#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 -0.28 -0.23 -3.46 1.04 0.13 -4.98 113.70 105.91 1pgu s SER 3 Ca 0.00 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 1pgu s SER 3 Cb 0.00 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.90 1pgu s SER 3 CO 0.00 -1.31 0.00 -0.63 0.98 0.00 0.00 173.24 172.28 1pgu s ILE 4 N -3.90 1.07 -0.01 -1.02 1.01 -1.26 -0.57 121.20 116.53 1pgu s ILE 4 Ca 0.10 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1pgu s ILE 4 Cb -0.06 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1pgu s ILE 4 CO 0.05 -0.23 -0.23 -0.94 0.00 0.00 0.00 174.94 173.60 1pgu s SER 5 N 1.59 3.34 0.10 3.58 1.04 -0.76 -4.77 113.70 117.83 1pgu s SER 5 Ca -0.02 -0.44 -0.32 0.00 0.48 0.00 0.00 55.95 55.66 1pgu s SER 5 Cb -0.18 -0.46 -0.11 0.00 0.10 0.00 0.00 66.02 65.37 1pgu s SER 5 CO -0.09 0.31 1.80 -0.11 0.98 0.00 0.00 173.24 176.12 1pgu n LEU 6 N 2.19 3.81 -0.07 2.42 7.94 -1.26 -1.56 117.00 130.47 1pgu n LEU 6 Ca -0.16 1.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.66 1pgu n LEU 6 Cb 0.52 -1.50 -0.08 0.00 0.53 0.00 0.00 43.42 42.88 1pgu n LEU 6 CO 0.24 0.07 -0.94 1.17 -1.11 0.00 0.00 177.39 176.82 1pgu n LYS 7 N 5.35 1.28 -3.61 1.96 4.81 -0.25 -4.87 118.16 122.83 1pgu n LYS 7 Ca 0.18 0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.51 1pgu n LYS 7 Cb 0.35 -1.31 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 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 -2.30 0.88 -0.15 1.64 2.12 -1.05 -4.97 118.70 114.88 1pgu s GLU 8 Ca -0.13 0.75 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1pgu s GLU 8 Cb 0.04 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.88 1pgu s GLU 8 CO 0.43 -0.16 -0.14 0.42 -0.54 0.00 0.00 175.26 175.26 1pgu s ILE 9 N -0.10 1.55 -0.55 -3.70 1.09 -1.26 -1.81 121.20 116.43 1pgu s ILE 9 Ca -0.03 -0.62 -0.15 0.00 -1.10 0.00 0.00 60.65 58.75 1pgu s ILE 9 Cb -0.03 -1.46 0.13 0.00 -1.06 0.00 0.00 42.46 40.04 1pgu s ILE 9 CO 0.04 0.46 0.49 -0.63 -0.10 0.00 0.00 174.94 175.20 1pgu s ILE 10 N 1.49 5.09 0.79 2.92 1.01 -0.21 -4.90 121.20 127.39 1pgu s ILE 10 Ca 0.05 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 58.99 1pgu s ILE 10 Cb -0.13 -4.27 0.07 0.00 0.01 0.00 0.00 42.46 38.14 1pgu s ILE 10 CO -0.11 -0.87 1.09 -2.16 0.00 0.00 0.00 174.94 172.90 1pgu s PRO 11 N 1.48 2.13 0.83 2.79 0.04 -1.26 -2.48 135.00 138.53 1pgu s PRO 11 Ca 0.04 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 1pgu s PRO 11 Cb -0.28 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1pgu s PRO 11 CO 0.02 -1.70 1.17 -1.25 0.04 0.00 0.00 177.00 175.28 1pgu s PRO 12 N -4.93 1.56 0.73 0.56 0.04 -1.25 -4.87 135.00 126.84 1pgu s PRO 12 Ca 0.61 -0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 1pgu s PRO 12 Cb -0.17 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1pgu s PRO 12 CO 0.56 -1.77 1.05 -0.65 0.04 0.00 0.00 177.00 176.23 1pgu s GLN 13 N -5.57 2.06 0.42 4.56 -1.52 0.21 -4.97 119.66 114.86 1pgu s GLN 13 Ca 0.66 -0.26 -0.25 0.00 -1.95 0.00 0.00 55.36 53.56 1pgu s GLN 13 Cb -0.08 -2.13 -0.08 0.00 -0.22 0.00 0.00 33.01 30.49 1pgu s GLN 13 CO 0.49 -1.36 1.24 -2.14 -0.25 0.00 0.00 175.29 173.27 1pgu s PRO 14 N -5.32 3.90 0.68 2.91 0.02 -1.26 -4.58 135.00 131.34 1pgu s PRO 14 Ca 0.61 1.99 -0.15 0.00 0.02 0.00 0.00 61.00 63.48 1pgu s PRO 14 Cb -0.10 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.79 1pgu s PRO 14 CO 0.46 -0.50 1.14 -1.54 -0.33 0.00 0.00 177.00 176.23 1pgu s SER 15 N -0.99 4.83 0.06 2.53 1.04 -0.50 -4.73 113.70 115.95 1pgu s SER 15 Ca 0.59 2.13 -0.10 0.00 0.48 0.00 0.00 55.95 59.05 1pgu s SER 15 Cb -0.34 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.22 1pgu s SER 15 CO 0.43 -1.82 0.22 -0.89 0.98 0.00 0.00 173.24 172.16 1pgu s THR 16 N -2.18 0.11 -0.11 2.02 2.01 -1.26 -4.90 115.64 111.34 1pgu s THR 16 Ca 0.70 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1pgu s THR 16 Cb -0.24 -1.08 0.05 0.00 0.01 0.00 0.00 72.50 71.24 1pgu s THR 16 CO 0.42 -0.52 0.24 -1.10 -0.69 0.00 0.00 174.62 172.97 1pgu s GLN 17 N -3.10 0.20 0.27 4.92 -0.21 -1.26 -5.10 119.66 115.38 1pgu s GLN 17 Ca -0.01 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.60 1pgu s GLN 17 Cb 0.01 -0.12 -0.13 0.00 1.00 0.00 0.00 33.01 33.77 1pgu s GLN 17 CO -0.07 -0.17 1.41 -2.13 -2.12 0.00 0.00 175.29 172.21 1pgu n ARG 18 N 4.29 2.17 -1.00 2.91 0.63 -1.26 -1.44 116.66 122.96 1pgu n ARG 18 Ca -0.24 0.77 -0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1pgu n ARG 18 Cb 0.53 -2.43 -0.00 0.00 0.45 0.00 0.00 32.46 31.01 1pgu n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pgu n ASN 19 N 1.83 -4.24 -4.17 6.15 3.02 -1.26 -5.00 115.26 111.59 1pgu n ASN 19 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1pgu n ASN 19 Cb 0.33 -1.74 -0.13 0.00 -0.61 0.00 0.00 39.78 37.63 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 -1.59 1.35 0.24 3.10 0.40 -0.52 -5.14 117.98 115.83 1pgu s PHE 20 Ca 0.00 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1pgu s PHE 20 Cb 0.00 -0.79 -0.08 0.00 0.51 0.00 0.00 43.02 42.66 1pgu s PHE 20 CO 0.00 0.06 0.67 0.99 0.70 0.00 0.00 175.22 177.64 1pgu s THR 21 N -0.94 4.72 -0.31 0.64 2.01 -1.26 -4.53 115.64 115.97 1pgu s THR 21 Ca 0.02 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1pgu s THR 21 Cb -0.09 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.79 1pgu s THR 21 CO 0.02 0.03 0.01 -0.89 -0.69 0.00 0.00 174.62 173.10 1pgu s THR 22 N -1.72 2.71 -0.15 -0.82 2.01 -0.68 -4.97 115.64 112.01 1pgu s THR 22 Ca 0.46 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 1pgu s THR 22 Cb -0.13 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1pgu s THR 22 CO 0.19 -0.26 1.27 -1.00 -0.69 0.00 0.00 174.62 174.13 1pgu s HIS 23 N 1.14 2.85 0.45 4.92 3.76 -1.26 -4.35 115.29 122.80 1pgu s HIS 23 Ca -0.01 1.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.98 1pgu s HIS 23 Cb -0.20 -3.51 0.03 0.00 1.11 0.00 0.00 32.58 30.01 1pgu s HIS 23 CO -0.04 -1.73 0.62 -0.51 -0.85 0.00 0.00 174.74 172.23 1pgu s LEU 24 N 3.40 3.53 -0.05 0.89 1.43 -1.26 -4.57 118.68 122.05 1pgu s LEU 24 Ca 0.55 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1pgu s LEU 24 Cb -0.22 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1pgu s LEU 24 CO 0.16 -0.89 0.21 -0.55 0.23 0.00 0.00 176.35 175.50 1pgu s SER 25 N -4.42 -0.15 0.02 2.29 0.15 -1.08 -4.99 113.70 105.52 1pgu s SER 25 Ca 0.56 0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.47 1pgu s SER 25 Cb -0.09 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1pgu s SER 25 CO 0.34 -0.20 -0.11 -0.47 1.20 0.00 0.00 173.24 174.01 1pgu s TYR 26 N -0.46 0.95 -0.17 3.44 5.04 -1.26 -0.64 117.35 124.24 1pgu s TYR 26 Ca -0.06 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 1pgu s TYR 26 Cb -0.04 -0.59 0.03 0.00 0.35 0.00 0.00 41.96 41.71 1pgu s TYR 26 CO 0.01 -0.01 -0.16 0.34 -1.34 0.00 0.00 175.55 174.39 1pgu s ASP 27 N -0.74 3.04 0.09 4.32 -1.08 0.43 -4.91 116.67 117.82 1pgu s ASP 27 Ca 0.01 -0.64 -0.19 0.00 -0.52 0.00 0.00 52.55 51.20 1pgu s ASP 27 Cb -0.06 -1.34 -0.08 0.00 -1.46 0.00 0.00 42.92 39.98 1pgu s ASP 27 CO 0.00 -0.05 1.60 -0.65 0.52 0.00 0.00 175.17 176.59 1pgu h PRO 28 N 7.98 0.36 -0.74 4.34 0.11 -1.94 0.13 132.00 142.23 1pgu h PRO 28 Ca -0.40 -0.08 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1pgu h PRO 28 Cb 1.13 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 1pgu h PRO 28 CO 0.57 0.45 0.27 1.15 -0.21 0.00 0.00 178.00 180.23 1pgu h THR 29 N 0.19 0.62 -0.01 -1.15 2.02 -1.98 -2.16 112.91 110.45 1pgu h THR 29 