00 0.00 0.00 175.76 175.67 1pgu s SER 198 N -1.83 4.19 -0.28 0.00 0.15 -1.26 -1.47 113.70 113.21 1pgu s SER 198 Ca -0.06 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1pgu s SER 198 Cb -0.01 -0.65 0.15 0.00 -1.71 0.00 0.00 66.02 63.80 1pgu s SER 198 CO 0.00 0.02 0.38 -0.62 1.20 0.00 0.00 173.24 174.22 1pgu s ASP 199 N -3.55 0.61 -0.30 5.45 -1.08 -0.16 -4.98 116.67 112.67 1pgu s ASP 199 Ca 0.30 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.11 1pgu s ASP 199 Cb -0.06 0.98 0.46 0.00 -1.46 0.00 0.00 42.92 42.84 1pgu s ASP 199 CO 0.18 -0.35 1.18 0.54 0.52 0.00 0.00 175.17 177.24 1pgu n ARG 200 N 5.35 3.45 0.00 4.34 1.74 -1.26 -2.18 116.66 128.09 1pgu n ARG 200 Ca -0.01 -4.13 0.00 0.00 -0.77 0.00 0.00 57.85 52.94 1pgu n ARG 200 Cb 0.49 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1pgu n ARG 200 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1pgu n THR 201 N -0.69 0.00 0.50 0.55 5.66 -1.26 -4.80 114.28 114.24 1pgu n THR 201 Ca 0.41 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.53 1pgu n THR 201 Cb 0.94 -0.62 0.26 0.00 -1.55 0.00 0.00 70.33 69.37 1pgu n THR 201 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1pgu h HIS 202 N 0.00 0.00 -4.05 1.09 3.86 -1.90 -3.44 115.15 110.72 1pgu h HIS 202 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 1pgu h HIS 202 Cb 0.84 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.06 1pgu h HIS 202 CO 0.00 0.00 -0.79 -1.01 0.86 0.00 0.00 177.93 176.99 1pgu s HIS 203 N -3.16 2.66 0.52 2.45 4.02 -1.26 -5.00 115.29 115.51 1pgu s HIS 203 Ca 0.08 -0.25 -0.22 0.00 1.02 0.00 0.00 55.06 55.69 1pgu s HIS 203 Cb 0.11 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.58 29.98 1pgu s HIS 203 CO 0.66 0.12 1.24 1.17 1.02 0.00 0.00 174.74 178.95 1pgu n LYS 204 N 2.44 1.58 -1.93 1.40 4.81 -1.26 -4.77 118.16 120.43 1pgu n LYS 204 Ca -0.17 0.58 -0.41 0.00 -0.87 0.00 0.00 58.31 57.44 1pgu n LYS 204 Cb 0.52 -2.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.14 1pgu n LYS 204 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1pgu s GLN 205 N -2.64 4.21 0.00 1.64 -2.07 -1.26 -2.10 119.66 117.45 1pgu s GLN 205 Ca 0.69 2.42 0.00 0.00 -1.82 0.00 0.00 55.36 56.65 1pgu s GLN 205 Cb -0.45 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 28.44 1pgu s GLN 205 CO 0.51 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 1pgu n GLY 206 N 1.19 2.74 3.88 2.60 0.00 -1.26 -4.88 105.19 109.46 1pgu n GLY 206 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1pgu n GLY 206 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgu s SER 207 N -3.86 5.80 -0.38 1.61 1.04 -0.89 -4.42 113.70 112.60 1pgu s SER 207 Ca 0.00 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 1pgu s SER 207 Cb 0.00 -2.12 0.03 0.00 0.10 0.00 0.00 66.02 64.03 1pgu s SER 207 CO 0.00 -1.09 0.21 -0.36 0.98 0.00 0.00 173.24 172.98 1pgu s PHE 208 N -3.21 3.25 -0.44 5.02 0.40 -1.26 0.28 117.98 122.02 1pgu s PHE 208 Ca 0.56 -1.01 -0.28 0.00 -0.60 0.00 0.00 56.93 55.59 1pgu s PHE 208 Cb -0.11 -2.46 0.03 0.00 0.51 0.00 0.00 43.02 40.99 1pgu s PHE 208 CO 0.51 -0.66 1.09 0.08 0.70 0.00 0.00 175.22 176.94 1pgu s VAL 209 N 1.54 4.32 -0.15 -0.44 1.01 -0.90 -0.44 120.40 125.34 1pgu s VAL 209 Ca 0.02 1.28 0.18 0.00 0.00 0.00 0.00 61.98 63.46 1pgu s VAL 209 Cb -0.19 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.54 1pgu s VAL 209 CO 0.06 -0.86 0.86 0.54 0.00 0.00 0.00 175.10 175.70 1pgu n ARG 210 N 7.52 0.62 -3.69 2.72 1.74 0.13 -3.72 116.66 121.97 1pgu n ARG 210 Ca 0.11 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.29 1pgu n ARG 210 Cb 0.48 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1pgu n ARG 210 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pgu s ASP 211 N -5.67 -0.15 -0.13 0.55 2.15 -0.93 -4.57 116.67 107.91 1pgu s ASP 211 Ca -0.03 -0.37 -0.21 0.00 0.43 0.00 0.00 52.55 52.37 1pgu s ASP 211 Cb 0.09 0.44 0.05 0.00 -0.30 0.00 0.00 42.92 43.20 1pgu s ASP 211 CO 0.81 -0.81 0.54 0.54 -0.17 0.00 0.00 175.17 176.07 1pgu s VAL 212 N -3.72 0.01 -0.28 1.11 0.11 -1.26 -1.50 120.40 114.87 1pgu s VAL 212 Ca 0.03 -0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 58.79 1pgu s VAL 212 Cb 0.02 -0.79 0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1pgu s VAL 212 CO -0.11 -0.05 0.77 -0.70 -3.33 0.00 0.00 175.10 171.68 1pgu s GLU 213 N -0.39 0.67 0.46 1.54 2.12 -0.53 -4.64 118.70 117.93 1pgu s GLU 213 Ca -0.05 1.03 -0.20 0.00 0.36 0.00 0.00 54.97 56.10 1pgu s GLU 213 Cb -0.03 0.20 -0.10 0.00 0.26 0.00 0.00 34.13 34.47 1pgu s GLU 213 CO 0.04 -0.12 0.99 -0.06 -0.54 0.00 0.00 175.26 175.57 1pgu s PHE 214 N 1.16 3.16 0.61 5.30 0.40 -1.26 -1.90 117.98 125.44 1pgu s PHE 214 Ca -0.06 1.59 -0.17 0.00 -0.60 0.00 0.00 56.93 57.69 1pgu s PHE 214 Cb -0.05 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1pgu s PHE 214 CO -0.13 -0.47 1.11 -1.54 0.70 0.00 0.00 175.22 174.90 1pgu s SER 215 N -2.11 5.39 1.22 1.36 1.04 -0.55 -4.88 113.70 115.17 1pgu s SER 215 Ca 0.64 2.05 -0.18 0.00 0.48 0.00 0.00 55.95 58.94 1pgu s SER 215 Cb -0.13 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.72 1pgu s SER 215 CO 0.17 -1.44 1.06 -2.84 0.98 0.00 0.00 173.24 171.17 1pgu s PRO 216 N -3.78 -1.35 6.56 4.02 0.02 -1.26 -3.14 135.00 136.07 1pgu s PRO 216 Ca 0.69 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1pgu s PRO 216 Cb -0.21 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1pgu s PRO 216 CO 0.35 -3.84 0.00 -0.25 -0.33 0.00 0.00 177.00 172.94 1pgu n ASP 217 N -4.89 0.00 0.14 2.53 8.00 -1.26 -2.43 116.55 118.64 1pgu n ASP 217 Ca 0.11 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.74 1pgu n ASP 217 Cb 0.59 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.14 1pgu n ASP 217 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1pgu h SER 218 N 0.00 0.00 -5.63 -2.24 4.64 -1.94 -3.42 113.55 104.97 1pgu h SER 218 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1pgu h SER 218 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 1pgu h SER 218 CO 0.00 0.00 -0.65 0.61 -0.87 0.00 0.00 176.83 175.92 1pgu n GLY 219 N 0.60 -0.47 0.30 -0.77 0.00 -1.02 -4.88 105.19 98.95 1pgu n GLY 219 Ca 0.03 0.21 0.17 0.00 0.00 0.00 0.00 46.02 46.44 1pgu n GLY 219 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pgu h GLU 220 N -2.56 0.00 -5.59 1.61 4.11 -1.82 -3.36 114.58 106.96 1pgu h GLU 220 Ca -0.55 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.34 1pgu h GLU 220 Cb 1.35 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.47 1pgu h GLU 220 CO 0.53 0.02 -0.65 -0.06 0.07 0.00 0.00 179.01 178.93 1pgu s PHE 221 N -4.37 2.17 -0.09 2.06 0.08 -1.26 0.61 117.98 117.17 1pgu s PHE 221 Ca -0.04 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.27 1pgu s PHE 221 Cb 0.14 -1.33 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1pgu s PHE 221 CO 0.51 0.34 0.22 0.08 -0.10 0.00 0.00 175.22 176.27 1pgu s VAL 222 N -2.91 -0.04 -0.01 -0.44 1.01 -0.41 -1.48 120.40 116.12 1pgu s VAL 222 Ca 0.32 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1pgu s VAL 222 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1pgu s VAL 222 CO 0.15 0.05 -0.17 -0.63 0.00 0.00 0.00 175.10 174.50 1pgu s ILE 223 N 1.06 1.36 0.05 2.22 1.01 -0.80 -0.20 121.20 125.89 1pgu s ILE 223 Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1pgu s ILE 223 Cb -0.09 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1pgu s ILE 223 CO -0.07 0.37 -0.22 0.42 0.00 0.00 0.00 174.94 175.45 1pgu s THR 224 N -0.42 1.76 0.03 2.92 -4.23 -0.54 -1.45 115.64 113.72 1pgu s THR 224 Ca 0.07 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1pgu s THR 224 Cb -0.07 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 1pgu s THR 224 CO -0.01 0.22 -0.05 0.68 -0.54 0.00 0.00 174.62 174.93 1pgu s VAL 225 N -0.82 0.28 0.25 2.29 -7.23 -0.56 -1.55 120.40 113.06 1pgu s VAL 225 Ca 0.08 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 1pgu s VAL 225 Cb -0.09 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.36 1pgu s VAL 225 CO 0.02 -0.51 0.48 0.61 -0.31 0.00 0.00 175.10 175.38 1pgu n GLY 226 N 1.38 1.51 0.30 2.32 0.00 -1.24 -0.69 105.19 108.77 1pgu n GLY 226 Ca -0.22 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 44.77 1pgu n GLY 226 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pgu h SER 227 N 1.26 0.00 0.00 1.61 4.64 -0.87 -0.95 113.55 119.24 1pgu h SER 227 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1pgu h SER 227 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1pgu h SER 227 CO 0.27 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.33 1pgu n ASP 228 N -2.87 0.00 -0.01 4.97 5.75 -1.26 -4.35 116.55 118.78 1pgu n ASP 228 Ca -0.03 -1.08 -0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1pgu n ASP 228 Cb 0.09 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1pgu n ASP 228 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pgu n ARG 229 N -0.92 -1.03 -3.50 0.11 1.74 -0.39 -4.99 116.66 107.67 1pgu n ARG 229 Ca 0.19 0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 57.19 1pgu n ARG 229 Cb 0.09 -4.04 -0.05 0.00 -1.02 0.00 0.00 32.46 27.43 1pgu n ARG 229 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pgu s LYS 230 N -1.05 3.82 -0.34 5.56 -0.14 -1.26 -4.86 119.74 121.47 1pgu s LYS 230 Ca 0.00 0.27 0.01 0.00 -1.36 0.00 0.00 55.97 54.89 1pgu s LYS 230 Cb 0.00 -2.94 0.09 0.00 -1.68 0.00 0.00 37.83 33.30 1pgu s LYS 230 CO 0.00 0.51 0.06 0.42 -0.76 0.00 0.00 175.35 175.58 1pgu s ILE 231 N -1.47 2.64 -0.20 2.17 1.01 -1.26 -3.68 121.20 120.41 1pgu s ILE 231 Ca 0.36 -2.03 -0.14 0.00 0.00 0.00 0.00 60.65 58.84 1pgu s ILE 231 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1pgu s ILE 231 CO 0.19 -0.47 0.32 -0.44 0.00 0.00 0.00 174.94 174.54 1pgu s SER 232 N 1.23 6.37 -0.24 3.58 0.01 -0.60 0.04 113.70 124.09 1pgu s SER 232 Ca 0.05 0.43 -0.07 0.00 1.31 0.00 0.00 55.95 57.67 1pgu s SER 232 Cb -0.20 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1pgu s SER 232 CO -0.06 -0.00 0.05 0.00 0.41 0.00 0.00 173.24 173.65 1pgu s PHE 234 N 1.49 2.51 -0.06 0.00 0.40 0.72 -0.57 117.98 122.47 1pgu s PHE 234 Ca 0.06 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.82 1pgu s PHE 234 Cb -0.15 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1pgu s PHE 234 CO 0.03 0.58 1.35 0.34 0.70 0.00 0.00 175.22 178.22 1pgu s ASP 235 N -3.16 6.90 0.65 1.36 2.15 0.04 -1.29 116.67 123.31 1pgu s ASP 235 Ca 0.27 1.95 0.34 0.00 0.43 0.00 0.00 52.55 55.54 1pgu s ASP 235 Cb -0.07 -2.55 1.86 0.00 -0.30 0.00 0.00 42.92 41.86 1pgu s ASP 235 CO 0.15 -0.73 2.08 1.23 -0.17 0.00 0.00 175.17 177.74 1pgu h GLY 236 N 8.92 0.00 0.00 2.66 0.00 0.02 0.19 103.07 114.86 1pgu h GLY 236 Ca -0.34 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.63 1pgu h GLY 236 CO 0.92 0.00 -2.34 1.17 0.00 0.00 0.00 176.54 176.29 1pgu n LYS 237 N -3.14 0.58 0.01 4.80 4.81 -1.26 -4.68 118.16 119.27 1pgu n LYS 237 Ca -0.01 0.14 0.05 0.00 -0.87 0.00 0.00 58.31 57.62 1pgu n LYS 237 Cb 0.30 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 33.77 1pgu n LYS 237 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pgu n SER 238 N -3.25 0.37 0.00 3.14 3.41 -1.20 -4.97 113.62 111.13 1pgu n SER 238 Ca -0.42 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1pgu n SER 238 Cb 0.93 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.97 1pgu n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgu n GLY 239 N 1.36 1.07 3.73 5.00 0.00 0.05 -4.99 105.19 111.42 1pgu n GLY 239 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1pgu n GLY 239 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pgu s GLU 240 N -0.26 4.33 0.11 1.61 2.12 -1.26 -4.61 118.70 120.73 1pgu s GLU 240 Ca 0.00 2.15 -0.31 0.00 0.36 0.00 0.00 54.97 57.17 1pgu s GLU 240 Cb 0.00 -3.18 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 1pgu s GLU 240 CO 0.00 -0.36 1.50 0.12 -0.54 0.00 0.00 175.26 175.99 1pgu s PHE 241 N 0.32 2.97 -0.26 5.30 2.19 -1.26 -0.78 117.98 126.45 1pgu s PHE 241 Ca 0.60 0.70 -0.08 0.00 0.33 0.00 0.00 56.93 58.48 1pgu s PHE 241 Cb -0.39 -3.82 -0.15 0.00 -1.31 0.00 0.00 43.02 37.36 1pgu s PHE 241 CO 0.38 -3.04 -0.25 1.28 1.83 0.00 0.00 175.22 175.42 1pgu n LEU 242 N 4.45 2.36 0.00 6.12 4.32 0.27 -4.91 117.00 129.62 1pgu n LEU 242 Ca 0.13 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1pgu n LEU 242 Cb 0.41 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1pgu n LEU 242 CO 0.60 0.71 0.00 2.29 -1.22 0.00 0.00 177.39 179.77 1pgu n LYS 243 N -3.86 0.00 -3.13 3.23 2.85 -1.12 -5.04 118.16 111.08 1pgu n LYS 243 Ca -0.50 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.38 1pgu n LYS 243 Cb 0.92 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.24 1pgu n LYS 243 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1pgu s TYR 244 N -2.00 3.80 -0.45 5.58 4.12 -1.26 -1.44 117.35 125.69 1pgu s TYR 244 Ca 0.00 1.42 -0.22 0.00 0.02 0.00 0.00 57.07 58.29 1pgu s TYR 244 Cb 0.00 -2.62 0.03 0.00 -1.52 0.00 0.00 41.96 37.85 1pgu s TYR 244 CO 0.00 0.50 0.72 0.42 0.02 0.00 0.00 175.55 177.21 1pgu s ILE 245 N -1.23 4.73 -0.07 2.71 -1.09 0.11 -4.93 121.20 121.42 1pgu s ILE 245 Ca 0.35 0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.91 1pgu s ILE 245 Cb -0.20 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1pgu s ILE 245 CO 0.22 -0.69 0.20 -1.83 -1.23 0.00 0.00 174.94 171.61 1pgu s GLU 246 N 3.06 0.23 -0.21 2.79 -1.05 -1.26 -4.42 118.70 117.84 1pgu s GLU 246 Ca 0.25 0.28 -0.00 0.00 -0.15 0.00 0.00 54.97 55.35 1pgu s GLU 246 Cb -0.14 0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.68 1pgu s GLU 246 CO 0.20 -0.03 -0.13 0.34 0.95 0.00 0.00 175.26 176.59 1pgu s ASP 247 N 0.13 3.77 0.59 0.83 3.68 -1.24 -4.74 116.67 119.67 1pgu s ASP 247 Ca -0.00 -0.76 0.29 0.00 2.13 0.00 0.00 52.55 54.20 1pgu s ASP 247 Cb -0.02 -1.57 1.55 0.00 -1.45 0.00 0.00 42.92 41.43 1pgu s ASP 247 CO 0.00 -0.06 1.99 0.44 0.13 0.00 0.00 175.17 177.67 1pgu h ASP 248 N 7.96 0.00 0.41 -0.34 5.19 -2.01 0.17 116.42 127.80 1pgu h ASP 248 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1pgu h ASP 248 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1pgu h ASP 248 CO 0.60 0.00 -0.62 0.00 -3.12 0.00 0.00 179.24 176.10 1pgu n GLN 249 N -3.77 0.02 -3.54 3.56 1.13 -1.26 -4.69 117.38 108.83 1pgu n GLN 249 Ca 0.05 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 