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1pgu h THR 29 Cb 0.25 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1pgu h THR 29 CO -0.00 0.07 -0.66 0.35 0.37 0.00 0.00 175.52 175.65 1pgu n THR 30 N -5.04 0.00 -3.70 3.16 -2.24 -1.22 -4.98 114.28 100.26 1pgu n THR 30 Ca 0.14 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1pgu n THR 30 Cb 0.43 1.17 0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1pgu n THR 30 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pgu n ASN 31 N -0.54 -2.06 -4.24 3.42 4.05 0.41 -4.70 115.26 111.59 1pgu n ASN 31 Ca 0.07 -0.87 -0.15 0.00 0.45 0.00 0.00 54.58 54.08 1pgu n ASN 31 Cb 0.42 -3.89 -0.10 0.00 1.23 0.00 0.00 39.78 37.43 1pgu n ASN 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1pgu s ALA 32 N -3.66 1.45 0.03 5.20 0.00 -1.01 -0.82 121.76 122.95 1pgu s ALA 32 Ca 0.11 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.74 1pgu s ALA 32 Cb -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1pgu s ALA 32 CO 0.83 -0.03 -0.22 0.96 0.00 0.00 0.00 175.76 177.30 1pgu s ILE 33 N -2.87 2.47 0.06 0.00 -4.36 -0.30 -0.43 121.20 115.77 1pgu s ILE 33 Ca 0.13 -1.22 0.08 0.00 -0.26 0.00 0.00 60.65 59.38 1pgu s ILE 33 Cb -0.00 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 1pgu s ILE 33 CO 0.02 0.40 -0.20 0.00 0.24 0.00 0.00 174.94 175.39 1pgu s ALA 34 N -0.83 2.53 -0.06 2.27 0.00 0.18 -0.65 121.76 125.21 1pgu s ALA 34 Ca 0.13 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1pgu s ALA 34 Cb -0.10 -0.64 0.11 0.00 0.00 0.00 0.00 23.12 22.49 1pgu s ALA 34 CO 0.03 0.57 0.96 1.52 0.00 0.00 0.00 175.76 178.84 1pgu s TYR 35 N -0.95 -0.31 0.45 0.00 -0.85 -0.43 -2.63 117.35 112.63 1pgu s TYR 35 Ca 0.15 0.24 -0.02 0.00 -0.52 0.00 0.00 57.07 56.92 1pgu s TYR 35 Cb -0.10 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1pgu s TYR 35 CO 0.06 -0.45 0.70 -1.25 -1.52 0.00 0.00 175.55 173.08 1pgu s PRO 36 N -2.72 3.28 -0.30 -3.49 0.04 -1.26 -0.64 135.00 129.91 1pgu s PRO 36 Ca 0.05 -0.21 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 1pgu s PRO 36 Cb -0.01 -2.50 0.19 0.00 0.04 0.00 0.00 34.50 32.22 1pgu s PRO 36 CO -0.07 -0.20 0.85 0.00 0.04 0.00 0.00 177.00 177.62 1pgu n GLY 38 N 5.39 2.09 1.65 0.00 0.00 -1.26 -2.41 105.19 110.65 1pgu n GLY 38 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 13.14 4.21 -4.29 1.61 5.02 -1.26 -0.83 118.16 135.75 1pgu n LYS 39 Ca 0.00 -2.64 -0.19 0.00 -2.02 0.00 0.00 58.31 53.46 1pgu n LYS 39 Cb 0.00 -2.12 -0.11 0.00 -0.02 0.00 0.00 35.03 32.78 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 -0.67 2.29 -0.09 4.39 0.01 -1.01 -4.53 113.70 114.09 1pgu s SER 40 Ca 0.46 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1pgu s SER 40 Cb 0.34 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1pgu s SER 40 CO 0.14 -0.15 -0.17 0.00 0.41 0.00 0.00 173.24 173.47 1pgu s ALA 41 N -2.47 2.48 0.17 1.44 0.00 -0.45 -1.56 121.76 121.37 1pgu s ALA 41 Ca 0.15 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.27 1pgu s ALA 41 Cb -0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1pgu s ALA 41 CO 0.05 0.35 -0.25 -0.06 0.00 0.00 0.00 175.76 175.85 1pgu s PHE 42 N 0.02 2.30 -0.18 0.00 0.40 0.18 -0.65 117.98 120.05 1pgu s PHE 42 Ca -0.06 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1pgu s PHE 42 Cb -0.15 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.25 1pgu s PHE 42 CO 0.05 0.44 -0.06 0.08 0.70 0.00 0.00 175.22 176.43 1pgu s VAL 43 N -1.47 1.22 -0.15 -0.44 1.01 -0.31 -1.31 120.40 118.94 1pgu s VAL 43 Ca 0.18 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1pgu s VAL 43 Cb -0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1pgu s VAL 43 CO 0.08 0.10 -0.11 -0.60 0.00 0.00 0.00 175.10 174.58 1pgu s ARG 44 N 1.58 3.39 0.08 2.72 3.52 0.18 -1.77 118.95 128.65 1pgu s ARG 44 Ca -0.00 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 1pgu s ARG 44 Cb -0.16 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1pgu s ARG 44 CO -0.08 0.11 0.95 0.00 -0.81 0.00 0.00 175.30 175.48 1pgu n LEU 46 N 3.03 0.42 -4.52 0.00 4.77 -0.00 -4.95 117.00 115.74 1pgu n LEU 46 Ca 0.03 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1pgu n LEU 46 Cb 0.50 -0.29 0.19 0.00 -2.33 0.00 0.00 43.42 41.48 1pgu n LEU 46 CO 0.51 0.10 0.36 0.47 -1.33 0.00 0.00 177.39 177.50 1pgu n ASP 47 N -1.48 -1.02 -4.03 -1.43 10.43 -1.26 -5.06 116.55 112.70 1pgu n ASP 47 Ca 0.06 0.16 -0.09 0.00 2.57 0.00 0.00 54.79 57.49 1pgu n ASP 47 Cb 0.34 -1.31 -0.11 0.00 1.84 0.00 0.00 41.12 41.88 1pgu n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1pgu s ASP 48 N -2.37 0.47 0.13 -2.24 2.15 -1.26 -5.00 116.67 108.54 1pgu s ASP 48 Ca 0.65 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1pgu s ASP 48 Cb -0.22 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 1pgu s ASP 48 CO 0.63 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 1pgu n GLY 49 N 1.17 1.55 3.02 2.66 0.00 -1.26 -4.80 105.19 107.52 1pgu n GLY 49 Ca -0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1pgu n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pgu s ASP 50 N -4.00 -0.15 0.30 1.61 1.47 -1.26 -5.16 116.67 109.48 1pgu s ASP 50 Ca 0.00 0.31 -0.07 0.00 1.18 0.00 0.00 52.55 53.97 1pgu s ASP 50 Cb 0.00 0.30 -0.00 0.00 -0.34 0.00 0.00 42.92 42.88 1pgu s ASP 50 CO 0.00 -0.06 0.46 -0.94 0.68 0.00 0.00 175.17 175.31 1pgu s SER 51 N 0.19 0.44 0.01 2.11 1.04 -1.26 -5.04 113.70 111.19 1pgu s SER 51 Ca -0.01 -1.26 0.24 0.00 0.48 0.00 0.00 55.95 55.40 1pgu s SER 51 Cb -0.02 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.08 1pgu s SER 51 CO -0.00 -1.22 1.31 0.29 0.98 0.00 0.00 173.24 174.59 1pgu n LYS 52 N -0.47 0.04 -2.97 4.02 4.76 -1.26 -4.89 118.16 117.39 1pgu n LYS 52 Ca -0.00 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1pgu n LYS 52 Cb 0.62 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.24 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 -3.03 4.79 0.23 -0.18 1.01 -1.26 -5.01 120.40 116.95 1pgu s VAL 53 Ca 0.10 1.64 -0.32 0.00 0.00 0.00 0.00 61.98 63.40 1pgu s VAL 53 Cb 0.17 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 1pgu s VAL 53 CO 0.73 0.33 1.63 -2.65 0.00 0.00 0.00 175.10 175.14 1pgu n PRO 54 N 3.06 2.58 -0.32 2.72 -0.02 -1.26 -4.87 135.00 136.90 1pgu n PRO 54 Ca -0.01 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.47 1pgu n PRO 54 Cb 0.50 -2.72 0.25 0.00 -0.02 0.00 0.00 33.50 31.51 1pgu n PRO 54 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1pgu h PRO 55 N 5.71 0.70 -3.25 0.52 0.11 -1.94 -3.40 132.00 130.45 1pgu h PRO 55 Ca -0.45 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1pgu h PRO 55 Cb 1.22 -0.16 -0.27 0.00 0.11 0.00 0.00 31.00 31.91 1pgu h PRO 55 CO 0.87 0.46 -0.50 0.08 -0.21 0.00 0.00 178.00 178.71 1pgu s VAL 56 N -5.94 -0.00 -0.11 3.15 1.01 -1.26 -1.83 120.40 115.41 1pgu s VAL 56 Ca -0.12 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1pgu s VAL 56 Cb 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.34 1pgu s VAL 56 CO 0.79 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 175.05 1pgu s VAL 57 N 0.21 1.50 -0.13 2.92 1.01 -0.73 -4.99 120.40 120.20 1pgu s VAL 57 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1pgu s VAL 57 Cb -0.02 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1pgu s VAL 57 CO -0.01 0.44 -0.18 -1.58 0.00 0.00 0.00 175.10 173.78 1pgu s GLN 58 N 0.94 3.21 -0.23 2.72 0.74 -1.26 -1.16 119.66 124.62 1pgu s GLN 58 Ca -0.08 -0.77 -0.02 0.00 0.05 0.00 0.00 55.36 54.54 1pgu s GLN 58 Cb -0.15 -2.51 0.01 0.00 1.10 0.00 0.00 