1pgu n GLN 249 Cb 0.51 -1.51 -0.12 0.00 0.11 0.00 0.00 30.24 29.23 1pgu n GLN 249 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pgu s GLU 250 N -3.01 0.85 0.37 -1.09 0.41 0.59 -5.11 118.70 111.71 1pgu s GLU 250 Ca 0.10 -1.66 -0.24 0.00 -0.41 0.00 0.00 54.97 52.76 1pgu s GLU 250 Cb 0.17 -1.67 -0.10 0.00 -1.78 0.00 0.00 34.13 30.75 1pgu s GLU 250 CO 0.74 -1.21 0.96 -2.14 -0.49 0.00 0.00 175.26 173.11 1pgu s PRO 251 N 0.70 4.42 -0.32 0.39 0.02 -1.25 -4.24 135.00 134.71 1pgu s PRO 251 Ca 0.20 1.29 -0.22 0.00 0.02 0.00 0.00 61.00 62.29 1pgu s PRO 251 Cb -0.20 -2.58 -0.00 0.00 0.02 0.00 0.00 34.50 31.74 1pgu s PRO 251 CO -0.02 0.13 0.70 0.08 -0.33 0.00 0.00 177.00 177.56 1pgu s VAL 252 N -1.79 4.86 -0.37 3.83 1.01 -1.26 -4.93 120.40 121.75 1pgu s VAL 252 Ca 0.55 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1pgu s VAL 252 Cb -0.16 -4.08 0.65 0.00 0.00 0.00 0.00 36.38 32.79 1pgu s VAL 252 CO 0.21 -0.23 1.77 0.00 0.00 0.00 0.00 175.10 176.85 1pgu n GLN 253 N 6.06 2.65 -3.57 2.72 6.02 -1.26 -4.96 117.38 125.04 1pgu n GLN 253 Ca 0.01 -3.06 -0.09 0.00 -0.01 0.00 0.00 57.00 53.84 1pgu n GLN 253 Cb 0.48 -2.10 -0.04 0.00 1.02 0.00 0.00 30.24 29.60 1pgu n GLN 253 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1pgu s GLY 254 N -1.51 -0.28 0.29 1.08 0.00 -1.26 -4.65 107.32 100.98 1pgu s GLY 254 Ca 0.53 1.88 -0.29 0.00 0.00 0.00 0.00 44.72 46.84 1pgu s GLY 254 CO 0.09 0.89 1.27 0.61 0.00 0.00 0.00 173.10 175.97 1pgu n GLY 255 N 0.51 0.46 3.84 0.20 0.00 -1.26 -4.58 105.19 104.36 1pgu n GLY 255 Ca -0.09 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 1pgu n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgu s ILE 256 N -0.69 4.83 -0.08 -0.61 1.01 -1.01 -0.61 121.20 124.05 1pgu s ILE 256 Ca 0.61 0.93 0.04 0.00 0.00 0.00 0.00 60.65 62.23 1pgu s ILE 256 Cb -0.64 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1pgu s ILE 256 CO 0.57 0.33 -0.02 0.49 0.00 0.00 0.00 174.94 176.31 1pgu n PHE 257 N 1.05 0.00 -3.92 3.97 3.72 0.27 -3.93 117.46 118.61 1pgu n PHE 257 Ca -0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1pgu n PHE 257 Cb 0.52 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 1pgu n PHE 257 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pgu s ALA 258 N -2.18 -0.64 0.15 4.37 0.00 -1.13 -4.32 121.76 118.01 1pgu s ALA 258 Ca -0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1pgu s ALA 258 Cb 0.03 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1pgu s ALA 258 CO 0.26 -0.90 0.35 -0.48 0.00 0.00 0.00 175.76 175.00 1pgu s LEU 259 N -2.97 0.69 -0.29 0.00 2.34 -1.25 -1.79 118.68 115.41 1pgu s LEU 259 Ca 0.17 -0.60 -0.14 0.00 0.06 0.00 0.00 54.13 53.61 1pgu s LEU 259 Cb -0.02 1.56 0.12 0.00 -0.56 0.00 0.00 46.19 47.29 1pgu s LEU 259 CO 0.06 -0.89 0.79 -0.55 -1.06 0.00 0.00 176.35 174.70 1pgu s SER 260 N -2.89 -0.83 0.16 1.48 0.15 -0.58 -4.85 113.70 106.33 1pgu s SER 260 Ca 0.09 1.25 -0.30 0.00 0.70 0.00 0.00 55.95 57.70 1pgu s SER 260 Cb 0.02 1.60 -0.07 0.00 -1.71 0.00 0.00 66.02 65.85 1pgu s SER 260 CO -0.06 -0.19 1.17 0.26 1.20 0.00 0.00 173.24 175.62 1pgu s TRP 261 N 1.97 3.48 -0.02 3.44 0.52 -1.26 -1.01 118.94 126.06 1pgu s TRP 261 Ca -0.08 1.45 -0.11 0.00 0.02 0.00 0.00 56.10 57.38 1pgu s TRP 261 Cb -0.06 -3.38 -0.32 0.00 -1.15 0.00 0.00 33.47 28.56 1pgu s TRP 261 CO -0.18 -1.04 0.80 -0.07 0.02 0.00 0.00 176.95 176.47 1pgu h LEU 262 N 5.54 0.65 0.00 2.99 -0.00 -1.13 -3.42 115.31 119.93 1pgu h LEU 262 Ca -0.44 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 56.58 1pgu h LEU 262 Cb 1.21 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1pgu h LEU 262 CO 0.75 1.71 0.00 -0.90 -0.00 0.00 0.00 178.44 180.01 1pgu n ASP 263 N -3.61 0.00 0.00 -0.43 3.85 -1.10 -4.83 116.55 110.43 1pgu n ASP 263 Ca -0.21 -0.18 0.09 0.00 -0.71 0.00 0.00 54.79 53.79 1pgu n ASP 263 Cb 1.08 0.00 0.47 0.00 -1.35 0.00 0.00 41.12 41.32 1pgu n ASP 263 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1pgu n SER 264 N -0.20 0.00 0.00 -1.12 3.41 -1.26 -3.91 113.62 110.54 1pgu n SER 264 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1pgu n SER 264 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1pgu n SER 264 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pgu n GLN 265 N -1.36 3.08 -4.40 4.33 1.13 -1.26 -4.89 117.38 114.02 1pgu n GLN 265 Ca 0.08 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 1pgu n GLN 265 Cb 0.18 -0.94 -0.12 0.00 0.11 0.00 0.00 30.24 29.47 1pgu n GLN 265 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1pgu s LYS 266 N -1.89 1.88 0.09 -1.09 1.02 -1.25 -1.19 119.74 117.31 1pgu s LYS 266 Ca 0.00 -1.12 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 1pgu s LYS 266 Cb 0.00 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1pgu s LYS 266 CO 0.00 0.50 0.15 -0.59 -0.92 0.00 0.00 175.35 174.48 1pgu s PHE 267 N -1.09 0.30 -0.03 3.18 -0.12 -0.72 -0.49 117.98 119.00 1pgu s PHE 267 Ca 0.17 -0.74 0.07 0.00 -0.05 0.00 0.00 56.93 56.37 1pgu s PHE 267 Cb -0.11 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1pgu s PHE 267 CO 0.09 -0.53 -0.22 0.00 -0.05 0.00 0.00 175.22 174.51 1pgu s ALA 268 N -3.90 2.31 0.14 1.99 0.00 -0.18 -0.27 121.76 121.85 1pgu s ALA 268 Ca 0.08 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.07 1pgu s ALA 268 Cb 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1pgu s ALA 268 CO -0.09 0.53 -0.25 0.95 0.00 0.00 0.00 175.76 176.90 1pgu s THR 269 N -0.60 2.15 -0.00 0.00 -4.23 -0.13 -1.52 115.64 111.30 1pgu s THR 269 Ca 0.09 -1.77 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1pgu s THR 269 Cb -0.11 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 1pgu s THR 269 CO -0.00 0.01 0.05 0.54 -0.54 0.00 0.00 174.62 174.68 1pgu s VAL 270 N -1.23 0.06 0.00 2.29 0.11 -0.74 -1.43 120.40 119.45 1pgu s VAL 270 Ca 0.14 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1pgu s VAL 270 Cb -0.09 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1pgu s VAL 270 CO 0.06 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 1pgu n GLY 271 N 2.15 2.96 0.00 6.54 0.00 -1.24 -0.57 105.19 115.03 1pgu n GLY 271 Ca -0.19 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 44.97 1pgu n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgu n ALA 272 N -3.00 1.35 -0.05 4.61 0.00 0.22 -1.29 120.51 122.35 1pgu n ALA 272 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1pgu n ALA 272 Cb 0.00 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 18.56 1pgu n ALA 272 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pgu n ASP 273 N -1.51 3.67 -4.15 0.00 5.68 -1.26 -4.76 116.55 114.22 1pgu n ASP 273 Ca 0.02 -2.50 -0.29 0.00 -0.50 0.00 0.00 54.79 51.52 1pgu n ASP 273 Cb 0.09 -0.58 -0.06 0.00 -1.14 0.00 0.00 41.12 39.43 1pgu n ASP 273 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pgu n ALA 274 N 0.42 -1.98 -3.50 2.12 0.00 -0.84 -4.84 120.51 111.87 1pgu n ALA 274 Ca 0.16 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1pgu n ALA 274 Cb 0.77 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 1pgu n ALA 274 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pgu s THR 275 N -4.16 0.16 -0.25 0.00 2.01 -1.26 -1.72 115.64 110.42 1pgu s THR 275 Ca 0.03 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 1pgu s THR 275 Cb -0.02 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1pgu s THR 275 CO 0.95 0.12 0.09 -0.63 -0.69 0.00 0.00 174.62 174.46 1pgu s ILE 276 N 0.75 4.51 0.02 1.82 1.09 0.31 -3.59 121.20 126.12 1pgu s ILE 276 Ca -0.07 -0.11 0.08 0.00 -1.10 0.00 0.00 60.65 59.45 1pgu s ILE 276 Cb -0.10 -3.11 -0.03 0.00 -1.06 0.00 0.00 42.46 38.15 1pgu s ILE 276 CO -0.01 0.33 -0.24 -0.13 -0.10 0.00 0.00 174.94 174.78 1pgu s ARG 277 N 1.61 1.95 -0.18 2.79 0.52 -0.51 -1.28 118.95 123.85 1pgu s ARG 277 Ca 0.06 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1pgu s ARG 277 Cb -0.15 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1pgu s ARG 277 CO 0.05 0.53 -0.14 0.08 0.02 0.00 0.00 175.30 175.85 1pgu s VAL 278 N -0.77 2.68 0.31 3.52 1.01 -0.11 -0.96 120.40 126.09 1pgu s VAL 278 Ca 0.12 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1pgu s VAL 278 Cb -0.10 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1pgu s VAL 278 CO 0.02 0.50 0.04 0.26 0.00 0.00 0.00 175.10 175.91 1pgu s TRP 279 N 1.12 2.63 -0.28 5.22 0.52 0.63 0.06 118.94 128.84 1pgu s TRP 279 Ca 0.00 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1pgu s TRP 279 Cb -0.14 -1.42 0.06 0.00 -1.15 0.00 0.00 33.47 30.81 1pgu s TRP 279 CO -0.05 0.49 -0.07 0.34 0.02 0.00 0.00 176.95 177.69 1pgu s ASP 280 N -3.73 4.61 0.28 2.95 -1.08 -0.97 -1.76 116.67 116.96 1pgu s ASP 280 Ca 0.34 -1.38 0.02 0.00 -0.52 0.00 0.00 52.55 51.02 1pgu s ASP 280 Cb -0.03 -1.61 0.64 0.00 -1.46 0.00 0.00 42.92 40.46 1pgu s ASP 280 CO 0.20 -0.22 1.74 -0.37 0.52 0.00 0.00 175.17 177.04 1pgu h VAL 281 N 6.67 0.63 0.71 1.11 -1.51 -1.50 0.82 116.25 123.18 1pgu h VAL 281 Ca -0.19 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1pgu h VAL 281 Cb 1.05 0.02 0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1pgu h VAL 281 CO 0.49 0.10 -0.34 0.74 -1.23 0.00 0.00 177.57 177.33 1pgu h THR 282 N 0.56 0.00 0.00 7.19 2.02 -1.96 -3.22 112.91 117.49 1pgu h THR 282 Ca 0.52 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.63 1pgu h THR 282 Cb 0.85 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1pgu h THR 282 CO -0.43 0.00 -0.15 0.71 0.37 0.00 0.00 175.52 176.02 1pgu h THR 283 N -0.99 0.31 -0.74 3.16 1.35 -1.92 -3.47 112.91 110.61 1pgu h THR 283 Ca -0.10 -1.15 -0.23 0.00 -0.55 0.00 0.00 66.41 64.38 1pgu h THR 283 Cb 0.73 1.91 -0.08 0.00 -1.73 0.00 0.00 68.15 68.98 1pgu h THR 283 CO 0.16 0.15 -0.23 -0.24 -0.25 0.00 0.00 175.52 175.11 1pgu n SER 284 N -3.20 -4.25 -4.86 5.36 2.88 0.28 -5.01 113.62 104.82 1pgu n SER 284 Ca 0.02 0.23 -0.31 0.00 -1.33 0.00 0.00 58.87 57.48 1pgu n SER 284 Cb 0.49 -2.89 -0.05 0.00 -0.75 0.00 0.00 64.21 61.01 1pgu n SER 284 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1pgu s LYS 285 N -3.26 3.21 -0.51 -1.46 1.02 -1.24 -3.73 119.74 113.78 1pgu s LYS 285 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 1pgu s LYS 285 Cb 0.00 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1pgu s LYS 285 CO 0.00 0.59 1.01 0.00 -0.92 0.00 0.00 175.35 176.03 1pgu h VAL 287 N 6.10 1.41 -2.76 0.00 2.07 -0.71 -3.47 116.25 118.89 1pgu h VAL 287 Ca -0.25 -2.20 -0.10 0.00 0.82 0.00 0.00 66.70 64.97 1pgu h VAL 287 Cb 1.07 2.16 -0.20 0.00 -1.52 0.00 0.00 31.29 32.80 1pgu h VAL 287 CO 1.09 0.65 -0.17 -1.58 0.02 0.00 0.00 177.57 177.59 1pgu s GLN 288 N -3.56 0.73 0.03 1.57 2.00 -1.15 -5.00 119.66 114.28 1pgu s GLN 288 Ca -0.05 0.02 -0.00 0.00 -2.00 0.00 0.00 55.36 53.33 1pgu s GLN 288 Cb 0.11 0.33 -0.02 0.00 0.80 0.00 0.00 33.01 34.23 1pgu s GLN 288 CO 0.82 -0.20 -0.03 0.21 -0.50 0.00 0.00 175.29 175.60 1pgu s LYS 289 N -1.08 0.37 -0.03 1.67 2.20 -1.26 -0.93 119.74 120.67 1pgu s LYS 289 Ca -0.11 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1pgu s LYS 289 Cb -0.04 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1pgu s LYS 289 CO 0.05 -0.06 0.08 -1.58 -0.36 0.00 0.00 175.35 173.48 1pgu s TRP 290 N -1.86 -0.07 0.15 4.03 0.51 -0.40 -4.99 118.94 116.30 1pgu s TRP 290 Ca -0.12 0.23 0.06 0.00 -2.12 0.00 0.00 56.10 54.15 1pgu s TRP 290 Cb -0.07 -0.03 -0.04 0.00 -0.81 0.00 0.00 33.47 32.52 1pgu s TRP 290 CO -0.02 -0.07 -0.13 0.95 -0.51 0.00 0.00 176.95 177.17 1pgu s THR 291 N 0.39 1.41 0.27 2.01 -4.23 -1.26 -0.53 115.64 113.70 1pgu s THR 291 Ca -0.03 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1pgu s THR 291 Cb -0.04 -1.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.99 1pgu s THR 291 CO -0.01 -0.54 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.71 1pgu s LEU 292 N -2.86 2.44 -0.18 4.79 1.02 -0.70 -5.02 118.68 118.17 1pgu s LEU 292 Ca 0.14 -1.19 -0.29 0.00 0.02 0.00 0.00 54.13 52.82 1pgu s LEU 292 Cb -0.02 -0.58 -0.05 0.00 0.02 0.00 0.00 46.19 45.56 1pgu s LEU 292 CO 0.03 -0.37 2.00 -0.62 0.02 0.00 0.00 176.35 177.42 1pgu s ASP 293 N -3.42 5.88 0.60 2.29 2.15 -1.26 -4.85 116.67 118.06 1pgu s ASP 293 Ca 0.29 1.92 0.36 0.00 0.43 0.00 0.00 52.55 55.55 1pgu s ASP 293 Cb 0.04 -2.52 1.92 0.00 -0.30 0.00 0.00 42.92 42.06 1pgu s ASP 293 CO 0.11 -1.62 2.22 0.11 -0.17 0.00 0.00 175.17 175.82 1pgu h LYS 294 N 13.10 0.00 0.00 4.34 1.57 -1.90 -2.69 116.57 130.99 1pgu h LYS 294 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1pgu h LYS 294 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1pgu h LYS 294 CO 0.97 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 180.92 1pgu n GLN 295 N -3.33 0.71 -4.02 3.15 6.02 -1.26 -4.52 117.38 114.12 1pgu n GLN 295 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1pgu n GLN 295 Cb 0.15 -1.47 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 1pgu n GLN 295 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pgu s GLN 296 N -2.00 1.91 0.32 -1.09 -0.21 -1.02 -4.99 119.66 112.58 1pgu s GLN 296 Ca 0.32 -1.37 0.05 0.00 0.02 0.00 0.00 55.36 54.38 1pgu s GLN 296 Cb 0.15 -2.86 0.84 0.00 1.00 0.00 0.00 33.01 32.14 1pgu s GLN 296 CO 0.25 -0.66 1.55 -0.11 -2.12 0.00 0.00 175.29 174.20 1pgu n LEU 297 N 4.46 -0.05 0.21 2.90 7.94 -1.26 -0.06 117.00 131.14 1pgu n LEU 297 Ca -0.10 1.68 0.12 0.00 -1.11 0.00 0.00 56.01 56.60 1pgu n LEU 297 Cb 0.42 -0.64 0.66 0.00 0.53 0.00 0.00 43.42 44.40 1pgu n LEU 297 CO 0.20 -1.72 0.91 1.23 -1.11 0.00 0.00 177.39 176.90 1pgu h GLY 298 N 0.00 0.00 0.40 -3.96 0.00 -1.94 -1.88 103.07 95.70 1pgu h GLY 298 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1pgu h GLY 298 CO -0.91 0.00 -0.12 0.70 0.00 0.00 0.00 176.54 176.21 1pgu n ASN 299 N -2.41 0.83 -4.77 0.19 3.02 0.91 -2.42 115.26 110.61 1pgu n ASN 299 Ca -0.02 -0.91 -0.40 0.00 -0.03 0.00 0.00 54.58 53.22 1pgu n ASN 299 Cb 0.15 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1pgu n ASN 299 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pgu s GLN 300 N -2.33 3.83 -0.22 3.52 -0.21 -0.71 -4.32 119.66 119.22 1pgu s GLN 300 Ca 0.31 2.49 -0.11 0.00 0.02 0.00 0.00 55.36 58.07 1pgu s GLN 300 Cb 0.20 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 1pgu s GLN 300 CO 0.45 -0.73 0.20 -0.65 -2.12 0.00 0.00 175.29 172.43 1pgu s GLN 301 N -2.33 4.13 -0.01 2.91 -1.52 -0.41 -0.15 119.66 122.28 1pgu s GLN 301 Ca 0.58 -0.16 0.15 0.00 -1.95 0.00 0.00 55.36 53.98 1pgu s GLN 301 Cb -0.45 -3.50 -0.20 0.00 -0.22 0.00 0.00 33.01 28.64 1pgu s GLN 301 CO 0.59 0.12 0.48 0.28 -0.25 0.00 0.00 175.29 176.51 1pgu n VAL 302 N 4.05 0.00 -3.86 1.09 0.31 0.93 -3.76 118.33 117.08 1pgu n VAL 302 Ca -0.14 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.85 1pgu n VAL 302 Cb 0.52 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 33.97 1pgu n VAL 302 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pgu s GLY 303 N -3.11 0.11 -0.13 2.92 0.00 -1.09 -1.87 107.32 104.15 1pgu s GLY 303 Ca -0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 1pgu s GLY 303 CO 0.62 -0.31 0.90 0.54 0.00 0.00 0.00 173.10 174.85 1pgu s VAL 304 N -3.94 0.00 -0.23 1.40 0.11 -1.26 -0.76 120.40 115.72 1pgu s VAL 304 Ca 0.14 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 1pgu s VAL 304 Cb -0.03 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.89 1pgu s VAL 304 CO 0.05 0.00 0.60 0.54 -3.33 0.00 0.00 175.10 172.96 1pgu s VAL 305 N -1.08 -0.00 -0.01 2.04 0.11 -0.05 -4.67 120.40 116.74 1pgu s VAL 305 Ca -0.04 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1pgu s VAL 305 Cb -0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1pgu s VAL 305 CO 0.04 0.01 0.80 0.00 -3.33 0.00 0.00 175.10 172.62 1pgu s ALA 306 N 0.88 3.30 -0.30 1.54 0.00 -1.26 -1.07 121.76 124.84 1pgu s ALA 306 Ca -0.04 0.30 0.16 0.00 0.00 0.00 0.00 51.96 52.37 1pgu s ALA 306 Cb -0.05 -3.08 0.57 0.00 0.00 0.00 0.00 23.12 20.56 1pgu s ALA 306 CO -0.07 -0.08 1.47 0.25 0.00 0.00 0.00 175.76 177.33 1pgu n THR 307 N 3.46 2.23 0.00 0.00 -2.24 -0.51 -4.90 114.28 112.32 1pgu n THR 307 Ca 0.00 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1pgu n THR 307 Cb 0.51 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1pgu n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgu n GLY 308 N -0.16 -1.06 3.95 3.38 0.00 -1.25 -4.79 105.19 105.27 1pgu n GLY 308 Ca 0.22 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1pgu n GLY 308 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pgu n ASN 309 N -1.14 -2.33 0.00 1.61 3.02 -1.26 -1.09 115.26 114.06 1pgu n ASN 309 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1pgu n ASN 309 Cb 0.00 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1pgu n ASN 309 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pgu n GLY 310 N -1.70 2.96 3.77 7.41 0.00 -1.26 -4.88 105.19 111.49 1pgu n GLY 310 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1pgu n GLY 310 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pgu s ARG 311 N 0.00 4.26 -0.02 1.61 0.52 -0.25 -1.44 118.95 123.62 1pgu s ARG 311 Ca 0.00 1.69 -0.02 0.00 -0.52 0.00 0.00 55.73 56.89 1pgu s ARG 311 Cb 0.00 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1pgu s ARG 311 CO 0.00 -0.10 0.05 0.42 0.02 0.00 0.00 175.30 175.69 1pgu s ILE 312 N -1.45 -0.00 -0.13 1.52 1.01 -0.12 -1.42 121.20 120.61 1pgu s ILE 312 Ca 0.54 0.00 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1pgu s ILE 312 Cb -0.27 -0.08 0.01 0.00 0.01 0.00 0.00 42.46 42.13 1pgu s ILE 312 CO 0.35 0.00 -0.18 -0.63 0.00 0.00 0.00 174.94 174.48 1pgu s ILE 313 N 0.04 1.76 -0.06 2.92 1.01 -0.23 -0.61 121.20 126.03 1pgu s ILE 313 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1pgu s ILE 313 Cb -0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1pgu s ILE 313 CO 0.00 0.49 -0.11 -0.55 0.00 0.00 0.00 174.94 174.77 1pgu s SER 314 N 1.04 4.31 -0.25 3.58 0.15 0.10 -0.87 113.70 121.75 1pgu s SER 314 Ca -0.04 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.42 1pgu s SER 314 Cb -0.15 -0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1pgu s SER 314 CO -0.04 0.35 0.07 -0.22 1.20 0.00 0.00 173.24 174.60 1pgu s LEU 315 N -0.76 3.45 0.56 3.45 2.96 0.06 0.31 118.68 128.71 1pgu s LEU 315 Ca 0.12 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 1pgu s LEU 315 Cb -0.11 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 1pgu s LEU 315 CO 0.01 -0.02 1.01 -0.44 -1.32 0.00 0.00 176.35 175.58 1pgu s SER 316 N 1.55 6.42 0.56 3.68 0.01 -0.19 -0.05 113.70 125.68 1pgu s SER 316 Ca 0.06 1.54 0.24 0.00 1.31 0.00 0.00 55.95 59.10 1pgu s SER 316 Cb -0.15 -2.50 1.57 0.00 0.21 0.00 0.00 66.02 65.15 1pgu s SER 316 CO 0.04 -0.73 2.20 0.25 0.41 0.00 0.00 173.24 175.41 1pgu h LEU 317 N 0.47 0.00 -0.34 2.44 5.85 -0.44 -0.53 115.31 122.76 1pgu h LEU 317 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1pgu h LEU 317 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1pgu h LEU 317 CO 0.61 0.01 0.00 -0.90 -0.34 0.00 0.00 178.44 177.82 1pgu n ASP 318 N -4.13 0.48 0.00 1.25 5.68 -1.02 -4.81 116.55 114.00 1pgu n ASP 318 Ca -0.03 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1pgu n ASP 318 Cb 0.10 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1pgu n ASP 318 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pgu n GLY 319 N 0.60 2.00 3.76 6.12 0.00 -0.21 -4.86 105.19 112.60 1pgu n GLY 319 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1pgu n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pgu s THR 320 N -2.78 3.24 -0.19 2.61 2.01 -1.26 -4.27 115.64 115.00 1pgu s THR 320 Ca 0.00 1.20 -0.13 0.00 0.31 0.00 0.00 61.69 63.07 1pgu s THR 320 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1pgu s THR 320 CO 0.00 0.27 0.27 -0.76 -0.69 0.00 0.00 174.62 173.71 1pgu s LEU 321 N -1.30 4.20 -0.24 4.42 1.43 -0.22 -1.02 118.68 125.95 1pgu s LEU 321 Ca 0.48 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.94 1pgu s LEU 321 Cb -0.35 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1pgu s LEU 321 CO 0.44 0.06 -0.03 0.20 0.23 0.00 0.00 176.35 177.26 1pgu s ASN 322 N 0.69 4.42 -0.22 2.29 0.01 0.15 -1.71 114.94 120.58 1pgu s ASN 322 Ca 0.14 -0.54 -0.16 0.00 -0.71 0.00 0.00 52.86 51.60 1pgu s ASN 322 Cb -0.13 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.75 1pgu s ASN 322 CO 0.04 -0.07 0.39 -0.36 -1.51 0.00 0.00 177.10 175.59 1pgu s PHE 323 N 1.45 3.35 0.27 2.20 0.40 -0.90 -0.73 117.98 124.02 1pgu s PHE 323 Ca 0.04 0.57 0.03 0.00 -0.60 0.00 0.00 56.93 56.97 1pgu s PHE 323 Cb -0.15 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.79 1pgu s PHE 323 CO -0.03 -0.05 0.05 0.71 0.70 0.00 0.00 175.22 176.61 1pgu s TYR 324 N 1.46 1.66 -0.15 0.36 1.51 0.22 -0.85 117.35 121.55 1pgu s TYR 324 Ca 0.18 -1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 55.13 1pgu s TYR 324 Cb -0.15 -1.01 0.06 0.00 -0.11 0.00 0.00 41.96 40.76 1pgu s TYR 324 CO 0.08 -0.15 0.34 -2.00 -1.11 0.00 0.00 175.55 172.72 1pgu s GLU 325 N -3.94 0.29 0.18 -0.62 2.12 -1.26 -0.94 118.70 114.53 1pgu s GLU 325 Ca 0.34 0.75 -0.33 0.00 0.36 0.00 0.00 54.97 56.10 1pgu s GLU 325 Cb 0.07 0.00 -0.15 0.00 0.26 0.00 0.00 34.13 34.32 1pgu s GLU 325 CO 0.12 -0.20 1.33 -0.11 -0.54 0.00 0.00 175.26 175.87 1pgu n LEU 326 N 4.62 2.31 0.00 2.70 0.00 -0.52 -1.54 117.00 124.56 1pgu n LEU 326 Ca -0.19 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1pgu n LEU 326 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1pgu n LEU 326 CO 0.08 -0.84 0.00 0.61 0.00 0.00 0.00 177.39 177.24 1pgu n GLY 327 N 2.33 0.93 2.92 -3.96 0.00 -1.26 -4.99 105.19 101.16 1pgu n GLY 327 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1pgu n GLY 327 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pgu s HIS 328 N -2.93 2.70 -2.00 1.61 5.65 -0.59 -5.00 115.29 114.73 1pgu s HIS 328 Ca 0.00 -2.17 0.07 0.00 0.25 0.00 0.00 55.06 53.22 1pgu s HIS 328 Cb 0.00 -2.04 0.43 0.00 -1.18 0.00 0.00 32.58 29.79 1pgu s HIS 328 CO 0.00 -0.86 0.85 -0.25 -0.65 0.00 0.00 174.74 173.83 1pgu n ASP 329 N 4.57 0.00 -4.30 9.88 9.92 -1.26 -4.53 116.55 130.83 1pgu n ASP 329 Ca -0.05 -0.36 -0.26 0.00 -0.53 0.00 0.00 54.79 53.59 1pgu n ASP 329 Cb 0.43 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.77 1pgu n ASP 329 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1pgu s GLU 330 N -2.00 1.35 0.22 -1.24 2.02 -1.26 -4.99 118.70 112.80 1pgu s GLU 330 Ca 0.11 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 1pgu s GLU 330 Cb 0.05 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.59 1pgu s GLU 330 CO 0.08 0.39 1.47 0.54 0.02 0.00 0.00 175.26 177.77 1pgu s VAL 331 N -0.97 2.68 0.00 2.63 0.11 -1.26 -4.73 120.40 118.87 1pgu s VAL 331 Ca 0.09 0.54 -0.22 0.00 -2.93 0.00 0.00 61.98 59.45 1pgu s VAL 331 Cb -0.10 -3.35 -0.18 0.00 -1.53 0.00 0.00 36.38 31.23 1pgu s VAL 331 CO 0.03 0.07 1.25 -0.07 -3.33 0.00 0.00 175.10 173.06 1pgu h LEU 332 N 5.59 0.26 -7.58 2.54 3.38 -1.36 -3.49 115.31 114.65 1pgu h LEU 332 Ca -0.45 -0.55 0.21 0.00 0.09 0.00 0.00 57.88 57.18 1pgu h LEU 332 Cb 1.21 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1pgu h LEU 332 CO 0.82 0.76 0.57 -1.59 0.09 0.00 0.00 178.44 179.10 1pgu s LYS 333 N -4.01 1.01 0.01 1.13 -2.85 -1.24 -5.04 119.74 108.76 1pgu s LYS 333 Ca -0.15 -0.57 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1pgu s LYS 333 Cb 0.03 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1pgu s LYS 333 CO 0.73 -0.46 -0.09 -0.08 0.10 0.00 0.00 175.35 175.55 1pgu s THR 334 N -3.01 0.65 -0.20 3.79 -1.32 -1.26 -2.11 115.64 112.19 1pgu s THR 334 Ca 0.13 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1pgu s THR 334 Cb 0.00 -0.60 0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1pgu s THR 334 CO 0.01 -0.00 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.69 1pgu s ILE 335 N -0.59 1.56 0.38 5.08 1.01 -0.69 -4.98 121.20 122.97 1pgu s ILE 335 Ca -0.01 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1pgu s ILE 335 Cb -0.05 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 1pgu s ILE 335 CO 0.00 0.15 0.12 -0.44 0.00 0.00 0.00 174.94 174.78 1pgu s SER 336 N 1.43 4.37 0.00 3.58 0.01 -1.26 -1.05 113.70 120.78 1pgu s SER 336 Ca -0.01 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1pgu s SER 336 Cb -0.16 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1pgu s SER 336 CO -0.08 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1pgu n GLY 337 N -1.14 -1.26 3.89 3.44 0.00 -1.26 -4.99 105.19 103.87 1pgu n GLY 337 Ca -0.02 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1pgu n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pgu s HIS 338 N -3.00 3.55 0.00 1.61 3.76 -1.26 -4.74 115.29 115.21 1pgu s HIS 338 Ca 0.00 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1pgu s HIS 338 Cb 0.00 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1pgu s HIS 338 CO 0.00 -0.32 0.77 0.27 -0.85 0.00 0.00 174.74 174.62 1pgu n ASN 339 N -2.08 0.00 -4.07 1.40 0.23 -1.26 0.07 115.26 109.55 1pgu n ASN 339 Ca 0.02 -1.60 -0.15 0.00 -0.53 0.00 0.00 54.58 52.33 1pgu n ASN 339 Cb 0.55 -0.12 -0.12 0.00 -2.08 0.00 0.00 39.78 38.00 1pgu n ASN 339 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1pgu s LYS 340 N 0.00 0.59 0.24 -3.83 -0.14 -1.26 -4.65 119.74 110.69 1pgu s LYS 340 Ca 0.00 -0.68 -0.28 0.00 -1.36 0.00 0.00 55.97 53.65 1pgu s LYS 340 Cb 0.00 -0.45 -0.16 0.00 -1.68 0.00 0.00 37.83 35.55 1pgu s LYS 340 CO 0.00 0.10 0.78 0.41 -0.76 0.00 0.00 175.35 175.88 1pgu n GLY 341 N 1.75 -0.96 3.74 -3.33 0.00 -1.26 -4.50 105.19 100.64 1pgu n GLY 341 Ca -0.20 0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1pgu n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgu s ILE 342 N -0.99 5.00 -0.02 -0.61 1.01 -1.08 -1.51 121.20 122.99 1pgu s ILE 342 Ca 0.62 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1pgu s ILE 342 Cb -0.82 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 37.66 1pgu s ILE 342 CO 0.58 0.33 0.04 0.35 0.00 0.00 0.00 174.94 176.24 1pgu n THR 343 N 3.32 0.00 -4.13 2.92 -2.24 0.17 -4.61 114.28 109.70 1pgu n THR 343 Ca -0.04 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1pgu n THR 343 Cb 0.51 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 1pgu n THR 343 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pgu s ALA 344 N -1.73 0.64 -0.06 6.98 0.00 -0.93 -4.81 121.76 121.84 1pgu s ALA 344 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1pgu s ALA 344 Cb 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1pgu s ALA 344 CO 0.05 0.06 0.20 -1.17 0.00 0.00 0.00 175.76 174.90 1pgu s LEU 345 N -1.10 1.24 0.17 0.00 1.98 -1.26 -1.39 118.68 118.32 1pgu s LEU 345 Ca -0.05 0.32 0.05 0.00 -2.89 0.00 0.00 54.13 51.56 1pgu s LEU 345 Cb -0.07 0.72 -0.05 0.00 0.66 0.00 0.00 46.19 47.45 1pgu s LEU 345 CO 0.00 -0.12 -0.08 0.28 -1.89 0.00 0.00 176.35 174.54 1pgu s THR 346 N -0.14 1.19 0.02 3.68 -1.32 0.94 -4.76 115.64 115.25 1pgu s THR 346 Ca -0.02 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 1pgu s THR 346 Cb -0.02 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.97 1pgu s THR 346 CO 0.01 -0.64 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.05 1pgu s VAL 347 N -3.32 0.16 -0.83 5.08 1.01 -1.26 -2.69 120.40 118.56 1pgu s VAL 347 Ca 0.20 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1pgu s VAL 347 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 1pgu s VAL 347 CO 0.03 -0.46 0.69 0.59 0.00 0.00 0.00 175.10 175.95 1pgu n ASN 348 N 1.66 -6.46 -4.89 3.32 3.02 -1.26 -4.65 115.26 106.01 1pgu n ASN 348 Ca -0.23 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.51 1pgu n ASN 348 Cb 0.55 -3.84 0.04 0.00 -0.61 0.00 0.00 39.78 35.92 1pgu n ASN 348 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1pgu s PRO 349 N -4.07 3.02 -0.31 3.52 0.04 -1.26 -5.02 135.00 130.91 1pgu s PRO 349 Ca 0.07 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1pgu s PRO 349 Cb -0.02 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1pgu s PRO 349 CO 0.81 -0.87 1.10 -1.17 0.04 0.00 0.00 177.00 176.92 1pgu s LEU 350 N -5.24 3.94 -0.00 -3.56 2.96 -1.26 -4.79 118.68 110.72 1pgu s LEU 350 Ca 0.56 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1pgu s LEU 350 Cb -0.11 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1pgu s LEU 350 CO 0.51 -0.89 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.93 1pgu s ILE 351 N 3.70 0.73 0.04 6.68 1.01 -1.09 -2.23 121.20 130.04 1pgu s ILE 351 Ca 0.47 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1pgu s ILE 351 Cb -0.13 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 1pgu s ILE 351 CO 0.16 0.18 -0.08 -0.94 0.00 0.00 0.00 174.94 174.26 1pgu s SER 352 N -0.28 0.92 0.06 3.58 