33.01 31.46 1pgu s GLN 58 CO -0.01 0.14 -0.06 0.12 -0.55 0.00 0.00 175.29 174.93 1pgu s PHE 59 N 0.49 2.99 -1.46 1.67 5.36 0.18 -4.94 117.98 122.27 1pgu s PHE 59 Ca -0.12 -1.29 0.15 0.00 -0.96 0.00 0.00 56.93 54.71 1pgu s PHE 59 Cb -0.16 -2.07 0.33 0.00 -0.34 0.00 0.00 43.02 40.77 1pgu s PHE 59 CO 0.05 -0.66 1.24 0.25 -1.46 0.00 0.00 175.22 174.64 1pgu n THR 60 N 4.72 0.70 0.02 0.12 -2.24 -1.26 -1.34 114.28 115.01 1pgu n THR 60 Ca -0.18 -0.85 0.01 0.00 -2.27 0.00 0.00 64.05 60.77 1pgu n THR 60 Cb 0.49 0.75 0.08 0.00 -2.10 0.00 0.00 70.33 69.55 1pgu n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgu n GLY 61 N 0.88 -0.51 0.07 3.38 0.00 -1.26 -1.93 105.19 105.82 1pgu n GLY 61 Ca 0.14 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1pgu n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pgu n HIS 62 N -1.56 0.01 0.00 1.61 8.25 -1.26 -4.97 115.22 117.29 1pgu n HIS 62 Ca -0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1pgu n HIS 62 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.98 3.81 0.45 -1.41 0.00 -0.82 -1.94 105.19 106.26 1pgu n GLY 63 Ca 0.21 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 8.08 1.36 -4.64 1.61 3.41 -1.26 -4.84 113.62 117.34 1pgu n SER 64 Ca 0.00 -1.59 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 1pgu n SER 64 Cb 0.00 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.70 5.97 0.26 4.04 0.15 -0.82 -5.04 113.70 116.56 1pgu s SER 65 Ca 0.34 0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.76 1pgu s SER 65 Cb 0.18 -2.07 -0.13 0.00 -1.71 0.00 0.00 66.02 62.29 1pgu s SER 65 CO 0.28 0.07 1.47 0.52 1.20 0.00 0.00 173.24 176.78 1pgu n VAL 66 N 4.27 0.99 -2.81 4.45 0.31 -1.26 -4.67 118.33 119.61 1pgu n VAL 66 Ca -0.15 -0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 63.53 1pgu n VAL 66 Cb 0.52 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.76 1pgu n VAL 66 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pgu s VAL 67 N -0.05 4.49 -0.26 2.52 1.01 -0.01 -1.25 120.40 126.85 1pgu s VAL 67 Ca 0.67 1.94 0.02 0.00 0.00 0.00 0.00 61.98 64.61 1pgu s VAL 67 Cb -0.60 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.35 1pgu s VAL 67 CO 0.49 0.37 -0.22 0.35 0.00 0.00 0.00 175.10 176.09 1pgu n THR 68 N 2.54 1.48 -3.71 3.92 -2.24 0.78 -4.59 114.28 112.45 1pgu n THR 68 Ca 0.00 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1pgu n THR 68 Cb 0.49 -1.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.26 1pgu n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pgu s THR 69 N -2.52 0.07 -0.04 4.28 -4.23 -1.22 -4.75 115.64 107.23 1pgu s THR 69 Ca -0.34 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1pgu s THR 69 Cb 0.09 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 73.05 1pgu s THR 69 CO 0.60 -0.30 0.03 -0.69 -0.54 0.00 0.00 174.62 173.71 1pgu s VAL 70 N -2.36 0.09 -0.08 2.29 1.01 -1.26 -1.97 120.40 118.13 1pgu s VAL 70 Ca -0.06 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1pgu s VAL 70 Cb -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1pgu s VAL 70 CO -0.02 0.18 -0.13 -0.54 0.00 0.00 0.00 175.10 174.59 1pgu s LYS 71 N 1.69 1.87 0.52 2.72 -0.14 0.36 -4.37 119.74 122.38 1pgu s LYS 71 Ca -0.01 -0.45 -0.21 0.00 -1.36 0.00 0.00 55.97 53.94 1pgu s LYS 71 Cb -0.13 -1.58 -0.06 0.00 -1.68 0.00 0.00 37.83 34.39 1pgu s LYS 71 CO -0.03 -0.02 1.20 -0.06 -0.76 0.00 0.00 175.35 175.68 1pgu s PHE 72 N 0.84 2.62 0.53 3.18 0.40 -1.26 -0.89 117.98 123.41 1pgu s PHE 72 Ca -0.11 1.51 -0.19 0.00 -0.60 0.00 0.00 56.93 57.54 1pgu s PHE 72 Cb -0.15 -3.46 -0.07 0.00 0.51 0.00 0.00 43.02 39.85 1pgu s PHE 72 CO 0.01 -1.92 1.06 0.45 0.70 0.00 0.00 175.22 175.52 1pgu s SER 73 N -1.42 6.07 0.09 1.36 0.15 -0.89 -4.88 113.70 114.17 1pgu s SER 73 Ca 0.70 1.93 0.25 0.00 0.70 0.00 0.00 55.95 59.53 1pgu s SER 73 Cb -0.30 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.42 1pgu s SER 73 CO 0.35 -0.97 1.77 -2.65 1.20 0.00 0.00 173.24 172.94 1pgu n PRO 74 N -1.35 0.09 -2.46 5.44 -0.02 -1.26 -4.75 135.00 130.70 1pgu n PRO 74 Ca 0.09 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 1pgu n PRO 74 Cb 0.52 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1pgu n PRO 74 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pgu s ILE 75 N -3.07 4.07 0.12 4.25 1.01 -1.26 -4.96 121.20 121.36 1pgu s ILE 75 Ca 0.10 1.13 -0.35 0.00 0.00 0.00 0.00 60.65 61.53 1pgu s ILE 75 Cb 0.14 -4.33 -0.16 0.00 0.01 0.00 0.00 42.46 38.12 1pgu s ILE 75 CO 0.48 -0.77 1.34 0.29 0.00 0.00 0.00 174.94 176.28 1pgu n LYS 76 N 7.80 1.30 -0.61 2.79 5.02 -1.26 -1.61 118.16 131.58 1pgu n LYS 76 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1pgu n LYS 76 Cb 0.48 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 2.52 0.56 0.28 0.72 0.00 -1.26 -4.83 105.19 103.18 1pgu n GLY 77 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 -3.51 1.61 4.64 -1.68 -3.45 113.55 111.17 1pgu h SER 78 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1pgu h SER 78 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1pgu h SER 78 CO 0.00 0.05 -0.41 0.00 -0.87 0.00 0.00 176.83 175.59 1pgu n GLN 79 N -3.87 -2.04 -4.08 4.77 6.02 -1.26 -4.89 117.38 112.04 1pgu n GLN 79 Ca -0.03 0.77 -0.25 0.00 -0.01 0.00 0.00 57.00 57.49 1pgu n GLN 79 Cb 0.14 -5.41 -0.05 0.00 1.02 0.00 0.00 30.24 25.94 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 -2.80 3.17 0.17 1.08 4.12 -1.26 -2.41 117.35 119.42 1pgu s TYR 80 Ca 0.01 -0.04 -0.14 0.00 0.02 0.00 0.00 57.07 56.93 1pgu s TYR 80 Cb -0.00 -1.49 0.01 0.00 -1.52 0.00 0.00 41.96 38.96 1pgu s TYR 80 CO 0.01 0.52 0.41 -0.51 0.02 0.00 0.00 175.55 175.99 1pgu s LEU 81 N -3.35 0.51 -0.03 -1.29 1.02 0.17 -2.10 118.68 113.62 1pgu s LEU 81 Ca 0.32 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.84 1pgu s LEU 81 Cb -0.09 1.70 0.02 0.00 0.02 0.00 0.00 46.19 47.83 1pgu s LEU 81 CO 0.24 -0.97 -0.04 0.00 0.02 0.00 0.00 176.35 175.61 1pgu s SER 83 N 0.73 1.21 0.21 0.00 1.04 -0.41 -0.49 113.70 115.99 1pgu s SER 83 Ca -0.09 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1pgu s SER 83 Cb -0.12 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 1pgu s SER 83 CO -0.00 -0.28 -0.09 -0.83 0.98 0.00 0.00 173.24 173.02 1pgu s GLY 84 N -2.25 1.47 0.40 7.32 0.00 -0.83 0.11 107.32 113.54 1pgu s GLY 84 Ca 0.01 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.07 1pgu s GLY 84 CO -0.01 -1.73 0.14 0.51 0.00 0.00 0.00 173.10 172.01 1pgu s ASP 85 N -3.31 2.69 0.54 1.64 3.84 -0.80 -0.16 116.67 121.11 1pgu s ASP 85 Ca 0.24 -1.67 0.35 0.00 -0.00 0.00 0.00 52.55 51.46 1pgu s ASP 85 Cb 0.02 0.50 1.60 0.00 -1.38 0.00 0.00 42.92 43.66 1pgu s ASP 85 CO 0.07 -0.94 2.04 -0.33 -0.00 0.00 0.00 175.17 176.02 1pgu h GLU 86 N 1.82 0.00 -0.00 2.11 5.08 -1.47 -1.79 114.58 120.33 1pgu h GLU 86 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1pgu h GLU 86 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1pgu h GLU 86 CO 0.56 0.00 -0.02 -1.13 -1.00 0.00 0.00 179.01 177.42 1pgu n SER 87 N -2.94 0.06 0.00 1.42 3.41 -1.26 -1.96 113.62 112.34 1pgu n SER 87 Ca -0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1pgu n SER 87 Cb 0.22 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.31 0.66 3.73 5.00 0.00 -0.73 -4.66 105.19 110.49 1pgu n GLY 88 Ca 0.13 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.93 3.79 -0.05 1.61 2.20 -1.26 -1.72 119.74 123.39 1pgu s LYS 89 Ca 0.00 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1pgu s LYS 89 Cb 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1pgu s LYS 89 CO 0.00 0.46 -0.05 0.08 -0.36 0.00 0.00 175.35 175.48 1pgu s VAL 90 N -0.13 3.86 -0.03 4.02 1.01 -0.65 -1.91 120.40 126.58 1pgu s VAL 90 Ca 0.09 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1pgu s VAL 90 Cb -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1pgu s VAL 90 CO 0.01 0.55 -0.08 -0.63 0.00 0.00 0.00 175.10 174.94 1pgu s ILE 91 N -0.88 0.72 -0.22 2.22 1.01 0.12 -1.71 121.20 122.45 1pgu s ILE 91 Ca 0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1pgu s ILE 91 Cb -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1pgu s ILE 91 CO 0.03 0.23 0.07 -0.69 0.00 0.00 0.00 174.94 174.59 1pgu s VAL 92 N 0.23 4.60 0.09 2.92 1.01 0.76 -1.29 120.40 128.73 1pgu s VAL 92 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1pgu s VAL 92 Cb -0.08 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1pgu s VAL 92 CO 0.00 0.39 0.01 -1.66 0.00 0.00 0.00 175.10 173.84 1pgu s TRP 93 N 1.05 0.73 0.06 5.22 1.48 -0.52 0.76 118.94 127.72 1pgu s TRP 93 Ca 0.04 -1.14 0.01 0.00 -1.06 0.00 0.00 56.10 53.95 1pgu s TRP 93 Cb -0.14 -0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1pgu s TRP 93 CO 0.03 -0.42 -0.05 0.20 -4.06 0.00 0.00 176.95 172.65 1pgu s GLY 94 N -3.00 0.56 0.27 3.67 0.00 0.26 -0.65 107.32 108.43 1pgu s GLY 94 Ca 0.16 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1pgu s GLY 94 CO -0.04 -1.22 -0.04 0.66 0.00 0.00 0.00 173.10 172.46 1pgu s TRP 95 N -3.15 1.89 -0.05 1.90 1.48 -1.01 0.14 118.94 120.14 1pgu s TRP 95 Ca 0.04 -0.75 -0.14 0.00 -1.06 0.00 0.00 56.10 54.19 1pgu s TRP 95 Cb 0.02 -1.09 0.03 0.00 -1.16 0.00 0.00 33.47 31.27 1pgu s TRP 95 CO -0.05 0.21 0.33 0.99 -4.06 0.00 0.00 176.95 174.36 1pgu s THR 96 N -3.09 0.04 0.03 0.66 2.01 -0.01 -4.90 115.64 110.38 1pgu s THR 96 Ca 0.30 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1pgu s THR 96 Cb 0.04 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1pgu s THR 96 CO 0.11 -0.17 -0.06 0.12 -0.69 0.00 0.00 174.62 173.93 1pgu s PHE 97 N -0.83 0.50 -0.09 4.92 5.36 -1.26 -0.04 117.98 126.54 1pgu s PHE 97 Ca -0.09 -0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 55.38 1pgu s PHE 97 Cb -0.04 -0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 1pgu s PHE 97 CO 0.03 -0.10 0.12 -0.25 -1.46 0.00 0.00 175.22 173.56 1pgu n ASP 98 N 1.75 -3.76 0.00 6.13 8.00 -0.95 -4.93 116.55 122.80 1pgu n ASP 98 Ca -0.21 1.31 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1pgu n ASP 98 Cb 0.55 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 1pgu n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pgu n LYS 99 N 1.99 0.00 0.15 -1.24 5.02 -1.26 -4.83 118.16 117.99 1pgu n LYS 99 Ca -0.21 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.12 1pgu n LYS 99 Cb 0.32 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.38 1pgu n LYS 99 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pgu h GLU 100 N 0.00 0.00 0.00 1.97 5.08 -1.97 -3.31 114.58 116.35 1pgu h GLU 100 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1pgu h GLU 100 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1pgu h GLU 100 CO 0.00 0.42 -1.99 0.45 -1.00 0.00 0.00 179.01 176.89 1pgu n SER 101 N -3.20 0.27 -2.68 1.42 2.88 -1.26 -4.99 113.62 106.05 1pgu n SER 101 Ca 0.02 0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.49 1pgu n SER 101 Cb 0.70 1.01 0.04 0.00 -0.75 0.00 0.00 64.21 65.21 1pgu n SER 101 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pgu n ASN 102 N -2.66 -5.44 -3.45 -3.46 5.15 -1.25 -4.99 115.26 99.16 1pgu n ASN 102 Ca -0.18 -0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 53.35 1pgu n ASN 102 Cb 0.90 -4.21 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 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 -2.90 0.92 0.02 1.20 1.04 -1.26 -4.70 113.70 108.01 1pgu s SER 103 Ca 0.32 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1pgu s SER 103 Cb -0.14 0.60 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 1pgu s SER 103 CO 0.39 -1.18 0.49 -0.69 0.98 0.00 0.00 173.24 173.23 1pgu s VAL 104 N -3.36 4.92 -0.10 5.02 1.01 -1.26 -2.23 120.40 124.39 1pgu s VAL 104 Ca 0.33 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.35 1pgu s VAL 104 Cb 0.01 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1pgu s VAL 104 CO 0.20 0.54 -0.16 -1.61 0.00 0.00 0.00 175.10 174.08 1pgu s GLU 105 N -0.93 2.25 -0.16 2.72 2.02 0.95 -4.96 118.70 120.59 1pgu s GLU 105 Ca 0.26 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1pgu s GLU 105 Cb -0.18 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1pgu s GLU 105 CO 0.16 -0.02 -0.09 0.08 0.02 0.00 0.00 175.26 175.40 1pgu s VAL 106 N 0.87 3.27 -0.06 2.63 1.01 -1.26 -0.83 120.40 126.04 1pgu s VAL 106 Ca -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1pgu s VAL 106 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1pgu s VAL 106 CO 0.00 0.49 -0.15 0.20 0.00 0.00 0.00 175.10 175.65 1pgu s ASN 107 N 0.68 1.97 -0.03 3.32 0.01 0.12 -4.97 114.94 116.04 1pgu s ASN 107 Ca -0.05 -0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 1pgu s ASN 107 Cb -0.15 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 1pgu s ASN 107 CO 0.02 0.08 1.19 -0.69 -1.51 0.00 0.00 177.10 176.19 1pgu s VAL 108 N 0.43 4.25 -0.14 1.60 1.01 -1.26 -0.57 120.40 125.72 1pgu s VAL 108 Ca -0.11 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1pgu s VAL 108 Cb -0.14 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 31.98 1pgu s VAL 108 CO 0.04 0.03 0.30 0.29 0.00 0.00 0.00 175.10 175.75 1pgu n LYS 109 N 4.92 0.71 -3.50 2.72 4.76 0.23 -4.94 118.16 123.06 1pgu n LYS 109 Ca 0.10 0.23 -0.09 0.00 -2.87 0.00 0.00 58.31 55.68 1pgu n LYS 109 Cb 0.46 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 1pgu n LYS 109 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1pgu s SER 110 N -6.61 -0.40 -0.20 4.39 1.04 -0.71 -4.99 113.70 106.22 1pgu s SER 110 Ca -0.20 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1pgu s SER 110 Cb 0.07 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.66 1pgu s SER 110 CO 0.76 -0.64 0.51 -1.83 0.98 0.00 0.00 173.24 173.02 1pgu s GLU 111 N -2.97 0.55 0.04 4.02 -1.05 -1.26 -0.17 118.70 117.86 1pgu s GLU 111 Ca 0.04 0.81 0.03 0.00 -0.15 0.00 0.00 54.97 55.69 1pgu s GLU 111 Cb -0.01 0.17 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1pgu s GLU 111 CO -0.08 -0.11 -0.08 -0.06 0.95 0.00 0.00 175.26 175.88 1pgu s PHE 112 N 0.82 0.72 -0.73 4.83 0.40 -0.69 -5.01 117.98 118.32 1pgu s PHE 112 Ca -0.04 -0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 55.67 1pgu s PHE 112 Cb -0.05 -0.43 0.12 0.00 0.51 0.00 0.00 43.02 43.17 1pgu s PHE 112 CO -0.06 -0.05 0.88 -1.14 0.70 0.00 0.00 175.22 175.54 1pgu s GLN 113 N -1.35 3.29 -0.11 0.44 2.00 -1.26 -1.63 119.66 121.03 1pgu s GLN 113 Ca -0.07 -1.52 -0.06 0.00 -2.00 0.00 0.00 55.36 51.71 1pgu s GLN 113 Cb -0.09 -4.47 -0.04 0.00 0.80 0.00 0.00 33.01 29.21 1pgu s GLN 113 CO 0.01 -1.62 0.06 0.28 -0.50 0.00 0.00 175.29 173.52 1pgu h VAL 114 N 5.75 0.24 -1.93 1.34 2.07 -1.71 -3.49 116.25 118.52 1pgu h VAL 114 Ca -0.11 -1.19 -0.60 0.00 0.82 0.00 0.00 66.70 65.62 1pgu h VAL 114 Cb 1.06 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 1pgu h VAL 114 CO 1.07 0.08 -0.65 -0.76 0.02 0.00 0.00 177.57 177.34 1pgu s LEU 115 N -8.44 2.87 -0.03 2.57 1.43 -0.83 -5.01 118.68 111.25 1pgu s LEU 115 Ca -0.06 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 51.92 1pgu s LEU 115 Cb 0.00 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1pgu s LEU 115 CO 0.14 -0.22 0.27 0.00 0.23 0.00 0.00 176.35 176.76 1pgu h ALA 116 