1.04 -1.26 -0.04 113.70 117.71 1pgu s SER 352 Ca 0.03 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1pgu s SER 352 Cb -0.04 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1pgu s SER 352 CO -0.00 -0.18 -0.12 -0.83 0.98 0.00 0.00 173.24 173.09 1pgu s GLY 353 N -1.51 0.73 0.46 7.32 0.00 -0.49 -4.25 107.32 109.58 1pgu s GLY 353 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.79 1pgu s GLY 353 CO 0.01 -0.91 0.03 -1.35 0.00 0.00 0.00 173.10 170.87 1pgu s SER 354 N -1.57 4.05 0.00 1.64 1.04 -0.10 0.41 113.70 119.16 1pgu s SER 354 Ca -0.04 -1.48 0.19 0.00 0.48 0.00 0.00 55.95 55.10 1pgu s SER 354 Cb -0.10 0.05 1.10 0.00 0.10 0.00 0.00 66.02 67.17 1pgu s SER 354 CO 0.02 -0.66 1.57 0.00 0.98 0.00 0.00 173.24 175.14 1pgu n TYR 355 N -1.14 0.00 1.11 5.02 0.18 -0.57 -1.01 117.16 120.74 1pgu n TYR 355 Ca -0.11 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.79 1pgu n TYR 355 Cb 0.67 -0.10 0.16 0.00 -0.38 0.00 0.00 39.34 39.69 1pgu n TYR 355 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1pgu n ASP 356 N -1.10 1.66 0.00 9.48 5.68 -1.26 -0.87 116.55 130.14 1pgu n ASP 356 Ca 0.13 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1pgu n ASP 356 Cb 0.10 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1pgu n ASP 356 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pgu n GLY 357 N 1.38 0.68 3.76 6.12 0.00 -0.18 -2.85 105.19 114.11 1pgu n GLY 357 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1pgu n GLY 357 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pgu s ARG 358 N -0.72 4.42 0.11 1.61 3.52 -1.26 -4.02 118.95 122.61 1pgu s ARG 358 Ca 0.00 2.10 0.01 0.00 -0.13 0.00 0.00 55.73 57.71 1pgu s ARG 358 Cb 0.00 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1pgu s ARG 358 CO 0.00 -0.12 0.03 -0.89 -0.81 0.00 0.00 175.30 173.51 1pgu n ILE 359 N 1.32 0.00 -3.18 4.11 5.41 -0.77 -0.92 119.36 125.32 1pgu n ILE 359 Ca 0.01 -0.60 0.02 0.00 1.00 0.00 0.00 62.75 63.19 1pgu n ILE 359 Cb 0.43 0.20 -0.01 0.00 -0.71 0.00 0.00 39.64 39.55 1pgu n ILE 359 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1pgu s GLU 361 N -2.40 0.73 0.56 0.38 2.02 -0.08 -0.30 118.70 119.61 1pgu s GLU 361 Ca 0.04 -0.02 0.26 0.00 0.02 0.00 0.00 54.97 55.27 1pgu s GLU 361 Cb 0.00 0.14 1.62 0.00 0.10 0.00 0.00 34.13 35.99 1pgu s GLU 361 CO 0.03 -1.13 2.20 -1.49 0.02 0.00 0.00 175.26 174.89 1pgu h TRP 362 N 7.26 0.00 -0.38 1.61 4.06 -1.74 0.28 115.95 127.03 1pgu h TRP 362 Ca 0.03 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 1pgu h TRP 362 Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 1pgu h TRP 362 CO 0.18 0.03 -0.01 0.66 -3.56 0.00 0.00 178.44 175.73 1pgu h SER 363 N 0.00 0.58 -0.03 -3.49 4.64 -1.97 -3.15 113.55 110.13 1pgu h SER 363 Ca -0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1pgu h SER 363 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1pgu h SER 363 CO 0.00 0.66 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 1pgu n SER 364 N -4.25 1.51 -3.62 4.97 3.41 -1.03 -5.01 113.62 109.60 1pgu n SER 364 Ca 0.02 -1.35 -0.23 0.00 -0.26 0.00 0.00 58.87 57.05 1pgu n SER 364 Cb 0.27 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.27 1pgu n SER 364 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pgu n SER 365 N 0.06 -4.18 -2.94 4.04 7.64 0.91 -5.06 113.62 114.10 1pgu n SER 365 Ca 0.02 -0.64 -0.07 0.00 1.01 0.00 0.00 58.87 59.19 1pgu n SER 365 Cb 0.13 -4.73 0.01 0.00 -1.01 0.00 0.00 64.21 58.62 1pgu n SER 365 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pgu n SER 366 N -3.02 0.97 -3.64 6.43 7.64 -0.85 -4.95 113.62 116.20 1pgu n SER 366 Ca -0.11 -1.53 -0.04 0.00 1.01 0.00 0.00 58.87 58.19 1pgu n SER 366 Cb 0.60 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1pgu n SER 366 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1pgu s HIS 368 N -0.40 -0.13 -0.31 1.43 3.76 0.59 -0.90 115.29 119.33 1pgu s HIS 368 Ca 0.16 0.28 0.17 0.00 -0.15 0.00 0.00 55.06 55.53 1pgu s HIS 368 Cb -0.01 0.47 0.47 0.00 1.11 0.00 0.00 32.58 34.62 1pgu s HIS 368 CO 0.10 -0.09 1.05 1.04 -0.85 0.00 0.00 174.74 175.99 1pgu n GLN 369 N 1.12 1.86 0.02 1.40 6.02 -1.26 -1.85 117.38 124.70 1pgu n GLN 369 Ca -0.07 -3.58 -0.19 0.00 -0.01 0.00 0.00 57.00 53.16 1pgu n GLN 369 Cb 0.58 -1.59 -0.14 0.00 1.02 0.00 0.00 30.24 30.10 1pgu n GLN 369 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1pgu h ASP 370 N 2.73 0.36 -4.29 1.08 3.32 -1.93 -3.45 116.42 114.23 1pgu h ASP 370 Ca -0.02 -0.95 -0.50 0.00 0.02 0.00 0.00 57.03 55.58 1pgu h ASP 370 Cb 1.22 -0.12 0.06 0.00 0.22 0.00 0.00 39.33 40.72 1pgu h ASP 370 CO 0.44 1.33 0.39 -1.00 -1.72 0.00 0.00 179.24 178.68 1pgu s HIS 371 N -2.39 3.33 -0.19 4.55 3.76 -1.26 -4.98 115.29 118.11 1pgu s HIS 371 Ca -0.15 1.41 0.04 0.00 -0.15 0.00 0.00 55.06 56.20 1pgu s HIS 371 Cb 0.00 -2.83 0.09 0.00 1.11 0.00 0.00 32.58 30.94 1pgu s HIS 371 CO 0.79 -0.85 1.06 -1.13 -0.85 0.00 0.00 174.74 173.77 1pgu n SER 372 N -2.46 2.23 -3.88 1.40 3.41 -1.26 -4.58 113.62 108.48 1pgu n SER 372 Ca 0.07 -2.09 -0.07 0.00 -0.26 0.00 0.00 58.87 56.52 1pgu n SER 372 Cb 0.54 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1pgu n SER 372 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1pgu s ASN 373 N -1.14 -0.23 0.00 4.04 3.84 -1.13 -4.72 114.94 115.61 1pgu s ASN 373 Ca 0.07 -0.67 -0.25 0.00 0.21 0.00 0.00 52.86 52.22 1pgu s ASN 373 Cb 0.05 0.70 -0.13 0.00 -0.55 0.00 0.00 41.25 41.32 1pgu s ASN 373 CO 0.03 -1.31 0.68 -0.11 -2.79 0.00 0.00 177.10 173.60 1pgu n LEU 374 N -0.45 -0.02 -4.59 3.21 0.00 -0.05 -2.69 117.00 112.41 1pgu n LEU 374 Ca -0.04 0.74 -0.42 0.00 0.00 0.00 0.00 56.01 56.29 1pgu n LEU 374 Cb 0.60 -0.59 -0.05 0.00 0.00 0.00 0.00 43.42 43.38 1pgu n LEU 374 CO 0.16 -1.23 0.63 -0.63 0.00 0.00 0.00 177.39 176.33 1pgu s ILE 375 N -0.01 4.70 0.11 1.96 -1.09 -1.02 -1.03 121.20 124.83 1pgu s ILE 375 Ca 0.58 1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 59.99 1pgu s ILE 375 Cb -0.81 -4.24 -0.22 0.00 -1.58 0.00 0.00 42.46 35.61 1pgu s ILE 375 CO 0.36 -0.44 1.24 0.58 -1.23 0.00 0.00 174.94 175.45 1pgu h VAL 376 N 5.76 1.51 -2.42 2.92 2.07 -1.12 -3.34 116.25 121.62 1pgu h VAL 376 Ca -0.24 -2.90 0.09 0.00 0.82 0.00 0.00 66.70 64.47 1pgu h VAL 376 Cb 1.09 2.73 -0.14 0.00 -1.52 0.00 0.00 31.29 33.45 1pgu h VAL 376 CO 0.93 0.84 0.44 -0.94 0.02 0.00 0.00 177.57 178.86 1pgu s SER 377 N -7.03 -0.39 -0.01 0.57 1.04 -1.20 -4.49 113.70 102.19 1pgu s SER 377 Ca -0.03 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1pgu s SER 377 Cb 0.08 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1pgu s SER 377 CO 0.86 -0.71 -0.05 -0.76 0.98 0.00 0.00 173.24 173.56 1pgu s LEU 378 N -2.56 1.95 -0.08 2.42 1.02 -1.26 -2.31 118.68 117.85 1pgu s LEU 378 Ca 0.05 -0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1pgu s LEU 378 Cb -0.01 -0.30 0.02 0.00 0.02 0.00 0.00 46.19 45.93 1pgu s LEU 378 CO -0.09 0.06 -0.05 -0.62 0.02 0.00 0.00 176.35 175.66 1pgu s ASP 379 N -0.04 1.74 -0.19 2.29 -1.08 0.34 -4.83 116.67 114.90 1pgu s ASP 379 Ca 0.01 -0.21 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 1pgu s ASP 379 Cb -0.03 -0.65 0.41 0.00 -1.46 0.00 0.00 42.92 41.19 1pgu s ASP 379 CO -0.00 -0.11 1.21 -0.46 0.52 0.00 0.00 175.17 176.33 1pgu n ASN 380 N 4.71 1.67 0.21 -0.34 6.94 -1.26 -0.05 115.26 127.13 1pgu n ASN 380 Ca -0.14 -3.70 0.06 0.00 -0.02 0.00 0.00 54.58 50.78 1pgu n ASN 380 Cb 0.50 -0.50 0.46 0.00 -2.36 0.00 0.00 39.78 37.88 1pgu n ASN 380 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1pgu h SER 381 N 0.95 0.00 -3.26 0.53 4.64 -1.89 -3.43 113.55 111.10 1pgu h SER 381 Ca -0.02 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 1pgu h SER 381 Cb 1.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 1pgu h SER 381 CO 0.01 0.28 -0.06 -0.75 -0.87 0.00 0.00 176.83 175.44 1pgu s LYS 382 N -4.19 4.26 -0.06 4.77 2.20 -1.26 -4.99 119.74 120.47 1pgu s LYS 382 Ca -0.03 0.64 -0.36 0.00 -0.36 0.00 0.00 55.97 55.86 1pgu s LYS 382 Cb 0.14 -3.33 -0.14 0.00 -1.51 0.00 0.00 37.83 32.98 1pgu s LYS 382 CO 0.68 0.39 1.67 0.00 -0.36 0.00 0.00 175.35 177.74 1pgu n ALA 383 N 2.70 0.28 -2.79 3.13 0.00 -1.26 -1.93 120.51 120.63 1pgu n ALA 383 Ca -0.08 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 1pgu n ALA 383 Cb 0.51 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.67 1pgu n ALA 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pgu n GLN 384 N 4.81 -3.29 -3.73 0.00 6.02 -1.26 -4.97 117.38 114.96 1pgu n GLN 384 Ca 0.22 0.82 -0.11 0.00 -0.01 0.00 0.00 57.00 57.92 1pgu n GLN 384 Cb 0.22 -5.56 -0.06 0.00 1.02 0.00 0.00 30.24 25.86 1pgu n GLN 384 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pgu s GLU 385 N -5.44 0.90 -0.03 -1.09 2.02 -0.81 -5.09 118.70 109.16 1pgu s GLU 385 Ca 0.18 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 1pgu s GLU 385 Cb -0.08 0.39 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1pgu s GLU 385 CO 0.22 -0.31 0.15 1.52 0.02 0.00 0.00 175.26 176.85 1pgu s TYR 386 N -3.13 -0.07 -0.13 1.61 -0.85 -1.26 -4.35 117.35 109.16 1pgu s TYR 386 Ca -0.01 0.17 -0.01 0.00 -0.52 0.00 0.00 57.07 56.71 1pgu s TYR 386 Cb 0.01 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1pgu s TYR 386 CO -0.07 -0.17 -0.12 0.45 -1.52 0.00 0.00 175.55 174.12 1pgu s SER 387 N -0.56 4.11 0.03 -0.18 0.15 0.92 -1.36 113.70 116.82 1pgu s SER 387 Ca -0.06 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.35 1pgu s SER 387 Cb -0.04 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1pgu s SER 387 CO 0.01 0.17 -0.19 -0.94 1.20 0.00 0.00 173.24 173.48 1pgu s SER 388 N 0.34 2.28 -0.03 5.45 1.04 0.26 -0.51 113.70 122.53 1pgu s SER 388 Ca -0.10 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 55.93 1pgu s SER 388 Cb -0.16 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 1pgu s SER 388 CO 0.05 0.16 -0.23 -0.63 0.98 0.00 0.00 173.24 173.57 1pgu s ILE 389 N -0.72 1.82 0.13 -1.02 1.01 -0.98 -0.07 121.20 121.37 1pgu s ILE 389 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1pgu s ILE 389 Cb -0.08 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pgu s ILE 389 CO 0.01 0.51 -0.01 -0.55 0.00 0.00 0.00 174.94 174.90 1pgu s SER 390 N -0.43 0.99 0.00 3.58 0.15 -0.55 -0.51 113.70 116.93 1pgu s SER 390 Ca 0.06 -1.12 0.20 0.00 0.70 0.00 0.00 55.95 55.80 1pgu s SER 390 Cb -0.10 0.15 1.15 0.00 -1.71 0.00 0.00 66.02 65.50 1pgu s SER 390 CO 0.00 -0.57 1.62 0.79 1.20 0.00 0.00 173.24 176.29 1pgu n TRP 391 N -0.13 0.00 1.63 3.44 7.02 -0.19 -1.73 117.44 127.48 1pgu n TRP 391 Ca -0.09 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.43 1pgu n TRP 391 Cb 0.62 -0.12 0.16 0.00 -2.42 0.00 0.00 31.31 29.56 1pgu n TRP 391 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1pgu n ASP 392 N -1.12 0.65 -1.30 -0.99 5.68 -1.26 -4.88 116.55 113.34 1pgu n ASP 392 Ca 0.13 -1.89 -0.10 0.00 -0.50 0.00 0.00 54.79 52.44 1pgu n ASP 392 Cb 0.11 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.02 1pgu n ASP 392 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1pgu n ASP 393 N -0.19 -3.41 -4.08 -1.12 8.00 -0.70 -5.00 116.55 110.04 1pgu n ASP 393 Ca 0.07 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 1pgu n ASP 393 Cb 0.12 -2.48 -0.11 0.00 -0.02 0.00 0.00 41.12 38.63 1pgu n ASP 393 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1pgu s THR 394 N -2.66 0.39 -0.16 -3.53 -4.23 -1.23 -1.25 115.64 102.97 1pgu s THR 394 Ca 0.08 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1pgu s THR 394 Cb -0.03 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1pgu s THR 394 CO 0.09 -0.70 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.08 1pgu s LEU 395 N -2.28 2.36 0.18 4.79 0.20 -0.32 -1.48 118.68 122.12 1pgu s LEU 395 Ca -0.01 -0.53 0.10 0.00 0.69 0.00 0.00 54.13 54.38 1pgu s LEU 395 Cb -0.01 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 1pgu s LEU 395 CO -0.04 0.06 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.35 1pgu s LYS 396 N 0.97 1.72 -0.17 1.98 1.02 0.90 -0.10 119.74 126.07 1pgu s LYS 396 Ca -0.03 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1pgu s LYS 396 Cb -0.15 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1pgu s LYS 396 CO -0.03 0.42 -0.10 0.08 -0.92 0.00 0.00 175.35 174.80 1pgu s VAL 397 N -1.59 1.47 -1.46 3.17 1.01 -0.05 -0.58 120.40 122.37 1pgu s VAL 397 Ca 0.21 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1pgu s VAL 397 Cb -0.09 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1pgu s VAL 397 CO 0.11 0.26 0.79 0.59 0.00 0.00 0.00 175.10 176.85 1pgu n ASN 398 N 4.77 -2.86 -0.09 3.32 3.02 -0.47 -1.79 115.26 121.16 1pgu n ASN 398 Ca -0.15 -0.85 -0.01 0.00 -0.03 0.00 0.00 54.58 53.54 1pgu n ASN 398 Cb 0.48 -3.70 -0.01 0.00 -0.61 0.00 0.00 39.78 35.94 1pgu n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pgu n GLY 399 N -1.67 0.45 3.23 7.41 0.00 -1.26 -5.02 105.19 108.33 1pgu n GLY 399 Ca -0.11 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1pgu n GLY 399 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgu s ILE 400 N -1.82 2.33 0.18 -0.61 1.01 -0.74 -4.96 121.20 116.59 1pgu s ILE 400 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.43 1pgu s ILE 400 Cb 0.00 -1.94 -0.12 0.00 0.01 0.00 0.00 42.46 40.41 1pgu s ILE 400 CO 0.00 0.54 1.72 0.41 0.00 0.00 0.00 174.94 177.61 1pgu n THR 401 N 3.85 0.08 -0.00 2.92 -1.04 -1.26 -0.87 114.28 117.95 1pgu n THR 401 Ca -0.19 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1pgu n THR 401 Cb 0.52 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1pgu n THR 401 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1pgu n LYS 402 N 4.22 5.85 -3.63 -2.82 4.76 0.86 -4.90 118.16 122.50 1pgu n LYS 402 Ca 0.17 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 1pgu n LYS 402 Cb 0.34 -0.44 -0.07 0.00 -1.84 0.00 0.00 35.03 33.02 1pgu n LYS 402 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1pgu s HIS 403 N -0.84 -0.75 -0.20 2.13 2.46 -1.09 -4.46 115.29 112.55 1pgu s HIS 403 Ca 0.00 1.81 0.00 0.00 0.47 0.00 0.00 55.06 57.34 1pgu s HIS 403 Cb 0.00 0.27 0.02 0.00 -0.13 0.00 0.00 32.58 32.74 1pgu s HIS 403 CO 0.00 -0.38 -0.16 -1.21 -2.47 0.00 0.00 174.74 170.52 1pgu s GLU 404 N 0.26 3.00 0.22 2.88 2.02 -1.26 -1.18 118.70 124.64 1pgu s GLU 404 Ca -0.01 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 1pgu s GLU 