N 1.90 -0.25 -3.00 4.21 0.00 -1.83 -3.37 119.26 116.92 1pgu h ALA 116 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pgu h ALA 116 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pgu h ALA 116 CO 0.68 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1pgu n GLY 117 N 1.22 -2.02 3.78 0.00 0.00 -1.09 -4.18 105.19 102.89 1pgu n GLY 117 Ca -0.02 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.34 4.04 -0.01 1.61 0.04 -0.83 -2.53 135.00 135.99 1pgu s PRO 118 Ca 0.00 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 1pgu s PRO 118 Cb 0.00 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1pgu s PRO 118 CO 0.00 -0.27 0.73 0.42 0.04 0.00 0.00 177.00 177.92 1pgu s ILE 119 N -1.62 4.90 -0.21 0.56 1.01 -0.85 -1.85 121.20 123.14 1pgu s ILE 119 Ca 0.59 1.52 0.12 0.00 0.00 0.00 0.00 60.65 62.89 1pgu s ILE 119 Cb -0.24 -4.07 -0.22 0.00 0.01 0.00 0.00 42.46 37.94 1pgu s ILE 119 CO 0.30 0.31 -0.01 -1.54 0.00 0.00 0.00 174.94 174.00 1pgu n SER 120 N 3.30 0.76 -3.54 3.58 3.41 0.28 -4.72 113.62 116.69 1pgu n SER 120 Ca -0.02 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 1pgu n SER 120 Cb 0.51 0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.85 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 -5.90 -0.45 0.01 4.04 3.68 -0.84 -4.79 116.67 112.43 1pgu s ASP 121 Ca -0.19 0.08 0.01 0.00 2.13 0.00 0.00 52.55 54.58 1pgu s ASP 121 Cb 0.07 0.52 -0.01 0.00 -1.45 0.00 0.00 42.92 42.05 1pgu s ASP 121 CO 0.75 -0.80 -0.05 -0.63 0.13 0.00 0.00 175.17 174.57 1pgu s ILE 122 N -2.94 0.32 -0.02 4.11 1.01 -1.26 -1.23 121.20 121.19 1pgu s ILE 122 Ca -0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1pgu s ILE 122 Cb -0.00 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1pgu s ILE 122 CO -0.06 -0.13 0.04 -0.55 0.00 0.00 0.00 174.94 174.24 1pgu s SER 123 N -0.68 -0.00 0.28 3.58 0.15 -0.58 -4.92 113.70 111.52 1pgu s SER 123 Ca -0.04 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.68 1pgu s SER 123 Cb -0.05 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1pgu s SER 123 CO -0.00 -0.06 0.46 0.26 1.20 0.00 0.00 173.24 175.10 1pgu s TRP 124 N 0.45 3.48 0.71 3.44 0.52 -1.26 -1.12 118.94 125.16 1pgu s TRP 124 Ca -0.04 0.29 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1pgu s TRP 124 Cb -0.05 -1.83 0.09 0.00 -1.15 0.00 0.00 33.47 30.53 1pgu s TRP 124 CO -0.01 0.27 0.99 0.16 0.02 0.00 0.00 176.95 178.38 1pgu s ASP 125 N -3.70 4.58 0.34 2.95 -4.77 -1.00 -4.55 116.67 110.53 1pgu s ASP 125 Ca 0.39 0.10 0.26 0.00 -3.30 0.00 0.00 52.55 50.00 1pgu s ASP 125 Cb -0.10 -0.66 1.16 0.00 -1.09 0.00 0.00 42.92 42.24 1pgu s ASP 125 CO 0.32 -1.71 1.79 2.19 0.70 0.00 0.00 175.17 178.46 1pgu h PHE 126 N -0.56 0.00 -0.00 2.11 -5.15 -1.84 -1.99 116.94 109.52 1pgu h PHE 126 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 1pgu h PHE 126 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1pgu h PHE 126 CO 0.02 0.00 -0.42 0.39 -2.00 0.00 0.00 178.31 176.30 1pgu n GLU 127 N -2.44 0.04 -2.35 6.09 1.02 -1.26 -4.69 120.64 117.06 1pgu n GLU 127 Ca 0.01 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.98 1pgu n GLU 127 Cb 0.20 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.49 -0.24 0.00 0.62 0.00 -0.75 -4.83 105.19 101.48 1pgu n GLY 128 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.52 4.95 -4.32 1.61 1.74 -1.26 -4.95 116.66 111.91 1pgu n ARG 129 Ca -0.17 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.66 1pgu n ARG 129 Cb 0.63 -0.38 -0.12 0.00 -1.02 0.00 0.00 32.46 31.57 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 -0.71 1.21 -0.01 5.56 0.52 -1.26 -1.30 118.95 122.97 1pgu s ARG 130 Ca 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1pgu s ARG 130 Cb 0.00 -1.43 -0.00 0.00 0.52 0.00 0.00 34.95 34.04 1pgu s ARG 130 CO 0.00 0.32 -0.07 -0.51 0.02 0.00 0.00 175.30 175.06 1pgu s LEU 131 N -2.21 1.97 -0.31 2.53 1.43 0.39 -2.37 118.68 120.11 1pgu s LEU 131 Ca 0.11 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1pgu s LEU 131 Cb -0.08 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.81 1pgu s LEU 131 CO 0.05 0.08 0.05 0.00 0.23 0.00 0.00 176.35 176.77 1pgu s VAL 133 N 1.37 3.90 0.05 0.00 1.01 -0.41 -1.53 120.40 124.80 1pgu s VAL 133 Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1pgu s VAL 133 Cb -0.19 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1pgu s VAL 133 CO 0.01 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 1pgu s VAL 134 N -0.20 0.17 0.00 2.92 1.01 -0.37 -0.54 120.40 123.39 1pgu s VAL 134 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1pgu s VAL 134 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1pgu s VAL 134 CO 0.02 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.95 1pgu n GLY 135 N 0.32 -0.54 2.70 4.51 0.00 0.01 0.99 105.19 113.18 1pgu n GLY 135 Ca -0.16 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1pgu n GLY 135 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pgu s GLU 136 N 0.00 0.59 0.00 1.61 -1.05 -0.77 -2.17 118.70 116.90 1pgu s GLU 136 Ca 0.00 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 1pgu s GLU 136 Cb 0.00 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.85 1pgu s GLU 136 CO 0.00 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.44 1pgu n GLY 137 N 4.30 1.71 3.32 -3.83 0.00 -0.32 -2.67 105.19 107.70 1pgu n GLY 137 Ca 0.10 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1pgu n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pgu s ARG 138 N 3.74 2.99 -1.61 1.61 6.06 -1.26 -4.46 118.95 126.03 1pgu s ARG 138 Ca 0.00 -0.92 0.00 0.00 -2.50 0.00 0.00 55.73 52.31 1pgu s ARG 138 Cb 0.00 -3.37 0.00 0.00 0.06 0.00 0.00 34.95 31.64 1pgu s ARG 138 CO 0.00 -0.48 0.00 -3.47 -2.50 0.00 0.00 175.30 168.85 1pgu n ASP 139 N 4.85 -4.01 -3.66 -2.12 2.03 -1.26 -4.87 116.55 107.52 1pgu n ASP 139 Ca -0.14 0.37 -0.06 0.00 0.52 0.00 0.00 54.79 55.48 1pgu n ASP 139 Cb 0.47 -3.67 -0.08 0.00 -0.72 0.00 0.00 41.12 37.13 1pgu n ASP 139 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1pgu s ASN 140 N -2.28 -0.56 0.00 1.67 3.04 -1.26 -5.05 114.94 110.50 1pgu s ASN 140 Ca 0.00 1.19 0.15 0.00 0.04 0.00 0.00 52.86 54.24 1pgu s ASN 140 Cb 0.00 1.65 0.17 0.00 -1.54 0.00 0.00 41.25 41.53 1pgu s ASN 140 CO 0.00 -0.23 1.05 0.49 -3.04 0.00 0.00 177.10 175.37 1pgu n PHE 141 N 5.38 0.10 0.00 0.43 3.01 -1.26 -1.18 117.46 123.94 1pgu n PHE 141 Ca -0.10 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1pgu n PHE 141 Cb 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 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 0.88 0.02 3.60 1.37 0.00 -1.26 -0.81 105.19 108.99 1pgu n GLY 142 Ca 0.10 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -0.13 1.61 -7.23 0.30 -4.27 120.40 108.68 1pgu s VAL 143 Ca 0.00 -1.36 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1pgu s VAL 143 Cb 0.00 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.81 1pgu s VAL 143 CO 0.00 -0.01 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.35 1pgu s PHE 144 N -4.01 1.55 0.09 2.82 0.40 -1.26 -1.29 117.98 116.30 1pgu s PHE 144 Ca 0.21 -0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1pgu s PHE 144 Cb -0.01 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 1pgu s PHE 144 CO 0.08 -0.55 0.03 0.96 0.70 0.00 0.00 175.22 176.45 1pgu s ILE 145 N 1.69 0.15 0.31 0.64 -4.36 -0.28 0.07 121.20 119.42 1pgu s ILE 145 Ca 0.04 -1.81 -0.27 0.00 -0.26 0.00 0.00 60.65 58.35 1pgu s ILE 145 Cb -0.13 -1.77 -0.10 0.00 1.25 0.00 0.00 42.46 41.71 1pgu s ILE 145 CO -0.08 -0.70 0.97 -0.44 0.24 0.00 0.00 174.94 174.93 1pgu s SER 146 N -2.98 7.33 0.54 4.36 0.01 -0.64 -0.46 113.70 121.87 1pgu s SER 146 Ca 0.15 1.93 0.29 0.00 1.31 0.00 0.00 55.95 59.64 1pgu s SER 146 Cb 0.07 -2.59 1.55 0.00 0.21 0.00 0.00 66.02 65.26 1pgu s SER 146 CO -0.04 -0.08 2.11 4.11 0.41 0.00 0.00 173.24 179.75 1pgu h TRP 147 N 3.37 0.00 0.00 2.43 5.08 -1.52 -1.80 115.95 123.51 1pgu h TRP 147 Ca -0.47 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.12 1pgu h TRP 147 Cb 1.20 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.29 1pgu h TRP 147 CO 0.61 0.09 -2.43 -0.40 -1.28 0.00 0.00 178.44 175.03 1pgu n ASP 148 N -3.58 2.03 -0.04 0.11 5.75 -1.26 -4.71 116.55 114.85 1pgu n ASP 148 Ca -0.02 -0.06 0.03 0.00 -0.01 0.00 0.00 54.79 54.73 1pgu n ASP 148 Cb 0.22 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.69 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 -3.38 0.36 0.00 -1.12 3.41 -1.25 -4.93 113.62 106.70 1pgu n SER 149 Ca -0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1pgu n SER 149 Cb 0.95 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.48 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 1.53 0.53 3.77 5.00 0.00 -0.68 -4.98 105.19 110.37 1pgu n GLY 150 Ca -0.14 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.14 5.81 0.29 1.61 0.01 -1.26 -4.57 114.94 114.70 1pgu s ASN 151 Ca 0.00 2.20 -0.29 0.00 -0.71 0.00 0.00 52.86 54.05 1pgu s ASN 151 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 1pgu s ASN 151 CO 0.00 -1.16 1.35 -0.55 -1.51 0.00 0.00 177.10 175.24 1pgu s SER 152 N -1.70 6.74 -0.14 -1.22 0.15 -1.26 -1.61 113.70 114.66 1pgu s SER 152 Ca 0.71 2.66 0.15 0.00 0.70 0.00 0.00 55.95 60.17 1pgu s SER 152 Cb -0.25 -2.64 0.39 0.00 -1.71 0.00 0.00 66.02 61.82 1pgu s SER 152 CO 0.28 -0.59 1.19 0.18 1.20 0.00 0.00 173.24 175.50 1pgu n LEU 153 N 1.45 2.13 0.00 3.45 4.77 0.11 -4.89 117.00 124.02 1pgu n LEU 153 Ca 0.03 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1pgu n LEU 153 Cb 0.41 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1pgu n LEU 153 CO 0.60 1.07 0.00 0.61 -1.33 0.00 0.00 177.39 178.33 1pgu n GLY 154 N -0.69 0.96 2.98 -0.72 0.00 -1.26 -0.54 105.19 105.93 1pgu n GLY 154 Ca 0.15 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 0.31 -0.25 1.61 2.02 0.14 -4.33 118.70 116.20 1pgu s GLU 155 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1pgu s GLU 155 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 1pgu s GLU 155 CO 0.00 -0.05 0.21 0.08 0.02 0.00 0.00 175.26 175.52 1pgu s VAL 156 N -1.45 5.31 0.33 2.63 1.01 -1.26 -4.48 120.40 122.49 1pgu s VAL 156 Ca -0.16 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1pgu s VAL 156 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1pgu s VAL 156 CO -0.01 0.29 0.43 -1.54 0.00 0.00 0.00 175.10 174.26 1pgu n SER 157 N 4.67 -1.17 0.00 3.32 3.41 -1.26 -4.78 113.62 117.81 1pgu n SER 157 Ca -0.13 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1pgu n SER 157 Cb 0.52 2.26 0.00 0.00 -0.26 0.00 0.00 64.21 66.72 1pgu n SER 157 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgu n GLY 158 N -0.56 0.71 3.29 5.00 0.00 -1.26 -4.93 105.19 107.44 1pgu n GLY 158 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.51 2.49 -1.25 1.61 3.76 -1.26 -4.93 115.29 113.20 1pgu s HIS 159 Ca 0.00 -0.70 0.12 0.00 -0.15 0.00 0.00 55.06 54.32 1pgu s HIS 159 Cb 0.00 -1.62 0.04 0.00 1.11 0.00 0.00 32.58 32.10 1pgu s HIS 159 CO 0.00 -0.20 0.77 -1.13 -0.85 0.00 0.00 174.74 173.32 1pgu n SER 160 N 2.98 1.60 -3.85 1.40 3.41 -1.26 -4.97 113.62 112.94 1pgu n SER 160 Ca -0.18 -1.30 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 1pgu n SER 160 Cb 0.52 0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 1pgu n SER 160 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pgu s GLN 161 N -1.29 1.44 0.15 4.33 -0.21 -1.26 -5.13 119.66 117.69 1pgu s GLN 161 Ca 0.11 -1.77 -0.32 0.00 0.02 0.00 0.00 55.36 53.40 1pgu s GLN 161 Cb 0.10 0.30 -0.17 0.00 1.00 0.00 0.00 33.01 34.24 1pgu s GLN 161 CO 0.23 -0.51 0.89 -2.13 -2.12 0.00 0.00 175.29 171.65 1pgu n ARG 162 N -0.41 0.46 -3.66 2.91 0.63 -1.26 -4.74 116.66 110.59 1pgu n ARG 162 Ca 0.04 0.16 -0.36 0.00 -0.92 0.00 0.00 57.85 56.77 1pgu n ARG 162 Cb 0.64 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 32.02 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 -0.53 5.37 -0.15 5.15 1.01 -0.92 -1.74 121.20 129.39 1pgu s ILE 163 Ca 0.73 0.35 0.13 0.00 0.00 0.00 0.00 60.65 61.86 1pgu s ILE 163 Cb -0.97 -3.54 -0.24 0.00 0.01 0.00 0.00 42.46 37.73 1pgu s ILE 163 CO 0.56 0.44 0.24 0.59 0.00 0.00 0.00 174.94 176.76 1pgu n ASN 164 N 3.36 0.61 -3.75 3.58 3.02 0.23 -3.89 115.26 118.43 1pgu n ASN 164 Ca -0.15 0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1pgu n ASN 164 Cb 0.52 0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 40.05 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 -2.53 -0.75 0.18 5.41 0.00 -0.60 -4.34 121.76 119.12 1pgu s ALA 165 Ca -0.12 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1pgu s ALA 165 Cb 0.07 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1pgu s ALA 165 CO 0.80 -0.72 0.47 0.00 0.00 0.00 0.00 175.76 176.31 1pgu s HIS 167 N -3.88 -0.55 -0.13 0.00 2.46 -1.26 -4.73 115.29 107.20 1pgu s HIS 167 Ca 0.10 1.19 -0.02 0.00 0.47 0.00 0.00 55.06 56.79 1pgu s HIS 167 Cb 0.00 0.37 -0.03 0.00 -0.13 0.00 0.00 32.58 32.80 1pgu s HIS 167 CO -0.04 -0.36 -0.05 -0.51 -2.47 0.00 0.00 174.74 171.32 1pgu s LEU 168 N -0.33 3.23 0.13 8.88 1.43 -1.26 -4.46 118.68 126.30 1pgu s LEU 168 Ca -0.01 -0.10 -0.33 0.00 -1.03 0.00 0.00 54.13 52.66 1pgu s LEU 168 Cb -0.03 -1.76 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 1pgu s LEU 168 CO 0.00 0.23 1.68 1.17 0.23 0.00 0.00 176.35 179.65 1pgu n LYS 169 N 3.15 2.33 -0.69 1.70 4.81 0.19 -4.82 118.16 124.82 1pgu n LYS 169 Ca -0.18 0.84 -0.06 0.00 -0.87 0.00 0.00 58.31 58.05 1pgu n LYS 169 Cb 0.53 -2.65 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 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 4.24 1.37 -3.61 1.64 1.13 -1.26 -4.58 117.38 116.30 1pgu n GLN 170 Ca 0.18 -0.54 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 1pgu n GLN 170 Cb 0.31 -1.32 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 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 1.60 -0.07 0.20 1.08 1.04 -1.26 -4.71 113.70 111.57 1pgu s SER 171 Ca 0.19 -0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.34 1pgu s SER 171 Cb 0.11 0.15 -0.08 0.00 0.10 0.00 0.00 66.02 66.31 1pgu s SER 171 CO -0.01 -0.28 0.66 -0.13 0.98 0.00 0.00 173.24 174.47 1pgu s ARG 172 N -2.41 4.15 0.00 4.02 1.81 -1.26 -4.58 118.95 120.68 1pgu s ARG 172 Ca 0.13 0.73 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 1pgu s ARG 172 Cb 0.04 -2.89 0.00 0.00 -0.45 0.00 0.00 34.95 31.64 1pgu s ARG 172 CO -0.04 0.42 0.00 -2.30 -0.68 0.00 0.00 175.30 172.70 1pgu n PRO 173 N 0.74 0.41 0.00 3.54 -0.02 -1.26 -5.08 135.00 133.33 1pgu n PRO 173 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 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 -0.28 -0.52 5.12 -1.26 -4.98 116.66 114.75 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 -3.58 0.55 2.88 -0.52 -0.64 113.62 112.31 1pgu n SER 176 Ca 0.00 -0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 1pgu n SER 176 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.50 0.00 -0.01 2.46 -4.23 -0.73 -0.62 115.64 111.00 1pgu s THR 178 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1pgu s THR 178 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1pgu