404 Cb -0.05 -2.70 -0.08 0.00 0.10 0.00 0.00 34.13 31.40 1pgu s GLU 404 CO 0.02 -0.25 1.05 -0.06 0.02 0.00 0.00 175.26 176.04 1pgu s PHE 405 N 1.31 3.71 -0.48 1.61 0.40 -0.38 -4.93 117.98 119.22 1pgu s PHE 405 Ca 0.04 1.73 0.24 0.00 -0.60 0.00 0.00 56.93 58.34 1pgu s PHE 405 Cb -0.14 -3.18 0.48 0.00 0.51 0.00 0.00 43.02 40.69 1pgu s PHE 405 CO -0.10 -0.25 1.66 0.78 0.70 0.00 0.00 175.22 178.01 1pgu h GLY 406 N 4.53 0.00 -5.77 4.36 0.00 -1.99 -3.44 103.07 100.76 1pgu h GLY 406 Ca -0.45 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.57 1pgu h GLY 406 CO 0.70 0.00 -0.74 -0.45 0.00 0.00 0.00 176.54 176.04 1pgu s SER 407 N -5.83 0.37 0.14 0.19 0.15 -1.26 -5.07 113.70 102.38 1pgu s SER 407 Ca 0.07 -0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.35 1pgu s SER 407 Cb 0.07 -0.10 -0.13 0.00 -1.71 0.00 0.00 66.02 64.15 1pgu s SER 407 CO 0.65 -0.01 1.68 1.67 1.20 0.00 0.00 173.24 178.43 1pgu n GLN 408 N 3.39 2.37 -2.33 5.44 7.27 -1.26 -4.55 117.38 127.71 1pgu n GLN 408 Ca -0.17 0.86 -0.43 0.00 0.07 0.00 0.00 57.00 57.33 1pgu n GLN 408 Cb 0.56 -2.67 -0.02 0.00 2.41 0.00 0.00 30.24 30.52 1pgu n GLN 408 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1pgu s PRO 409 N 1.59 4.23 -0.14 3.69 0.04 -1.26 -0.42 135.00 142.73 1pgu s PRO 409 Ca 0.80 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 63.35 1pgu s PRO 409 Cb -0.62 -3.78 -0.26 0.00 0.04 0.00 0.00 34.50 29.88 1pgu s PRO 409 CO 0.38 -0.71 0.75 0.87 0.04 0.00 0.00 177.00 178.34 1pgu h LYS 410 N 8.40 0.02 -3.60 4.56 1.57 -0.91 -3.44 116.57 123.18 1pgu h LYS 410 Ca -0.30 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1pgu h LYS 410 Cb 1.13 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 1pgu h LYS 410 CO 0.96 1.02 -0.32 0.14 -0.57 0.00 0.00 179.45 180.68 1pgu s VAL 411 N -2.24 0.11 0.07 0.50 -7.23 -1.22 -5.00 120.40 105.39 1pgu s VAL 411 Ca -0.19 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 1pgu s VAL 411 Cb -0.02 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1pgu s VAL 411 CO 0.70 -0.52 0.29 0.00 -0.31 0.00 0.00 175.10 175.26 1pgu s ALA 412 N -3.27 -0.61 -0.14 1.32 0.00 -1.26 -1.83 121.76 115.98 1pgu s ALA 412 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1pgu s ALA 412 Cb 0.02 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.62 1pgu s ALA 412 CO -0.08 -0.48 0.34 0.45 0.00 0.00 0.00 175.76 176.00 1pgu s SER 413 N -2.39 -0.41 0.19 0.00 0.15 -0.61 -4.81 113.70 105.82 1pgu s SER 413 Ca -0.01 0.74 0.09 0.00 0.70 0.00 0.00 55.95 57.47 1pgu s SER 413 Cb 0.01 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1pgu s SER 413 CO -0.07 -0.18 -0.08 0.00 1.20 0.00 0.00 173.24 174.11 1pgu s ALA 414 N 1.31 2.97 0.00 5.45 0.00 -1.26 -0.72 121.76 129.51 1pgu s ALA 414 Ca -0.09 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1pgu s ALA 414 Cb -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1pgu s ALA 414 CO -0.11 0.45 0.00 0.27 0.00 0.00 0.00 175.76 176.37 1pgu n ASN 415 N -0.05 0.16 -0.76 0.00 0.23 -0.91 -4.79 115.26 109.14 1pgu n ASN 415 Ca -0.10 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.05 1pgu n ASN 415 Cb 0.56 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.32 1pgu n ASN 415 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pgu n ASN 416 N 0.00 2.57 -1.41 0.53 3.02 -1.26 -4.40 115.26 114.31 1pgu n ASN 416 Ca 0.00 -1.78 0.10 0.00 -0.03 0.00 0.00 54.58 52.87 1pgu n ASN 416 Cb 0.00 0.12 0.33 0.00 -0.61 0.00 0.00 39.78 39.61 1pgu n ASN 416 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1pgu n ASP 417 N 0.90 4.13 0.00 6.41 10.43 -1.26 -4.94 116.55 132.22 1pgu n ASP 417 Ca 0.11 -2.17 0.00 0.00 2.57 0.00 0.00 54.79 55.30 1pgu n ASP 417 Cb 0.51 -0.51 0.00 0.00 1.84 0.00 0.00 41.12 42.95 1pgu n ASP 417 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pgu n GLY 418 N 1.42 0.78 3.34 0.44 0.00 -1.26 -5.03 105.19 104.88 1pgu n GLY 418 Ca 0.24 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1pgu n GLY 418 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgu s PHE 419 N -2.00 1.76 -0.05 1.61 0.40 -1.26 -1.24 117.98 117.20 1pgu s PHE 419 Ca 0.00 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1pgu s PHE 419 Cb 0.00 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.71 1pgu s PHE 419 CO 0.00 0.34 0.12 0.99 0.70 0.00 0.00 175.22 177.37 1pgu s THR 420 N -2.43 -0.03 -0.21 0.64 2.01 -0.03 -2.15 115.64 113.44 1pgu s THR 420 Ca 0.18 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 1pgu s THR 420 Cb -0.04 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1pgu s THR 420 CO 0.07 0.05 0.12 0.00 -0.69 0.00 0.00 174.62 174.17 1pgu s ALA 421 N 0.78 3.54 -0.03 7.40 0.00 0.11 -0.95 121.76 132.60 1pgu s ALA 421 Ca -0.06 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1pgu s ALA 421 Cb -0.08 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1pgu s ALA 421 CO -0.04 -0.02 -0.23 0.08 0.00 0.00 0.00 175.76 175.55 1pgu s VAL 422 N 0.74 1.84 -0.19 0.00 1.01 -0.08 -1.57 120.40 122.15 1pgu s VAL 422 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1pgu s VAL 422 Cb -0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1pgu s VAL 422 CO 0.02 0.52 -0.02 -0.76 0.00 0.00 0.00 175.10 174.85 1pgu s LEU 423 N -0.33 3.14 0.56 3.92 1.43 -0.76 -0.36 118.68 126.28 1pgu s LEU 423 Ca 0.03 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1pgu s LEU 423 Cb -0.11 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1pgu s LEU 423 CO 0.01 0.07 0.77 0.42 0.23 0.00 0.00 176.35 177.85 1pgu s THR 424 N 0.95 2.41 -0.54 5.49 -4.23 -0.59 -0.27 115.64 118.86 1pgu s THR 424 Ca 0.00 -0.89 0.23 0.00 -1.18 0.00 0.00 61.69 59.86 1pgu s THR 424 Cb -0.14 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.42 1pgu s THR 424 CO 0.01 0.00 1.70 -3.20 -0.54 0.00 0.00 174.62 172.60 1pgu n ASN 425 N -2.26 0.64 -1.61 3.99 5.15 0.44 -2.13 115.26 119.47 1pgu n ASN 425 Ca 0.13 0.65 0.09 0.00 -0.60 0.00 0.00 54.58 54.84 1pgu n ASN 425 Cb 0.61 -0.78 0.36 0.00 -0.53 0.00 0.00 39.78 39.43 1pgu n ASN 425 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1pgu n ASP 426 N -2.19 4.95 -1.53 1.20 10.43 -1.26 -4.94 116.55 123.20 1pgu n ASP 426 Ca 0.03 -2.60 -0.12 0.00 2.57 0.00 0.00 54.79 54.66 1pgu n ASP 426 Cb 0.25 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.61 1pgu n ASP 426 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1pgu n ASP 427 N 0.88 -3.97 -4.88 -2.24 8.00 -0.91 -4.91 116.55 108.52 1pgu n ASP 427 Ca 0.26 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.39 1pgu n ASP 427 Cb 0.97 -3.07 -0.05 0.00 -0.02 0.00 0.00 41.12 38.95 1pgu n ASP 427 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1pgu s ASP 428 N -2.58 6.15 -0.27 -2.24 1.01 -1.26 -0.61 116.67 116.87 1pgu s ASP 428 Ca 0.06 0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.46 1pgu s ASP 428 Cb -0.03 -1.84 0.01 0.00 1.01 0.00 0.00 42.92 42.07 1pgu s ASP 428 CO 0.07 0.17 0.03 -0.22 0.21 0.00 0.00 175.17 175.43 1pgu s LEU 429 N -2.50 3.49 -0.04 1.23 0.20 0.32 -1.54 118.68 119.85 1pgu s LEU 429 Ca 0.34 -0.63 0.04 0.00 0.69 0.00 0.00 54.13 54.57 1pgu s LEU 429 Cb -0.13 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 1pgu s LEU 429 CO 0.26 -0.13 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.29 1pgu s LEU 430 N 1.47 2.74 -0.28 -0.68 1.43 0.51 -1.55 118.68 122.33 1pgu s LEU 430 Ca 0.03 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1pgu s LEU 430 Cb -0.16 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1pgu s LEU 430 CO 0.00 0.33 0.02 -0.63 0.23 0.00 0.00 176.35 176.30 1pgu s ILE 431 N -0.77 3.44 0.15 -0.59 -1.09 0.49 -0.90 121.20 121.94 1pgu s ILE 431 Ca 0.12 -0.89 0.09 0.00 -2.23 0.00 0.00 60.65 57.74 1pgu s ILE 431 Cb -0.11 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1pgu s ILE 431 CO 0.01 0.11 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.92 1pgu s LEU 432 N 1.41 2.77 -0.53 2.97 1.02 -0.13 -1.11 118.68 125.08 1pgu s LEU 432 Ca 0.01 -0.62 -0.27 0.00 0.02 0.00 0.00 54.13 53.28 1pgu s LEU 432 Cb -0.17 -1.53 0.03 0.00 0.02 0.00 0.00 46.19 44.54 1pgu s LEU 432 CO -0.01 0.14 1.05 -1.10 0.02 0.00 0.00 176.35 176.46 1pgu s GLN 433 N -2.51 3.51 0.42 1.70 -0.21 -0.57 -0.85 119.66 121.15 1pgu s GLN 433 Ca 0.21 0.16 0.28 0.00 0.02 0.00 0.00 55.36 56.03 1pgu s GLN 433 Cb -0.09 -3.98 1.42 0.00 1.00 0.00 0.00 33.01 31.35 1pgu s GLN 433 CO 0.12 -1.47 1.60 0.77 -2.12 0.00 0.00 175.29 174.19 1pgu h SER 434 N 9.32 0.26 -0.54 5.90 0.02 -1.45 -0.69 113.55 126.35 1pgu h SER 434 Ca -0.25 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1pgu h SER 434 Cb 1.07 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1pgu h SER 434 CO 1.11 -0.27 0.00 0.49 -1.14 0.00 0.00 176.83 177.03 1pgu n PHE 435 N -4.85 0.93 0.00 3.45 3.01 -1.26 -4.41 117.46 114.33 1pgu n PHE 435 Ca 0.38 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1pgu n PHE 435 Cb 1.43 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.80 1pgu n PHE 435 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1pgu n THR 436 N 0.95 0.00 -0.64 4.37 -2.24 -0.67 -5.02 114.28 111.03 1pgu n THR 436 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1pgu n THR 436 Cb 0.65 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1pgu n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgu n GLY 437 N 1.95 0.81 3.75 3.38 0.00 -0.36 -4.73 105.19 109.99 1pgu n GLY 437 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pgu n GLY 437 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgu s ASP 438 N -2.92 7.31 -0.34 1.61 1.01 -1.26 -4.60 116.67 117.49 1pgu s ASP 438 Ca 0.00 2.16 -0.20 0.00 0.71 0.00 0.00 52.55 55.22 1pgu s ASP 438 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 1pgu s ASP 438 CO 0.00 -0.14 0.63 -0.63 0.21 0.00 0.00 175.17 175.25 1pgu s ILE 439 N -0.80 4.91 -1.22 0.77 1.01 -1.26 -1.52 121.20 123.09 1pgu s ILE 439 Ca 0.46 0.67 0.22 0.00 0.00 0.00 0.00 60.65 62.00 1pgu s ILE 439 Cb -0.30 -4.05 -0.14 0.00 0.01 0.00 0.00 42.46 37.98 1pgu s ILE 439 CO 0.38 -0.25 1.03 2.30 0.00 0.00 0.00 174.94 178.39 1pgu n ILE 440 N 5.52 0.00 -3.63 2.92 -5.35 -0.27 -5.00 119.36 113.55 1pgu n ILE 440 Ca -0.01 -0.05 -0.04 0.00 -0.27 0.00 0.00 62.75 62.38 1pgu n ILE 440 Cb 0.49 0.92 -0.04 0.00 -1.74 0.00 0.00 39.64 39.26 1pgu n ILE 440 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1pgu s LYS 441 N -2.89 0.16 0.29 6.28 -2.85 -1.21 -5.02 119.74 114.50 1pgu s LYS 441 Ca 0.11 0.04 -0.16 0.00 -1.00 0.00 0.00 55.97 54.96 1pgu s LYS 441 Cb 0.17 0.07 0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1pgu s LYS 441 CO 0.78 -0.05 0.63 -1.54 0.10 0.00 0.00 175.35 175.27 1pgu s SER 442 N -1.00 -0.08 -0.28 0.03 1.04 -1.26 -0.38 113.70 111.77 1pgu s SER 442 Ca 0.07 -0.86 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 1pgu s SER 442 Cb -0.01 0.69 0.11 0.00 0.10 0.00 0.00 66.02 66.91 1pgu s SER 442 CO -0.06 -1.32 0.93 0.54 0.98 0.00 0.00 173.24 174.30 1pgu s VAL 443 N -3.66 0.00 -0.22 5.02 0.11 -0.60 -4.98 120.40 116.07 1pgu s VAL 443 Ca 0.17 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 1pgu s VAL 443 Cb -0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1pgu s VAL 443 CO 0.09 0.00 1.00 -0.60 -3.33 0.00 0.00 175.10 172.26 1pgu s ARG 444 N 0.50 4.26 0.59 1.54 6.06 -1.26 -0.52 118.95 130.11 1pgu s ARG 444 Ca 0.00 1.29 -0.16 0.00 -2.50 0.00 0.00 55.73 54.36 1pgu s ARG 444 Cb -0.05 -3.63 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 1pgu s ARG 444 CO -0.07 -0.58 1.07 -0.51 -2.50 0.00 0.00 175.30 172.71 1pgu s LEU 445 N 3.03 3.53 0.00 -0.88 1.43 0.22 -4.91 118.68 121.10 1pgu s LEU 445 Ca 0.43 1.88 0.27 0.00 -1.03 0.00 0.00 54.13 55.67 1pgu s LEU 445 Cb -0.15 -4.54 1.58 0.00 0.03 0.00 0.00 46.19 43.11 1pgu s LEU 445 CO 0.07 -1.20 1.94 0.59 0.23 0.00 0.00 176.35 177.98 1pgu n ASN 446 N -1.94 0.00 -3.56 2.29 5.03 -1.26 -4.82 115.26 111.00 1pgu n ASN 446 Ca 0.09 -0.86 -0.09 0.00 0.87 0.00 0.00 54.58 54.59 1pgu n ASN 446 Cb 0.53 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.27 1pgu n ASN 446 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pgu s SER 447 N -1.99 -0.41 0.41 6.41 0.15 -1.26 -5.05 113.70 111.97 1pgu s SER 447 Ca 0.40 -0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.64 1pgu s SER 447 Cb 0.18 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.95 1pgu s SER 447 CO 0.31 -0.92 1.32 -2.84 1.20 0.00 0.00 173.24 172.30 1pgu s PRO 448 N -3.53 3.95 -0.09 5.44 0.02 -1.26 -4.82 135.00 134.71 1pgu s PRO 448 Ca 0.05 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.23 1pgu s PRO 448 Cb -0.02 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 1pgu s PRO 448 CO -0.07 -0.52 0.05 0.20 -0.33 0.00 0.00 177.00 176.34 1pgu s GLY 449 N -0.70 1.96 0.00 0.52 0.00 -1.26 -0.61 107.32 107.23 1pgu s GLY 449 Ca 0.57 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1pgu s GLY 449 CO 0.50 -0.53 0.66 -1.14 0.00 0.00 0.00 173.10 172.59 1pgu n SER 450 N 2.01 1.40 -3.61 1.64 3.41 -0.29 -4.91 113.62 113.27 1pgu n SER 450 Ca -0.19 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.07 1pgu n SER 450 Cb 0.54 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1pgu n SER 450 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pgu s ALA 451 N -0.37 -1.90 0.06 7.33 0.00 -1.25 -4.63 121.76 121.00 1pgu s ALA 451 Ca 0.04 1.81 0.02 0.00 0.00 0.00 0.00 51.96 53.83 1pgu s ALA 451 Cb 0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1pgu s ALA 451 CO 0.04 -0.28 -0.08 0.08 0.00 0.00 0.00 175.76 175.52 1pgu s VAL 452 N -0.11 0.62 -0.13 0.00 1.01 -1.26 -0.94 120.40 119.59 1pgu s VAL 452 Ca 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1pgu s VAL 452 Cb -0.04 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.51 1pgu s VAL 452 CO -0.02 -0.49 0.28 -0.55 0.00 0.00 0.00 175.10 174.33 1pgu s SER 453 N -1.94 0.16 -0.13 3.32 0.15 -0.12 -4.58 113.70 110.57 1pgu s SER 453 Ca -0.04 0.63 -0.01 0.00 0.70 0.00 0.00 55.95 57.23 1pgu s SER 453 Cb -0.06 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1pgu s SER 453 CO -0.01 -0.23 -0.11 -0.22 1.20 0.00 0.00 173.24 173.88 1pgu s LEU 454 N 2.22 2.84 0.00 3.45 2.96 -1.26 0.50 118.68 129.39 1pgu s LEU 454 Ca -0.01 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1pgu s LEU 454 Cb -0.12 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1pgu s LEU 454 CO -0.09 