s THR 178 CO 0.00 0.00 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.35 1pgu s VAL 179 N -0.48 0.30 0.00 2.29 1.01 0.56 -1.55 120.40 122.53 1pgu s VAL 179 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pgu s VAL 179 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1pgu s VAL 179 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1pgu n GLY 180 N 3.14 3.55 3.60 4.51 0.00 -0.13 0.77 105.19 120.64 1pgu n GLY 180 Ca -0.15 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 1.16 2.02 -1.49 1.61 1.11 -0.71 -2.15 116.67 118.23 1pgu s ASP 181 Ca 0.00 1.42 -0.07 0.00 0.18 0.00 0.00 52.55 54.08 1pgu s ASP 181 Cb 0.00 -2.12 0.02 0.00 1.07 0.00 0.00 42.92 41.89 1pgu s ASP 181 CO 0.00 -3.54 0.74 -0.67 1.18 0.00 0.00 175.17 172.88 1pgu n ASP 182 N -4.47 -5.84 -4.03 0.27 4.64 -0.28 -2.39 116.55 104.45 1pgu n ASP 182 Ca 0.05 -0.38 -0.33 0.00 -1.38 0.00 0.00 54.79 52.74 1pgu n ASP 182 Cb 0.55 -4.70 -0.02 0.00 -1.04 0.00 0.00 41.12 35.91 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 -1.60 -0.46 3.82 0.27 0.00 0.15 -4.28 105.19 103.10 1pgu n GLY 183 Ca -0.07 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.13 6.82 -0.04 1.61 1.04 -1.01 -4.46 113.70 114.53 1pgu s SER 184 Ca 0.67 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1pgu s SER 184 Cb -0.37 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.52 1pgu s SER 184 CO 0.83 0.29 0.08 -0.69 0.98 0.00 0.00 173.24 174.73 1pgu s VAL 185 N -0.93 -0.06 -0.06 5.02 1.01 -1.09 -0.95 120.40 123.35 1pgu s VAL 185 Ca 0.24 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1pgu s VAL 185 Cb -0.17 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1pgu s VAL 185 CO 0.14 0.08 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 1pgu s VAL 186 N 1.11 1.00 -0.12 2.92 1.01 -0.60 -0.70 120.40 125.01 1pgu s VAL 186 Ca -0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1pgu s VAL 186 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1pgu s VAL 186 CO -0.04 0.32 0.10 0.12 0.00 0.00 0.00 175.10 175.60 1pgu s PHE 187 N 0.67 3.46 0.15 5.22 5.36 0.43 -1.78 117.98 131.49 1pgu s PHE 187 Ca -0.13 0.40 0.06 0.00 -0.96 0.00 0.00 56.93 56.30 1pgu s PHE 187 Cb -0.15 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1pgu s PHE 187 CO 0.03 0.60 -0.13 0.71 -1.46 0.00 0.00 175.22 174.96 1pgu s TYR 188 N -0.77 1.43 0.02 10.12 1.51 0.20 -0.10 117.35 129.76 1pgu s TYR 188 Ca 0.13 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 1pgu s TYR 188 Cb -0.12 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1pgu s TYR 188 CO 0.03 0.17 -0.15 -0.65 -1.11 0.00 0.00 175.55 173.84 1pgu s GLN 189 N -3.15 1.13 0.00 -0.62 -0.21 -1.04 -1.44 119.66 114.34 1pgu s GLN 189 Ca 0.14 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1pgu s GLN 189 Cb -0.02 -1.13 0.00 0.00 1.00 0.00 0.00 33.01 32.86 1pgu s GLN 189 CO 0.03 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1pgu n GLY 190 N 2.28 -0.84 3.85 3.09 0.00 -1.26 -1.29 105.19 111.01 1pgu n GLY 190 Ca -0.16 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.07 3.83 0.13 1.61 0.04 -1.26 -4.48 135.00 133.79 1pgu s PRO 191 Ca 0.00 0.89 -0.31 0.00 0.04 0.00 0.00 61.00 61.63 1pgu s PRO 191 Cb 0.00 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1pgu s PRO 191 CO 0.00 -0.37 1.29 -2.14 0.04 0.00 0.00 177.00 175.82 1pgu s PRO 192 N -4.42 4.39 -0.07 0.56 0.02 -1.26 -5.07 135.00 129.15 1pgu s PRO 192 Ca 0.58 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 1pgu s PRO 192 Cb -0.10 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.10 1pgu s PRO 192 CO 0.38 -0.29 1.75 -0.06 -0.33 0.00 0.00 177.00 178.45 1pgu s PHE 193 N 0.71 1.79 0.03 6.54 0.40 0.30 -4.85 117.98 122.91 1pgu s PHE 193 Ca 0.59 0.13 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 1pgu s PHE 193 Cb -0.34 -4.00 -0.02 0.00 0.51 0.00 0.00 43.02 39.17 1pgu s PHE 193 CO 0.32 -4.09 -0.17 0.21 0.70 0.00 0.00 175.22 172.20 1pgu s LYS 194 N 4.38 1.16 0.17 0.44 2.47 -0.41 -0.69 119.74 127.27 1pgu s LYS 194 Ca 0.78 -0.79 -0.33 0.00 -1.56 0.00 0.00 55.97 54.08 1pgu s LYS 194 Cb -0.34 -1.20 -0.16 0.00 -1.46 0.00 0.00 37.83 34.67 1pgu s LYS 194 CO 0.32 0.31 1.10 0.34 0.16 0.00 0.00 175.35 177.58 1pgu n PHE 195 N 2.03 1.13 -0.02 4.03 7.35 -1.26 -2.48 117.46 128.24 1pgu n PHE 195 Ca -0.17 0.72 -0.03 0.00 -0.76 0.00 0.00 57.45 57.22 1pgu n PHE 195 Cb 0.54 -2.24 -0.02 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 1.93 2.68 -3.61 -2.13 2.88 0.86 -4.83 113.62 111.40 1pgu n SER 196 Ca 0.15 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.63 1pgu n SER 196 Cb 0.24 -0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.07 -2.03 0.37 -1.46 0.00 -1.08 -5.00 121.76 110.49 1pgu s ALA 197 Ca -0.05 1.74 0.08 0.00 0.00 0.00 0.00 51.96 53.73 1pgu s ALA 197 Cb 0.01 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1pgu s ALA 197 CO 0.08 -0.26 0.12 -1.54 0.00 0.00 0.00 175.76 174.15 1pgu s SER 198 N -0.93 4.42 -0.19 0.00 1.04 -1.26 -0.43 113.70 116.35 1pgu s SER 198 Ca 0.04 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.45 1pgu s SER 198 Cb -0.01 -0.57 0.10 0.00 0.10 0.00 0.00 66.02 65.64 1pgu s SER 198 CO -0.04 -0.38 0.37 -0.62 0.98 0.00 0.00 173.24 173.55 1pgu s ASP 199 N -3.83 0.05 -0.08 7.02 -1.08 0.12 -4.98 116.67 113.89 1pgu s ASP 199 Ca 0.38 0.68 0.15 0.00 -0.52 0.00 0.00 52.55 53.24 1pgu s ASP 199 Cb 0.01 1.13 0.31 0.00 -1.46 0.00 0.00 42.92 42.90 1pgu s ASP 199 CO 0.22 -0.25 1.14 0.54 0.52 0.00 0.00 175.17 177.34 1pgu n ARG 200 N 5.37 0.66 -0.03 4.34 1.74 -1.26 -2.65 116.66 124.82 1pgu n ARG 200 Ca -0.07 -2.24 -0.02 0.00 -0.77 0.00 0.00 57.85 54.75 1pgu n ARG 200 Cb 0.50 -0.81 -0.08 0.00 -1.02 0.00 0.00 32.46 31.05 1pgu n ARG 200 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pgu n THR 201 N -0.39 0.45 0.51 0.55 -2.24 -1.26 -4.65 114.28 107.26 1pgu n THR 201 Ca 0.10 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1pgu n THR 201 Cb 0.84 -0.44 0.20 0.00 -2.10 0.00 0.00 70.33 68.83 1pgu n THR 201 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pgu h HIS 202 N 0.00 0.00 -3.20 4.78 3.86 -1.90 -3.44 115.15 115.26 1pgu h HIS 202 Ca -0.18 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.42 1pgu h HIS 202 Cb 1.25 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.37 1pgu h HIS 202 CO 0.00 0.00 -0.84 -1.01 0.86 0.00 0.00 177.93 176.94 1pgu s HIS 203 N -3.18 2.20 0.18 2.45 4.02 -1.26 -4.98 115.29 114.72 1pgu s HIS 203 Ca 0.06 -1.13 -0.30 0.00 1.02 0.00 0.00 55.06 54.71 1pgu s HIS 203 Cb 0.12 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.58 29.94 1pgu s HIS 203 CO 0.70 -0.58 0.70 1.63 1.02 0.00 0.00 174.74 178.21 1pgu n LYS 204 N 4.38 0.24 -2.28 1.40 5.02 -1.26 -4.55 118.16 121.11 1pgu n LYS 204 Ca -0.19 0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1pgu n LYS 204 Cb 0.51 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1pgu n LYS 204 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1pgu s GLN 205 N -0.87 3.66 0.00 1.97 -2.07 -1.26 -2.09 119.66 119.00 1pgu s GLN 205 Ca 0.68 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.92 1pgu s GLN 205 Cb -0.95 -2.28 0.00 0.00 -1.09 0.00 0.00 33.01 28.69 1pgu s GLN 205 CO 0.56 -0.61 0.00 0.41 -1.32 0.00 0.00 175.29 174.33 1pgu n GLY 206 N 0.33 1.87 3.90 2.60 0.00 -1.26 -4.85 105.19 107.77 1pgu n GLY 206 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.37 6.29 -0.37 1.61 1.04 -0.89 -4.56 113.70 113.45 1pgu s SER 207 Ca 0.00 0.95 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 1pgu s SER 207 