0.17 0.00 -1.54 -1.32 0.00 0.00 176.35 173.57 1pgu n SER 455 N 3.49 1.70 -0.37 3.68 3.41 0.14 -4.39 113.62 121.28 1pgu n SER 455 Ca -0.18 -0.81 -0.01 0.00 -0.26 0.00 0.00 58.87 57.61 1pgu n SER 455 Cb 0.53 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1pgu n SER 455 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1pgu h GLN 456 N 0.00 1.27 0.00 4.33 4.15 -1.94 -3.35 115.11 119.57 1pgu h GLN 456 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1pgu h GLN 456 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.40 1pgu h GLN 456 CO 0.00 0.84 0.00 0.09 -1.93 0.00 0.00 178.83 177.83 1pgu n ASN 457 N -4.41 0.06 -4.25 -0.69 4.13 -1.26 -4.95 115.26 103.89 1pgu n ASN 457 Ca 0.12 -0.47 -0.17 0.00 1.68 0.00 0.00 54.58 55.75 1pgu n ASN 457 Cb 0.05 0.81 -0.11 0.00 -1.54 0.00 0.00 39.78 38.99 1pgu n ASN 457 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1pgu s TYR 458 N -0.81 1.38 -0.22 3.10 1.51 -1.26 -0.42 117.35 120.63 1pgu s TYR 458 Ca 0.00 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1pgu s TYR 458 Cb 0.00 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1pgu s TYR 458 CO 0.00 0.14 -0.14 0.08 -1.11 0.00 0.00 175.55 174.53 1pgu s VAL 459 N -2.62 2.02 -0.22 0.71 1.01 -0.58 -0.69 120.40 120.03 1pgu s VAL 459 Ca 0.13 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 1pgu s VAL 459 Cb -0.02 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1pgu s VAL 459 CO 0.03 0.19 0.29 0.00 0.00 0.00 0.00 175.10 175.60 1pgu s ALA 460 N 1.22 3.58 -0.09 5.51 0.00 0.18 -0.72 121.76 131.45 1pgu s ALA 460 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1pgu s ALA 460 Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1pgu s ALA 460 CO -0.08 -0.28 -0.14 0.08 0.00 0.00 0.00 175.76 175.34 1pgu s VAL 461 N 1.25 1.34 -0.26 0.00 1.01 0.27 -0.94 120.40 123.08 1pgu s VAL 461 Ca 0.14 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1pgu s VAL 461 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1pgu s VAL 461 CO 0.07 0.41 0.58 -0.83 0.00 0.00 0.00 175.10 175.32 1pgu s GLY 462 N 0.79 1.82 -0.12 4.51 0.00 -0.12 -0.58 107.32 113.62 1pgu s GLY 462 Ca -0.12 -0.53 -0.16 0.00 0.00 0.00 0.00 44.72 43.92 1pgu s GLY 462 CO 0.02 1.35 0.39 1.08 0.00 0.00 0.00 173.10 175.94 1pgu s LEU 463 N 2.42 4.29 0.36 0.66 1.43 -0.13 -1.14 118.68 126.57 1pgu s LEU 463 Ca 0.24 0.70 0.27 0.00 -1.03 0.00 0.00 54.13 54.31 1pgu s LEU 463 Cb -0.16 -2.54 1.19 0.00 0.03 0.00 0.00 46.19 44.72 1pgu s LEU 463 CO 0.09 0.09 1.81 -0.33 0.23 0.00 0.00 176.35 178.24 1pgu h GLU 464 N 6.43 0.00 -4.14 1.70 5.08 -1.18 -2.48 114.58 120.00 1pgu h GLU 464 Ca -0.43 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.18 1pgu h GLU 464 Cb 1.18 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.19 1pgu h GLU 464 CO 0.74 0.00 -0.25 -2.00 -1.00 0.00 0.00 179.01 176.50 1pgu s GLU 465 N -3.49 2.97 0.00 2.33 2.12 -1.26 -4.15 118.70 117.23 1pgu s GLU 465 Ca 0.02 -1.63 0.00 0.00 0.36 0.00 0.00 54.97 53.72 1pgu s GLU 465 Cb 0.09 -4.25 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1pgu s GLU 465 CO 0.40 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 1pgu n GLY 466 N 5.23 0.62 3.47 -1.50 0.00 -1.26 -4.40 105.19 107.34 1pgu n GLY 466 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1pgu n GLY 466 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pgu n ASN 467 N 0.00 -4.83 -4.94 1.61 3.02 -0.94 -4.54 115.26 104.64 1pgu n ASN 467 Ca 0.00 -0.50 -0.24 0.00 -0.03 0.00 0.00 54.58 53.81 1pgu n ASN 467 Cb 0.00 -3.91 0.02 0.00 -0.61 0.00 0.00 39.78 35.28 1pgu n ASN 467 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pgu s THR 468 N -3.13 3.86 -0.19 3.41 -4.23 -1.20 -0.62 115.64 113.55 1pgu s THR 468 Ca 0.47 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1pgu s THR 468 Cb -0.24 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1pgu s THR 468 CO 0.58 -0.37 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.58 1pgu s ILE 469 N -2.69 3.22 -0.18 2.99 -1.09 -1.26 -0.96 121.20 121.23 1pgu s ILE 469 Ca 0.50 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 1pgu s ILE 469 Cb -0.10 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1pgu s ILE 469 CO 0.40 0.47 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.94 1pgu s GLN 470 N 1.05 3.49 -0.32 2.79 0.74 0.25 -1.85 119.66 125.81 1pgu s GLN 470 Ca 0.00 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.78 1pgu s GLN 470 Cb -0.15 -2.91 0.05 0.00 1.10 0.00 0.00 33.01 31.10 1pgu s GLN 470 CO -0.01 0.04 0.06 0.08 -0.55 0.00 0.00 175.29 174.91 1pgu s VAL 471 N 0.87 3.34 0.44 1.34 1.01 -0.28 -0.56 120.40 126.55 1pgu s VAL 471 Ca -0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 1pgu s VAL 471 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1pgu s VAL 471 CO 0.01 -0.18 0.76 -0.36 0.00 0.00 0.00 175.10 175.33 1pgu s PHE 472 N 1.31 3.53 -0.24 5.22 0.40 0.10 -2.19 117.98 126.11 1pgu s PHE 472 Ca -0.03 0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 57.01 1pgu s PHE 472 Cb -0.20 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1pgu s PHE 472 CO 0.00 -0.19 0.46 0.21 0.70 0.00 0.00 175.22 176.40 1pgu s LYS 473 N -4.36 4.10 0.23 0.44 2.20 -0.63 -1.53 119.74 120.19 1pgu s LYS 473 Ca 0.48 0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 56.25 1pgu s LYS 473 Cb -0.10 -3.61 0.36 0.00 -1.51 0.00 0.00 37.83 32.97 1pgu s LYS 473 CO 0.39 -0.23 1.66 1.25 -0.36 0.00 0.00 175.35 178.07 1pgu h LEU 474 N 8.34 -0.23 -1.39 5.43 6.46 -1.06 -0.61 115.31 132.25 1pgu h LEU 474 Ca -0.32 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1pgu h LEU 474 Cb 1.15 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1pgu h LEU 474 CO 0.70 -0.11 0.00 0.77 -0.62 0.00 0.00 178.44 179.18 1pgu h SER 475 N 0.15 0.00 -1.24 1.25 4.64 -1.93 -3.38 113.55 113.04 1pgu h SER 475 Ca 0.36 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1pgu h SER 475 Cb 0.61 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.47 1pgu h SER 475 CO -0.55 0.00 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.30 1pgu s ASP 476 N -4.48 -0.90 0.14 4.97 -1.08 -0.24 -5.00 116.67 110.08 1pgu s ASP 476 Ca 0.00 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.44 1pgu s ASP 476 Cb 0.09 1.65 0.43 0.00 -1.46 0.00 0.00 42.92 43.63 1pgu s ASP 476 CO 0.34 -0.23 1.18 0.18 0.52 0.00 0.00 175.17 177.16 1pgu n LEU 477 N 4.70 0.21 0.06 -1.34 4.77 -1.20 -0.63 117.00 123.57 1pgu n LEU 477 Ca 0.09 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1pgu n LEU 477 Cb 0.54 -0.54 0.50 0.00 -2.33 0.00 0.00 43.42 41.58 1pgu n LEU 477 CO 0.00 -0.60 0.92 -0.62 -1.33 0.00 0.00 177.39 175.76 1pgu n GLU 478 N -1.75 0.14 -3.76 3.23 1.02 -1.26 -4.65 120.64 113.62 1pgu n GLU 478 Ca -0.01 0.12 -0.37 0.00 -0.02 0.00 0.00 57.16 56.89 1pgu n GLU 478 Cb 0.11 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 29.74 1pgu n GLU 478 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pgu s VAL 479 N -3.06 4.52 0.14 2.62 1.01 0.20 -5.07 120.40 120.75 1pgu s VAL 479 Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1pgu s VAL 479 Cb 0.15 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1pgu s VAL 479 CO 0.56 0.34 0.46 -0.94 0.00 0.00 0.00 175.10 175.52 1pgu s SER 480 N 1.52 -0.31 0.02 3.32 1.04 -1.26 -1.61 113.70 116.42 1pgu s SER 480 Ca 0.06 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 1pgu s SER 480 Cb -0.15 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1pgu s SER 480 CO 0.05 -0.91 0.16 0.72 0.98 0.00 0.00 173.24 174.23 1pgu s PHE 481 N -3.80 0.07 0.05 5.02 -0.12 -0.93 -4.97 117.98 113.29 1pgu s PHE 481 Ca 0.04 -0.23 -0.07 0.00 -0.05 0.00 0.00 56.93 56.61 1pgu s PHE 481 Cb 0.01 -0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1pgu s PHE 481 CO -0.11 -0.36 0.32 -0.51 -0.05 0.00 0.00 175.22 174.52 1pgu s ASP 482 N -1.76 6.53 0.13 1.98 1.01 -1.26 -1.13 116.67 122.16 1pgu s ASP 482 Ca -0.10 0.61 -0.30 0.00 0.71 0.00 0.00 52.55 53.48 1pgu s ASP 482 Cb -0.04 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.72 1pgu s ASP 482 CO -0.01 0.19 1.05 -0.76 0.21 0.00 0.00 175.17 175.85 1pgu s LEU 483 N -1.98 4.48 0.30 1.23 1.43 -0.77 -4.93 118.68 118.43 1pgu s LEU 483 Ca 0.32 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 1pgu s LEU 483 Cb -0.13 -3.59 0.80 0.00 0.03 0.00 0.00 46.19 43.29 1pgu s LEU 483 CO 0.19 -0.18 1.66 0.11 0.23 0.00 0.00 176.35 178.35 1pgu h LYS 484 N 5.53 0.25 -5.32 1.70 1.57 -1.64 -3.40 116.57 115.26 1pgu h LYS 484 Ca -0.43 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.70 1pgu h LYS 484 Cb 1.21 -0.06 -0.19 0.00 0.08 0.00 0.00 32.23 33.28 1pgu h LYS 484 CO 0.73 0.17 -0.62 0.99 -0.57 0.00 0.00 179.45 180.15 1pgu s THR 485 N -5.87 4.29 0.68 -0.16 2.01 -1.26 -5.11 115.64 110.23 1pgu s THR 485 Ca -0.12 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 1pgu s THR 485 Cb 0.27 -2.90 0.04 0.00 0.01 0.00 0.00 72.50 69.92 1pgu s THR 485 CO 0.78 0.49 1.02 -2.16 -0.69 0.00 0.00 174.62 174.06 1pgu s PRO 486 N 0.30 2.55 0.76 4.92 0.04 -1.26 -4.77 135.00 137.54 1pgu s PRO 486 Ca -0.00 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.98 1pgu s PRO 486 Cb -0.13 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1pgu s PRO 486 CO 0.02 -1.07 1.14 -0.51 0.04 0.00 0.00 177.00 176.61 1pgu s LEU 487 N -5.24 2.67 0.29 -3.56 1.43 0.21 -4.97 118.68 109.51 1pgu s LEU 487 Ca 0.58 0.87 0.15 0.00 -1.03 0.00 0.00 54.13 54.70 1pgu s LEU 487 Cb -0.11 -3.48 0.29 0.00 0.03 0.00 0.00 46.19 42.92 1pgu s LEU 487 CO 0.47 -1.68 1.55 -0.09 0.23 0.00 0.00 176.35 176.83 1pgu h ARG 488 N -0.88 0.00 0.00 1.70 9.65 -1.94 -3.45 114.38 119.46 1pgu h ARG 488 Ca -0.46 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.24 1pgu h ARG 488 Cb 1.30 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.84 1pgu h ARG 488 CO 0.65 0.55 -0.10 0.00 2.80 0.00 0.00 179.97 183.87 1pgu n ALA 489 N -2.29 -0.19 -1.61 2.80 0.00 -1.26 -5.06 120.51 112.90 1pgu n ALA 489 Ca 0.00 -1.03 -0.50 0.00 0.00 0.00 0.00 53.44 51.92 1pgu n ALA 489 Cb 0.67 0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.90 1pgu n ALA 489 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pgu n LYS 490 N -0.37 1.38 -2.15 0.00 4.81 -1.26 -4.69 118.16 115.88 1pgu n LYS 490 Ca 0.01 0.49 -0.41 0.00 -0.87 0.00 0.00 58.31 57.53 1pgu n LYS 490 Cb 0.37 -2.12 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 1pgu n LYS 490 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pgu s PRO 491 N 0.28 4.38 -0.01 1.64 0.02 -1.26 -1.29 135.00 138.76 1pgu s PRO 491 Ca 0.80 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.99 1pgu s PRO 491 Cb -0.86 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.54 1pgu s PRO 491 CO 0.47 -0.18 0.01 -1.13 -0.33 0.00 0.00 177.00 175.84 1pgu n SER 492 N 1.25 4.67 -3.63 2.53 3.41 -0.22 -4.51 113.62 117.11 1pgu n SER 492 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1pgu n SER 492 Cb 0.42 0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 64.98 1pgu n SER 492 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pgu s TYR 493 N -2.05 -0.87 0.01 7.33 5.04 -1.15 -4.83 117.35 120.83 1pgu s TYR 493 Ca -0.01 1.93 0.04 0.00 -2.44 0.00 0.00 57.07 56.59 1pgu s TYR 493 Cb 0.01 0.42 -0.01 0.00 0.35 0.00 0.00 41.96 42.72 1pgu s TYR 493 CO 0.06 -0.42 -0.12 0.42 -1.34 0.00 0.00 175.55 174.15 1pgu s ILE 494 N 0.88 0.92 -0.10 3.14 1.01 -1.26 -1.60 121.20 124.18 1pgu s ILE 494 Ca -0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1pgu s ILE 494 Cb -0.05 -0.79 0.05 0.00 0.01 0.00 0.00 42.46 41.68 1pgu s ILE 494 CO -0.08 0.15 0.16 -0.55 0.00 0.00 0.00 174.94 174.62 1pgu s SER 495 N -0.56 0.99 0.17 3.58 0.15 0.05 -4.44 113.70 113.64 1pgu s SER 495 Ca 0.03 0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.56 1pgu s SER 495 Cb -0.05 0.22 -0.07 0.00 -1.71 0.00 0.00 66.02 64.40 1pgu s SER 495 CO 0.00 -0.26 0.90 -0.63 1.20 0.00 0.00 173.24 174.45 1pgu s ILE 496 N 2.28 4.33 0.68 6.45 1.01 -1.26 -0.99 121.20 133.69 1pgu s ILE 496 Ca 0.04 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.49 1pgu s ILE 496 Cb -0.13 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1pgu s ILE 496 CO -0.07 0.43 0.98 -1.20 0.00 0.00 0.00 174.94 175.08 1pgu n SER 497 N 2.06 0.64 0.22 3.58 7.64 0.72 -4.83 113.62 123.65 1pgu n SER 497 Ca -0.01 0.72 0.15 0.00 1.01 0.00 0.00 58.87 60.74 1pgu n SER 497 Cb 0.48 -1.41 0.76 0.00 -1.01 0.00 0.00 64.21 63.04 1pgu n SER 497 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1pgu h PRO 498 N 0.03 0.00 -0.00 1.43 0.13 -1.95 0.16 132.00 131.79 1pgu h PRO 498 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pgu h PRO 498 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pgu h PRO 498 CO 0.48 0.00 -0.55 -1.13 -0.23 0.00 0.00 178.00 176.58 1pgu n SER 499 N -2.57 1.08 -0.24 1.44 3.41 -1.26 -4.97 113.62 110.51 1pgu n SER 499 Ca -0.01 -1.04 -0.03 0.00 -0.26 0.00 0.00 58.87 57.53 1pgu n SER 499 Cb 0.10 0.78 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1pgu n SER 499 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pgu n GLU 500 N -0.85 -0.41 -0.03 4.33 1.02 0.55 -4.92 120.64 120.33 1pgu n GLU 500 Ca 0.04 0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 57.48 1pgu n GLU 500 Cb 0.27 -4.04 -0.09 0.00 -0.02 0.00 0.00 31.44 27.57 1pgu n GLU 500 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pgu h THR 501 N 0.00 1.38 -1.69 2.62 2.02 -1.93 -3.42 112.91 111.87 1pgu h THR 501 Ca -0.06 -1.82 -0.63 0.00 0.77 0.00 0.00 66.41 64.66 1pgu h THR 501 Cb 0.30 2.23 -0.13 0.00 -1.74 0.00 0.00 68.15 68.81 1pgu h THR 501 CO 0.09 0.54 -0.61 -0.31 0.37 0.00 0.00 175.52 175.61 1pgu s TYR 502 N -3.66 2.51 -0.08 3.16 1.51 -1.26 -0.64 117.35 118.89 1pgu s TYR 502 Ca -0.13 -0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 55.26 1pgu s TYR 502 Cb 0.05 -1.73 0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1pgu s TYR 502 CO 0.82 0.47 0.05 0.42 -1.11 0.00 0.00 175.55 176.19 1pgu s ILE 503 N -2.70 0.09 -0.12 2.71 1.01 0.26 -0.20 121.20 122.24 1pgu s ILE 503 Ca 0.35 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 1pgu s ILE 503 Cb 0.09 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 1pgu s ILE 503 CO 0.18 0.09 0.25 0.00 0.00 0.00 0.00 174.94 175.46 1pgu s ALA 504 N 2.08 3.71 -0.09 9.38 0.00 -0.16 -0.66 121.76 136.02 1pgu s ALA 504 Ca 0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1pgu s ALA 504 Cb -0.13 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1pgu s ALA 504 CO -0.05 0.34 0.21 0.00 0.00 0.00 0.00 175.76 176.25 1pgu s ALA 505 N -0.31 -0.43 0.21 0.00 0.00 -0.78 -0.77 121.76 119.69 1pgu s ALA 505 Ca 0.16 0.85 0.11 0.00 0.00 0.00 0.00 51.96 53.09 1pgu s ALA 505 Cb -0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1pgu s ALA 505 CO 0.05 -0.25 -0.23 0.20 0.00 0.00 0.00 175.76 175.53 1pgu s GLY 506 N 1.41 1.74 0.53 0.00 0.00 -0.63 -0.79 107.32 109.59 1pgu s GLY 506 Ca -0.07 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.00 1pgu s GLY 506 CO -0.07 -1.73 0.25 0.51 0.00 0.00 0.00 173.10 172.06 1pgu s ASP 507 N -2.83 4.44 0.00 1.64 1.47 -0.15 -1.06 116.67 120.18 1pgu s ASP 507 Ca 0.22 -1.41 -0.02 0.00 1.18 0.00 0.00 52.55 52.52 1pgu s ASP 507 Cb -0.07 0.47 -0.11 0.00 -0.34 0.00 0.00 42.92 42.86 1pgu s ASP 507 CO 0.11 -1.01 1.93 1.33 0.68 0.00 0.00 175.17 178.21 1pgu n VAL 508 N -1.57 1.50 -0.97 2.11 0.24 -0.41 -2.66 118.33 116.58 1pgu n VAL 508 Ca -0.09 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1pgu n VAL 508 Cb 0.65 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1pgu n VAL 508 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pgu n GLY 510 N 2.48 -0.56 3.79 7.63 0.00 -1.03 -3.17 105.19 114.34 1pgu n GLY 510 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1pgu n GLY 510 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pgu s LYS 511 N -0.01 3.98 -0.04 1.61 2.20 -1.26 -0.77 119.74 125.44 1pgu s LYS 511 Ca 0.00 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.80 1pgu s LYS 511 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1pgu s LYS 511 CO 0.00 0.50 -0.14 0.42 -0.36 0.00 0.00 175.35 175.77 1pgu s ILE 512 N -0.34 1.20 0.01 5.43 1.01 -1.26 -0.98 121.20 126.28 1pgu s ILE 512 Ca 0.19 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1pgu s ILE 512 Cb -0.14 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1pgu s ILE 512 CO 0.07 0.36 -0.22 -0.76 0.00 0.00 0.00 174.94 174.39 1pgu s LEU 513 N 0.20 2.10 -0.24 2.97 1.43 0.03 -4.65 118.68 120.53 1pgu s LEU 513 Ca -0.06 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1pgu s LEU 513 Cb -0.12 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1pgu s LEU 513 CO 0.02 0.22 0.06 -0.22 0.23 0.00 0.00 176.35 176.67 1pgu s LEU 514 N -0.84 3.47 0.13 1.79 1.98 -0.87 -1.86 118.68 122.47 1pgu s LEU 514 Ca 0.08 -0.17 0.06 0.00 -2.89 0.00 0.00 54.13 51.21 1pgu s LEU 514 Cb -0.09 -1.92 -0.04 0.00 0.66 0.00 0.00 46.19 44.80 1pgu s LEU 514 CO 0.00 -0.00 -0.00 -0.31 -1.89 0.00 0.00 176.35 174.15 1pgu s TYR 515 N 1.42 2.92 -0.38 5.38 1.51 0.17 0.65 117.35 129.01 1pgu s TYR 515 Ca 0.05 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 55.84 1pgu s TYR 515 Cb -0.15 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1pgu s TYR 515 CO 0.03 0.49 0.57 0.34 -1.11 0.00 0.00 175.55 175.87 1pgu s ASP 516 N -2.56 6.33 0.12 2.29 -1.08 0.13 -0.58 116.67 121.32 1pgu s ASP 516 Ca 0.26 -0.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.94 1pgu s ASP 516 Cb -0.11 -2.29 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 1pgu s ASP 516 CO 0.18 -0.60 1.70 0.25 0.52 0.00 0.00 175.17 177.23 1pgu h LEU 517 N 9.32 -0.21 -0.75 -1.34 6.46 -1.13 0.51 115.31 128.17 1pgu h LEU 517 Ca -0.27 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1pgu h LEU 517 Cb 1.11 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 1pgu h LEU 517 CO 0.82 -0.09 0.49 -0.61 -0.62 0.00 0.00 178.44 178.43 1pgu h GLN 518 N -0.06 0.99 -0.02 1.25 5.75 -1.83 -2.66 115.11 118.54 1pgu h GLN 518 Ca 0.07 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1pgu h GLN 518 Cb 0.16 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1pgu h GLN 518 CO -0.16 0.66 -0.22 -1.13 -2.65 0.00 0.00 178.83 175.33 1pgu n SER 519 N -4.56 1.96 -3.92 -0.69 3.41 -1.17 -4.95 113.62 103.69 1pgu n SER 519 Ca 0.07 -1.50 -0.31 0.00 -0.26 0.00 0.00 58.87 56.87 1pgu n SER 519 Cb 0.02 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 1pgu n SER 519 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1pgu n ARG 520 N 0.22 -2.29 -4.27 4.33 1.85 0.18 -4.91 116.66 111.77 1pgu n ARG 520 Ca 0.13 0.26 -0.28 0.00 -1.00 0.00 0.00 57.85 56.95 1pgu n ARG 520 Cb 0.45 -4.90 -0.10 0.00 -1.05 0.00 0.00 32.46 26.86 1pgu n ARG 520 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1pgu s GLU 521 N -6.59 2.02 0.02 2.89 2.56 -1.13 -1.56 118.70 116.91 1pgu s GLU 521 Ca 0.61 -1.16 -0.30 0.00 0.00 0.00 0.00 54.97 54.11 1pgu s GLU 521 Cb -0.34 -2.20 -0.06 0.00 2.00 0.00 0.00 34.13 33.53 1pgu s GLU 521 CO 0.74 0.47 1.47 0.08 -0.56 0.00 0.00 175.26 177.46 1pgu s VAL 522 N -1.40 3.53 -0.04 3.70 1.01 -1.26 0.19 120.40 126.12 1pgu s VAL 522 Ca 0.22 0.93 0.13 0.00 0.00 0.00 0.00 61.98 63.26 1pgu s VAL 522 Cb -0.10 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 1pgu s VAL 522 CO 0.14 -0.00 0.72 0.50 0.00 0.00 0.00 175.10 176.45 1pgu h LYS 523 N 7.96 0.00 -1.81 2.72 3.64 -0.09 -3.46 116.57 125.53 1pgu h LYS 523 Ca -0.39 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1pgu h LYS 523 Cb 1.18 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.77 1pgu h LYS 523 CO 0.91 0.49 0.20 -0.08 -2.27 0.00 0.00 179.45 178.70 1pgu s THR 524 N -2.64 0.00 -0.10 1.00 -1.32 -1.10 -4.99 115.64 106.48 1pgu s THR 524 Ca -0.04 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1pgu s THR 524 Cb 0.08 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.30 1pgu s THR 524 CO 0.82 0.00 1.12 -1.54 -2.21 0.00 0.00 174.62 172.81 1pgu n SER 525 N 3.62 2.25 0.13 8.08 3.41 -1.26 -2.05 113.62 127.80 1pgu n SER 525 Ca -0.18 -2.85 0.02 0.00 -0.26 0.00 0.00 58.87 55.60 1pgu n SER 525 Cb 0.58 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1pgu n SER 525 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pgu h ARG 526 N 0.00 0.00 -6.25 4.33 9.65 -1.92 -3.46 114.38 116.73 1pgu h ARG 526 Ca 0.00 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 1pgu h ARG 526 Cb 0.90 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.52 1pgu h ARG 526 CO 0.00 0.54 0.74 0.91 2.80 0.00 0.00 179.97 184.95 1pgu n TRP 527 N -3.23 1.89 -1.60 2.20 8.01 -1.26 -4.79 117.44 118.67 1pgu n TRP 527 Ca 0.01 0.49 -0.53 0.00 -1.31 0.00 0.00 57.50 56.16 1pgu n TRP 527 Cb 0.76 -2.44 -0.06 0.00 -2.01 0.00 0.00 31.31 27.55 1pgu n TRP 527 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pgu n ALA 528 N 4.19 -1.04 -1.77 6.99 0.00 -1.26 -4.70 120.51 122.91 1pgu n ALA 528 Ca 0.22 0.51 -0.39 0.00 0.00 0.00 0.00 53.44 53.78 1pgu n ALA 528 Cb 0.19 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 1pgu n ALA 528 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pgu s PHE 529 N 0.76 2.88 -0.95 0.00 5.36 -1.26 -4.81 117.98 119.96 1pgu s PHE 529 Ca 0.86 1.47 0.10 0.00 -0.96 0.00 0.00 56.93 58.40 1pgu s PHE 529 Cb -0.98 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 1pgu s PHE 529 CO 0.49 -1.83 0.65 0.54 -1.46 0.00 0.00 175.22 173.61 1pgu n ARG 530 N 0.00 2.01 -3.94 10.12 1.74 0.05 -4.99 116.66 121.66 1pgu n ARG 530 Ca 0.05 -0.63 -0.27 0.00 -0.77 0.00 0.00 57.85 56.22 1pgu n ARG 530 Cb 0.45 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1pgu n ARG 530 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1pgu n THR 531 N -0.22 -2.84 -3.65 0.55 -1.04 -1.26 -4.92 114.28 100.90 1pgu n THR 531 Ca 0.04 -0.32 -0.02 0.00 -2.04 0.00 0.00 64.05 61.70 1pgu n THR 531 Cb 0.22 -2.78 -0.07 0.00 -1.82 0.00 0.00 70.33 65.88 1pgu n THR 531 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1pgu s SER 532 N -3.99 -0.23 0.43 8.00 0.15 -1.26 -4.91 113.70 111.89 1pgu s SER 532 Ca 0.25 0.40 -0.24 0.00 0.70 0.00 0.00 55.95 57.06 1pgu s SER 532 Cb -0.13 0.76 -0.10 0.00 -1.71 0.00 0.00 66.02 64.84 1pgu s SER 532 CO 0.87 -0.07 1.10 1.17 1.20 0.00 0.00 173.24 177.51 1pgu n LYS 533 N 2.61 1.51 -3.43 5.44 4.81 -1.19 -2.47 118.16 125.45 1pgu n LYS 533 Ca -0.15 0.54 -0.38 0.00 -0.87 0.00 0.00 58.31 57.46 1pgu n LYS 533 Cb 0.57 -2.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 1pgu n LYS 533 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1pgu s ILE 534 N -1.26 5.23 -0.36 3.15 1.09 -1.09 -1.03 121.20 126.93 1pgu s ILE 534 Ca 0.64 0.67 0.12 0.00 -1.10 0.00 0.00 60.65 60.97 1pgu s ILE 534 Cb -0.53 -3.70 -0.15 0.00 -1.06 0.00 0.00 42.46 37.02 1pgu s ILE 534 CO 0.56 0.29 0.41 0.59 -0.10 0.00 0.00 174.94 176.70 1pgu n ASN 535 N 4.19 1.16 -3.61 3.58 3.02 -0.35 -4.12 115.26 119.12 1pgu n ASN 535 Ca -0.09 -0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 53.81 1pgu n ASN 535 Cb 0.51 1.20 -0.07 0.00 -0.61 0.00 0.00 39.78 40.81 1pgu n ASN 535 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgu s ALA 536 N -2.37 -1.57 -0.08 5.41 0.00 -1.13 -4.75 121.76 117.27 1pgu s ALA 536 Ca 0.01 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 1pgu s ALA 536 Cb 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.72 1pgu s ALA 536 CO 0.49 -0.32 0.17 0.42 0.00 0.00 0.00 175.76 176.51 1pgu s ILE 537 N -0.43 -0.10 -0.09 0.00 1.01 -1.26 -1.12 121.20 119.21 1pgu s ILE 537 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1pgu s ILE 537 Cb -0.03 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.21 1pgu s ILE 537 CO 0.05 0.09 0.20 -0.55 0.00 0.00 0.00 174.94 174.72 1pgu s SER 538 N 1.42 0.18 0.11 3.58 0.15 0.62 -4.81 113.70 114.95 1pgu s SER 538 Ca -0.07 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.70 1pgu s SER 538 Cb -0.11 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1pgu s SER 538 CO -0.06 -0.20 1.10 0.26 1.20 0.00 0.00 173.24 175.54 1pgu s TRP 539 N 1.75 3.58 0.09 3.44 0.52 -1.26 -0.69 118.94 126.37 1pgu s TRP 539 Ca -0.04 1.55 -0.30 0.00 0.02 0.00 0.00 56.10 57.32 1pgu s TRP 539 Cb -0.12 -3.27 -0.06 0.00 -1.15 0.00 0.00 33.47 28.88 1pgu s TRP 539 CO -0.07 -0.63 1.15 0.21 0.02 0.00 0.00 176.95 177.62 1pgu s LYS 540 N 0.33 4.49 0.39 4.98 2.20 -0.68 -4.85 119.74 126.60 1pgu s LYS 540 Ca 0.52 1.71 -0.11 0.00 -0.36 0.00 0.00 55.97 57.74 1pgu s LYS 540 Cb -0.27 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.64 1pgu s LYS 540 CO 0.31 -0.14 0.76 -1.25 -0.36 0.00 0.00 175.35 174.67 1pgu s PRO 541 N 0.66 3.81 0.47 4.03 0.04 -1.26 -4.77 135.00 137.98 1pgu s PRO 541 Ca 0.55 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 1pgu s PRO 541 Cb -0.28 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1pgu s PRO 541 CO 0.31 -0.00 1.01 0.00 0.04 0.00 0.00 177.00 178.35 1pgu s ALA 542 N -2.31 2.93 0.10 8.56 0.00 -1.26 -4.57 121.76 125.21 1pgu s ALA 542 Ca 0.52 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 1pgu s ALA 542 Cb -0.10 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1pgu s ALA 542 CO 0.29 -0.17 1.67 1.49 0.00 0.00 0.00 175.76 179.05 1pgu h GLU 543 N 1.67 0.31 -6.86 0.00 4.57 -1.97 -3.45 114.58 108.85 1pgu h GLU 543 Ca -0.49 -0.05 -0.53 0.00 -1.18 0.00 0.00 59.36 57.12 1pgu h GLU 543 Cb 1.21 -0.06 0.21 0.00 -0.16 0.00 0.00 28.75 29.95 1pgu h GLU 543 CO 0.60 0.33 -0.47 -1.91 -1.18 0.00 0.00 179.01 176.38 1pgu n GLU 550 N -4.85 -0.41 0.23 1.92 4.07 -1.26 -5.12 120.64 115.23 1pgu n GLU 550 Ca -0.03 -0.07 0.11 0.00 -0.06 0.00 0.00 57.16 57.10 1pgu n GLU 550 Cb 0.10 -1.93 0.49 0.00 -0.06 0.00 0.00 31.44 30.03 1pgu n GLU 550 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1pgu h ILE 551 N -1.65 0.51 -1.93 6.31 2.04 -2.02 -3.45 117.51 117.32 1pgu h ILE 551 Ca -0.44 -1.04 -0.64 0.00 1.00 0.00 0.00 64.86 63.73 1pgu h ILE 551 Cb 1.28 1.72 0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1pgu h ILE 551 CO 0.36 0.20 0.95 -0.62 0.00 0.00 0.00 178.15 179.03 1pgu n GLU 552 N -3.38 1.85 -1.69 2.37 1.02 -1.26 -4.86 120.64 114.68 1pgu n GLU 552 Ca 0.00 0.68 -0.42 0.00 -0.02 0.00 0.00 57.16 57.40 1pgu n GLU 552 Cb 0.41 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1pgu n GLU 552 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pgu n GLU 553 N 5.43 1.95 0.02 3.49 1.02 -1.26 -4.88 120.64 126.41 1pgu n GLU 553 Ca 0.22 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1pgu n GLU 553 Cb 0.25 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1pgu n GLU 553 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1pgu n ASP 554 N 0.45 -0.29 -4.75 1.62 2.03 -1.26 -4.82 116.55 109.53 1pgu n ASP 554 Ca 0.06 0.08 -0.41 0.00 0.52 0.00 0.00 54.79 55.04 1pgu n ASP 554 Cb 0.38 0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 41.30 1pgu n ASP 554 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pgu s LEU 555 N -5.20 4.50 -0.18 -2.67 2.01 -1.26 -1.80 118.68 114.08 1pgu s LEU 555 Ca 0.00 2.26 -0.03 0.00 0.01 0.00 0.00 54.13 56.37 1pgu s LEU 555 Cb 0.00 -3.62 0.06 0.00 0.01 0.00 0.00 46.19 42.64 1pgu s LEU 555 CO 0.00 -0.25 0.03 -0.69 1.01 0.00 0.00 176.35 176.45 1pgu s VAL 556 N -0.68 0.53 0.12 -1.59 1.01 -0.47 -1.69 120.40 117.63 1pgu s VAL 556 Ca 0.48 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1pgu s VAL 556 Cb -0.32 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 1pgu s VAL 556 CO 0.40 -0.15 1.08 0.00 0.00 0.00 0.00 175.10 176.42 1pgu s ALA 557 N 1.86 3.32 -0.01 5.51 0.00 0.14 -1.07 121.76 131.51 1pgu s ALA 557 Ca -0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1pgu s ALA 557 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1pgu s ALA 557 CO -0.08 -0.22 -0.03 0.95 0.00 0.00 0.00 175.76 176.39 1pgu s THR 558 N 0.21 0.27 -0.02 0.00 -4.23 -0.16 -0.28 115.64 111.43 1pgu s THR 558 Ca 0.51 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1pgu s THR 558 Cb -0.27 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1pgu s THR 558 CO 0.32 0.10 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.54 1pgu s GLY 559 N 0.16 1.61 0.15 3.99 0.00 -0.28 -1.14 107.32 111.81 1pgu s GLY 559 Ca -0.01 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.75 1pgu s GLY 559 CO -0.00 -0.86 -0.16 -1.35 0.00 0.00 0.00 173.10 170.72 1pgu s SER 560 N -1.08 2.38 0.56 1.64 1.04 -0.80 -1.21 113.70 116.23 1pgu s SER 560 Ca 0.14 -0.85 0.27 0.00 0.48 0.00 0.00 55.95 55.98 1pgu s SER 560 Cb -0.11 -0.12 1.48 0.00 0.10 0.00 0.00 66.02 67.37 1pgu s SER 560 CO 0.03 -0.09 1.99 0.25 0.98 0.00 0.00 173.24 176.40 1pgu h LEU 561 N 3.31 0.00 -0.64 2.42 5.85 -1.33 -1.14 115.31 123.77 1pgu h LEU 561 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1pgu h LEU 561 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1pgu h LEU 561 CO 0.52 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.72 1pgu n ASP 562 N -4.08 0.53 0.00 1.25 5.68 -1.26 -2.64 116.55 116.03 1pgu n ASP 562 Ca 0.08 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1pgu n ASP 562 Cb 0.57 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1pgu n ASP 562 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1pgu n THR 563 N -0.12 0.00 -3.36 2.12 -2.24 -0.45 -4.76 114.28 105.46 1pgu n THR 563 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1pgu n THR 563 Cb 0.13 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1pgu n THR 563 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pgu s ASN 564 N -3.37 6.32 -0.17 3.42 0.01 -1.24 -0.61 114.94 119.31 1pgu s ASN 564 Ca 0.00 0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.66 1pgu s ASN 564 Cb 0.00 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.63 1pgu s ASN 564 CO 0.00 -0.28 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.51 1pgu s ILE 565 N -2.27 1.86 -0.17 0.60 1.01 -0.40 -1.91 121.20 119.92 1pgu s ILE 565 Ca 0.41 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1pgu s ILE 565 Cb -0.10 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1pgu s ILE 565 CO 0.35 0.48 -0.20 -0.36 0.00 0.00 0.00 174.94 175.21 1pgu s PHE 566 N 1.37 2.75 -0.42 3.97 0.40 -0.29 -0.11 117.98 125.64 1pgu s PHE 566 Ca 0.04 -1.53 -0.14 0.00 -0.60 0.00 0.00 56.93 54.70 1pgu s PHE 566 Cb -0.13 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.55 1pgu s PHE 566 CO -0.12 -0.74 0.31 0.42 0.70 0.00 0.00 175.22 175.80 1pgu s ILE 567 N 1.13 5.11 0.69 0.64 1.01 0.15 -0.99 121.20 128.94 1pgu s ILE 567 Ca 0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1pgu s ILE 567 Cb -0.14 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.49 1pgu s ILE 567 CO -0.09 -0.38 0.99 -0.31 0.00 0.00 0.00 174.94 175.14 1pgu s TYR 568 N 1.64 2.66 -0.05 3.97 1.51 -0.23 -1.97 117.35 124.87 1pgu s TYR 568 Ca 0.04 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1pgu s TYR 568 Cb -0.21 -3.15 0.01 0.00 -0.11 0.00 0.00 41.96 38.50 1pgu s TYR 568 CO 0.08 -1.43 -0.11 0.45 -1.11 0.00 0.00 175.55 173.43 1pgu s SER 569 N -4.55 1.58 0.13 2.29 0.15 -1.25 -1.37 113.70 110.68 1pgu s SER 569 Ca 0.61 -0.26 -0.05 0.00 0.70 0.00 0.00 55.95 56.96 1pgu s SER 569 Cb -0.10 -0.65 -0.08 0.00 -1.71 0.00 0.00 66.02 63.49 1pgu s SER 569 CO 0.44 0.04 1.32 0.58 1.20 0.00 0.00 173.24 176.82 1pgu h VAL 570 N 5.80 1.39 0.01 4.45 2.07 -1.68 -2.57 116.25 125.71 1pgu h VAL 570 Ca -0.33 -2.38 -0.23 0.00 0.82 0.00 0.00 66.70 64.59 1pgu h VAL 570 Cb 1.18 2.36 0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1pgu h VAL 570 CO 0.48 0.71 -0.89 0.11 0.02 0.00 0.00 177.57 178.00 1pgu h LYS 571 N 0.25 0.59 -2.70 1.57 1.57 -1.88 -3.39 116.57 112.59 1pgu h LYS 571 Ca -0.07 -0.65 -0.61 0.00 -1.87 0.00 0.00 60.65 57.46 1pgu h LYS 571 Cb 1.54 0.19 -0.41 0.00 0.08 0.00 0.00 32.23 33.63 1pgu h LYS 571 CO 0.16 1.25 -0.73 0.54 -0.57 0.00 0.00 179.45 180.10 1pgu n ARG 572 N -3.99 1.33 0.00 3.15 1.74 -1.24 -5.10 116.66 112.54 1pgu n ARG 572 Ca -0.11 -4.02 0.00 0.00 -0.77 0.00 0.00 57.85 52.95 1pgu n ARG 572 Cb 0.81 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1pgu n ARG 572 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1pgu n PRO 573 N 2.08 0.00 -0.10 5.56 -0.02 -0.97 -4.35 135.00 137.21 1pgu n PRO 573 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1pgu n PRO 573 Cb 0.41 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1pgu n PRO 573 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pgu n LYS 575 N 1.23 0.00 -4.22 -0.52 4.81 -1.26 -4.30 118.16 113.90 1pgu n LYS 575 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1pgu n LYS 575 Cb 0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 35.03 34.86 1pgu n LYS 575 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1pgu s ILE 576 N -0.06 0.55 -0.28 3.15 1.01 -1.26 -3.84 121.20 120.46 1pgu s ILE 576 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1pgu s ILE 576 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 1pgu s ILE 576 CO 0.00 0.20 0.08 -0.63 0.00 0.00 0.00 174.94 174.59 1pgu s ILE 577 N 0.43 4.12 0.27 2.92 1.01 -0.83 -4.93 121.20 124.19 1pgu s ILE 577 Ca -0.06 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.17 1pgu s ILE 577 Cb -0.10 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1pgu s ILE 577 CO 0.00 0.15 -0.16 -1.59 0.00 0.00 0.00 174.94 173.34 1pgu s LYS 578 N 1.54 1.59 -0.30 2.79 -2.85 -1.26 0.31 119.74 121.57 1pgu s LYS 578 Ca 0.04 -1.74 -0.03 0.00 -1.00 0.00 0.00 55.97 53.23 1pgu s LYS 578 Cb -0.17 -1.54 0.10 0.00 -2.06 0.00 0.00 37.83 34.16 1pgu s LYS 578 CO 0.03 0.25 0.14 0.00 0.10 0.00 0.00 175.35 175.86 1pgu s ALA 579 N -2.68 0.78 0.51 0.59 0.00 0.85 -4.60 121.76 117.20 1pgu s ALA 579 Ca 0.28 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 1pgu s ALA 579 Cb -0.02 -1.45 -0.08 0.00 0.00 0.00 0.00 23.12 21.57 1pgu s ALA 579 CO 0.13 -1.70 0.99 -0.51 0.00 0.00 0.00 175.76 174.66 1pgu s LEU 580 N 1.92 3.67 -1.40 0.00 1.43 -1.26 -1.28 118.68 121.75 1pgu s LEU 580 Ca 0.10 1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 1pgu s LEU 580 Cb -0.17 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.57 1pgu s LEU 580 CO -0.31 -0.59 1.08 0.59 0.23 0.00 0.00 176.35 177.35 1pgu n ASN 581 N -1.45 -5.30 -0.09 2.29 3.02 -1.23 -4.92 115.26 107.58 1pgu n ASN 581 Ca 0.07 -0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 53.84 1pgu n ASN 581 Cb 0.54 -4.61 -0.04 0.00 -0.61 0.00 0.00 39.78 35.06 1pgu n ASN 581 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgu h ALA 582 N 0.99 0.47 -2.98 5.41 0.00 -1.01 -3.45 119.26 118.69 1pgu h ALA 582 Ca -0.58 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 53.65 1pgu h ALA 582 Cb 1.37 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.75 1pgu h ALA 582 CO 0.59 0.58 -0.53 -1.01 0.00 0.00 0.00 179.25 178.88 1pgu s HIS 583 N -4.27 -0.34 0.27 0.00 3.76 -1.17 -5.00 115.29 108.53 1pgu s HIS 583 Ca -0.11 0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 55.32 1pgu s HIS 583 Cb 0.10 -0.04 -0.11 0.00 1.11 0.00 0.00 32.58 33.63 1pgu s HIS 583 CO 0.87 -0.29 1.62 0.21 -0.85 0.00 0.00 174.74 176.29 1pgu s LYS 584 N 1.91 4.13 -0.29 1.40 2.20 -1.26 -1.49 119.74 126.34 1pgu s LYS 584 Ca -0.03 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1pgu s LYS 584 Cb -0.11 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1pgu s LYS 584 CO -0.08 -0.65 0.00 -0.25 -0.36 0.00 0.00 175.35 174.01 1pgu n ASP 585 N 2.65 -4.35 0.00 1.43 8.00 -1.26 -3.07 116.55 119.95 1pgu n ASP 585 Ca 0.10 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1pgu n ASP 585 Cb 0.37 -2.09 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 1pgu n ASP 585 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pgu n GLY 586 N -1.30 3.28 3.68 0.44 0.00 -0.55 -4.61 105.19 106.12 1pgu n GLY 586 Ca -0.03 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1pgu n GLY 586 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgu s VAL 587 N -0.59 4.55 -0.17 1.61 1.01 -1.12 -0.50 120.40 125.18 1pgu s VAL 587 Ca 0.00 1.84 0.07 0.00 0.00 0.00 0.00 61.98 63.89 1pgu s VAL 587 Cb 0.00 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.97 1pgu s VAL 587 CO 0.00 -0.02 0.16 0.59 0.00 0.00 0.00 175.10 175.83 1pgu n ASN 588 N 5.26 1.21 -3.94 3.32 3.02 0.13 -4.38 115.26 119.88 1pgu n ASN 588 Ca 0.10 0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.64 1pgu n ASN 588 Cb 0.47 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 1pgu n ASN 588 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pgu s ASN 589 N -6.24 0.19 -0.10 6.41 0.01 -1.07 -4.56 114.94 109.57 1pgu s ASN 589 Ca -0.19 -0.51 -0.08 0.00 -0.71 0.00 0.00 52.86 51.38 1pgu s ASN 589 Cb 0.07 0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.96 1pgu s ASN 589 CO 0.75 -0.45 0.26 -0.76 -1.51 0.00 0.00 177.10 175.39 1pgu s LEU 590 N -1.93 0.81 0.00 0.60 1.43 -1.26 -1.67 118.68 116.67 1pgu s LEU 590 Ca -0.08 0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 53.35 1pgu s LEU 590 Cb -0.03 0.85 0.04 0.00 0.03 0.00 0.00 46.19 47.08 1pgu s LEU 590 CO -0.03 -0.11 0.43 -0.76 0.23 0.00 0.00 176.35 176.11 1pgu s LEU 591 N 0.50 0.33 -0.46 1.79 1.43 -0.43 -4.65 118.68 117.19 1pgu s LEU 591 Ca -0.03 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1pgu s LEU 591 Cb -0.04 1.74 0.07 0.00 0.03 0.00 0.00 46.19 47.99 1pgu s LEU 591 CO -0.03 -0.57 0.37 0.26 0.23 0.00 0.00 176.35 176.62 1pgu s TRP 592 N -1.76 3.26 -1.02 0.29 0.52 -1.26 0.47 118.94 119.43 1pgu s TRP 592 Ca -0.10 -1.02 0.29 0.00 0.02 0.00 0.00 56.10 55.29 1pgu s TRP 592 Cb -0.02 -3.13 1.24 0.00 -1.15 0.00 0.00 33.47 30.40 1pgu s TRP 592 CO 0.03 -0.80 1.92 -0.85 0.02 0.00 0.00 176.95 177.27 1pgu n GLU 593 N 5.16 0.02 -3.55 4.98 0.28 -0.88 -4.80 120.64 121.85 1pgu n GLU 593 Ca -0.12 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.76 1pgu n GLU 593 Cb 0.44 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.76 1pgu n GLU 593 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1pgu s THR 594 N -2.98 0.03 0.62 3.84 2.01 -1.19 -4.91 115.64 113.06 1pgu s THR 594 Ca 0.15 -0.27 0.32 0.00 0.31 0.00 0.00 61.69 62.19 1pgu s THR 594 Cb 0.19 -1.03 0.37 0.00 0.01 0.00 0.00 72.50 72.03 1pgu s THR 594 CO 0.52 -0.15 2.11 -0.65 -0.69 0.00 0.00 174.62 175.76 1pgu h PRO 595 N 2.47 0.00 -0.04 4.92 0.11 -1.87 -2.44 132.00 135.15 1pgu h PRO 595 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1pgu h PRO 595 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pgu h PRO 595 CO 0.42 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.08 1pgu n SER 596 N -3.48 2.10 -3.82 -2.05 3.41 -1.26 -4.75 113.62 103.77 1pgu n SER 596 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.37 1pgu n SER 596 Cb 0.29 -0.03 -0.17 0.00 -0.26 0.00 0.00 64.21 64.04 1pgu n SER 596 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pgu s THR 597 N -1.00 0.61 -0.15 6.66 -4.23 -0.92 -0.41 115.64 116.20 1pgu s THR 597 Ca 0.03 -0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1pgu s THR 597 Cb 0.01 -0.73 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 1pgu s THR 597 CO 0.02 0.28 0.15 -0.22 -0.54 0.00 0.00 174.62 174.31 1pgu s LEU 598 N 1.88 4.31 -0.10 4.79 0.20 -0.18 -2.07 118.68 127.51 1pgu s LEU 598 Ca 0.05 0.39 0.01 0.00 0.69 0.00 0.00 54.13 55.27 1pgu s LEU 598 Cb -0.13 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 1pgu s LEU 598 CO -0.06 0.30 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.47 1pgu s VAL 599 N -0.38 3.12 0.13 1.68 1.01 0.18 0.10 120.40 126.24 1pgu s VAL 599 Ca 0.12 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1pgu s VAL 599 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1pgu s VAL 599 CO 0.02 0.55 -0.16 -0.94 0.00 0.00 0.00 175.10 174.57 1pgu s SER 600 N -0.10 2.25 0.05 3.32 1.04 0.40 -1.32 113.70 119.34 1pgu s SER 600 Ca -0.01 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 55.65 1pgu s SER 600 Cb -0.14 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1pgu s SER 600 CO 0.03 -0.09 -0.12 -0.94 0.98 0.00 0.00 173.24 173.11 1pgu s SER 601 N -2.43 1.37 0.31 7.02 1.04 -0.67 -0.51 113.70 119.84 1pgu s SER 601 Ca 0.10 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1pgu s SER 601 Cb -0.06 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1pgu s SER 601 CO 0.04 -0.09 0.15 -0.83 0.98 0.00 0.00 173.24 173.49 1pgu s GLY 602 N -1.52 2.11 0.46 7.32 0.00 -0.86 0.20 107.32 115.02 1pgu s GLY 602 Ca -0.04 -1.73 0.31 0.00 0.00 0.00 0.00 44.72 43.27 1pgu s GLY 602 CO 0.01 -1.61 1.95 0.00 0.00 0.00 0.00 173.10 173.45 1pgu h ALA 603 N 2.18 1.00 -0.22 3.20 0.00 -0.93 -1.29 119.26 123.20 1pgu h ALA 603 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1pgu h ALA 603 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pgu h ALA 603 CO 0.53 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 1pgu n ASP 604 N -2.70 1.40 -1.27 0.00 5.75 -1.17 -4.04 116.55 114.52 1pgu n ASP 604 Ca -0.00 -2.04 -0.17 0.00 -0.01 0.00 0.00 54.79 52.57 1pgu n ASP 604 Cb 0.17 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 39.97 1pgu n ASP 604 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pgu n ALA 605 N 0.16 -0.25 -2.93 2.12 0.00 -0.51 -4.76 120.51 114.35 1pgu n ALA 605 Ca 0.08 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 1pgu n ALA 605 Cb 0.24 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 1pgu n ALA 605 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgu s ILE 607 N -1.77 1.60 0.03 0.00 1.01 -0.99 -2.04 121.20 119.04 1pgu s ILE 607 Ca 0.34 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1pgu s ILE 607 Cb -0.11 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1pgu s ILE 607 CO 0.28 0.46 -0.16 -0.54 0.00 0.00 0.00 174.94 174.98 1pgu s LYS 608 N 0.42 1.09 -0.12 2.79 1.02 0.33 -0.88 119.74 124.40 1pgu s LYS 608 Ca -0.15 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1pgu s LYS 608 Cb -0.16 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1pgu s LYS 608 CO 0.06 0.28 -0.07 1.03 -0.92 0.00 0.00 175.35 175.73 1pgu s ARG 609 N -0.94 3.27 0.06 1.68 0.52 -0.56 -0.46 118.95 122.53 1pgu s ARG 609 Ca 0.04 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 1pgu s ARG 609 Cb -0.07 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1pgu s ARG 609 CO 0.01 0.38 -0.22 -1.58 0.02 0.00 0.00 175.30 173.91 1pgu s TRP 610 N -0.05 1.89 -0.18 -0.53 0.52 0.11 0.15 118.94 120.87 1pgu s TRP 610 Ca -0.00 -0.39 -0.10 0.00 0.02 0.00 0.00 56.10 55.63 1pgu s TRP 610 Cb -0.13 -1.11 -0.05 0.00 -1.15 0.00 0.00 33.47 31.03 1pgu s TRP 610 CO 0.03 0.13 0.16 -0.80 0.02 0.00 0.00 176.95 176.49 1pgu s ASN 611 N -1.38 6.29 -0.36 2.95 0.01 -0.25 -1.01 114.94 121.18 1pgu s ASN 611 Ca 0.08 0.33 -0.05 0.00 -0.71 0.00 0.00 52.86 52.50 1pgu s ASN 611 Cb -0.09 -2.10 0.07 0.00 0.41 0.00 0.00 41.25 39.53 1pgu s ASN 611 CO 0.03 0.22 0.14 -0.69 -1.51 0.00 0.00 177.10 175.29 1pgu s VAL 612 N 0.06 3.61 -2.00 1.60 1.01 0.45 -1.78 120.40 123.36 1pgu s VAL 612 Ca 0.11 -1.45 0.16 0.00 0.00 0.00 0.00 61.98 60.80 1pgu s VAL 612 Cb -0.12 -3.18 0.45 0.00 0.00 0.00 0.00 36.38 33.53 1pgu s VAL 612 CO 0.00 -0.35 1.36 0.52 0.00 0.00 0.00 175.10 176.63