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1pgu s SER 207 CO 0.00 -0.56 0.25 -0.36 0.98 0.00 0.00 173.24 173.56 1pgu s PHE 208 N -2.70 3.23 -0.55 5.02 2.99 -1.26 -0.68 117.98 124.03 1pgu s PHE 208 Ca 0.48 -0.46 -0.23 0.00 0.00 0.00 0.00 56.93 56.72 1pgu s PHE 208 Cb -0.10 -2.51 0.05 0.00 0.00 0.00 0.00 43.02 40.45 1pgu s PHE 208 CO 0.44 -0.48 0.90 0.08 -0.00 0.00 0.00 175.22 176.15 1pgu s VAL 209 N 1.68 4.45 0.12 -0.44 1.01 -0.91 0.33 120.40 126.64 1pgu s VAL 209 Ca 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1pgu s VAL 209 Cb -0.18 -4.52 -0.21 0.00 0.00 0.00 0.00 36.38 31.47 1pgu s VAL 209 CO 0.10 -1.10 1.27 0.03 0.00 0.00 0.00 175.10 175.39 1pgu h ARG 210 N 9.29 0.33 -3.33 2.72 -0.00 -1.19 -3.32 114.38 118.88 1pgu h ARG 210 Ca -0.27 -0.41 -0.06 0.00 -0.50 0.00 0.00 59.98 58.74 1pgu h ARG 210 Cb 1.08 0.13 -0.14 0.00 0.00 0.00 0.00 29.97 31.04 1pgu h ARG 210 CO 1.08 1.12 -0.10 0.34 0.00 0.00 0.00 179.97 182.41 1pgu s ASP 211 N -7.08 -0.22 -0.05 7.04 2.15 -0.95 -4.41 116.67 113.14 1pgu s ASP 211 Ca -0.05 -0.26 -0.17 0.00 0.43 0.00 0.00 52.55 52.50 1pgu s ASP 211 Cb 0.08 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.19 1pgu s ASP 211 CO 0.87 -0.80 0.39 0.54 -0.17 0.00 0.00 175.17 176.00 1pgu s VAL 212 N -3.46 0.04 -0.28 1.11 0.11 -1.26 -1.38 120.40 115.27 1pgu s VAL 212 Ca 0.01 -0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 58.59 1pgu s VAL 212 Cb 0.01 -0.67 0.11 0.00 -1.53 0.00 0.00 36.38 34.30 1pgu s VAL 212 CO -0.09 -0.16 0.82 -0.70 -3.33 0.00 0.00 175.10 171.64 1pgu s GLU 213 N -0.96 0.59 0.43 1.54 2.12 -0.56 -4.67 118.70 117.18 1pgu s GLU 213 Ca -0.10 0.95 -0.22 0.00 0.36 0.00 0.00 54.97 55.97 1pgu s GLU 213 Cb -0.04 0.15 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 1pgu s GLU 213 CO 0.04 -0.11 0.98 -0.06 -0.54 0.00 0.00 175.26 175.57 1pgu s PHE 214 N 1.31 3.28 0.64 5.30 0.40 -1.26 -2.04 117.98 125.61 1pgu s PHE 214 Ca -0.08 1.62 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1pgu s PHE 214 Cb -0.05 -2.93 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 1pgu s PHE 214 CO -0.15 -0.27 1.13 -1.54 0.70 0.00 0.00 175.22 175.08 1pgu s SER 215 N -2.03 5.11 1.25 1.36 1.04 0.17 -4.92 113.70 115.68 1pgu s SER 215 Ca 0.62 2.09 -0.19 0.00 0.48 0.00 0.00 55.95 58.95 1pgu s SER 215 Cb -0.13 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.73 1pgu s SER 215 CO 0.17 -1.63 1.03 -2.84 0.98 0.00 0.00 173.24 170.95 1pgu s PRO 216 N -3.89 -1.57 6.47 4.02 0.02 -1.26 -3.00 135.00 135.80 1pgu s PRO 216 Ca 0.69 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1pgu s PRO 216 Cb -0.23 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1pgu s PRO 216 CO 0.39 -4.00 0.00 -0.25 -0.33 0.00 0.00 177.00 172.81 1pgu n ASP 217 N -5.01 0.00 -0.05 2.53 9.92 -1.26 -2.64 116.55 120.04 1pgu n ASP 217 Ca 0.10 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.51 1pgu n ASP 217 Cb 0.59 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.76 1pgu n ASP 217 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1pgu n SER 218 N 10.79 0.20 -3.76 -2.24 3.41 -1.26 -4.66 113.62 116.10 1pgu n SER 218 Ca 0.00 -0.36 -0.22 0.00 -0.26 0.00 0.00 58.87 58.03 1pgu n SER 218 Cb 0.00 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1pgu n SER 218 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgu n GLY 219 N 1.27 -0.28 0.25 5.00 0.00 -1.08 -4.86 105.19 105.50 1pgu n GLY 219 Ca 0.15 0.13 0.14 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 -1.86 0.00 -6.29 1.61 4.11 -1.83 -3.35 114.58 106.96 1pgu h GLU 220 Ca -0.61 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.22 1pgu h GLU 220 Cb 1.36 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.43 1pgu h GLU 220 CO 0.58 0.10 -0.81 -0.06 0.07 0.00 0.00 179.01 178.89 1pgu s PHE 221 N -3.63 2.05 -0.03 2.06 0.08 -1.26 0.13 117.98 117.38 1pgu s PHE 221 Ca 0.01 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1pgu s PHE 221 Cb 0.09 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1pgu s PHE 221 CO 0.59 0.40 -0.01 0.08 -0.10 0.00 0.00 175.22 176.18 1pgu s VAL 222 N -1.77 0.26 -0.00 -0.44 1.01 -0.81 -0.66 120.40 117.99 1pgu s VAL 222 Ca 0.17 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1pgu s VAL 222 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1pgu s VAL 222 CO 0.08 0.16 -0.22 -0.63 0.00 0.00 0.00 175.10 174.49 1pgu s ILE 223 N 0.98 1.72 0.03 2.22 1.01 -0.86 -0.67 121.20 125.63 1pgu s ILE 223 Ca -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.62 1pgu s ILE 223 Cb -0.14 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1pgu s ILE 223 CO -0.01 0.43 -0.20 0.42 0.00 0.00 0.00 174.94 175.57 1pgu s THR 224 N -0.58 1.63 0.03 2.92 -4.23 -0.53 -1.50 115.64 113.38 1pgu s THR 224 Ca 0.08 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1pgu s THR 224 Cb -0.08 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1pgu s THR 224 CO -0.00 0.23 -0.02 0.68 -0.54 0.00 0.00 174.62 174.97 1pgu s VAL 225 N -0.75 0.13 0.05 2.29 -7.23 -0.48 -1.29 120.40 113.12 1pgu s VAL 225 Ca 0.07 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1pgu s VAL 225 Cb -0.09 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.30 1pgu s VAL 225 CO 0.01 -0.60 0.09 0.61 -0.31 0.00 0.00 175.10 174.90 1pgu n GLY 226 N 1.25 2.18 0.20 2.32 0.00 -1.24 -0.72 105.19 109.18 1pgu n GLY 226 Ca -0.22 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.26 0.00 -0.18 1.61 4.64 -0.24 -0.84 113.55 118.79 1pgu h SER 227 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1pgu h SER 227 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1pgu h SER 227 CO 0.05 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.11 1pgu n ASP 228 N -2.53 1.25 -1.69 4.97 5.75 -1.26 -4.29 116.55 118.75 1pgu n ASP 228 Ca -0.00 -2.05 -0.11 0.00 -0.01 0.00 0.00 54.79 52.62 1pgu n ASP 228 Cb 0.14 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1pgu n ASP 228 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1pgu n ARG 229 N 0.07 -1.60 -3.65 0.11 1.85 -0.42 -4.95 116.66 108.07 1pgu n ARG 229 Ca 0.06 0.58 -0.36 0.00 -1.00 0.00 0.00 57.85 57.14 1pgu n ARG 229 Cb 0.23 -4.91 -0.06 0.00 -1.05 0.00 0.00 32.46 26.67 1pgu n ARG 229 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1pgu s LYS 230 N -3.60 3.70 -0.35 2.89 -0.14 -1.26 -4.85 119.74 116.13 1pgu s LYS 230 Ca 0.00 0.11 -0.02 0.00 -1.36 0.00 0.00 55.97 54.71 1pgu s LYS 230 Cb 0.00 -3.10 0.08 0.00 -1.68 0.00 0.00 37.83 33.13 1pgu s LYS 230 CO 0.00 0.65 0.10 0.42 -0.76 0.00 0.00 175.35 175.75 1pgu s ILE 231 N -1.25 3.05 -0.15 2.17 1.01 -1.26 -3.71 121.20 121.05 1pgu s ILE 231 Ca 0.27 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.99 1pgu s ILE 231 Cb -0.14 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1pgu s ILE 231 CO 0.15 -0.42 0.31 -0.44 0.00 0.00 0.00 174.94 174.54 1pgu s SER 232 N 1.47 6.47 -0.20 3.58 0.01 -0.41 -0.31 113.70 124.30 1pgu s SER 232 Ca 0.03 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 1pgu s SER 232 Cb -0.21 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 1pgu s SER 232 CO -0.03 0.09 -0.09 0.00 0.41 0.00 0.00 173.24 173.62 1pgu s PHE 234 N 1.30 2.56 0.06 0.00 0.40 0.16 -0.61 117.98 121.85 1pgu s PHE 234 Ca 0.04 -0.59 -0.30 0.00 -0.60 0.00 0.00 56.93 55.48 1pgu s PHE 234 Cb -0.14 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1pgu s PHE 234 CO -0.04 0.35 1.03 0.34 0.70 0.00 0.00 175.22 177.59 1pgu s ASP 235 N -3.79 7.34 0.42 1.36 2.15 0.36 -1.93 116.67 122.57 1pgu s ASP 235 Ca 0.38 1.81 0.29 0.00 0.43 0.00 0.00 52.55 55.46 1pgu s ASP 235 Cb 0.05 -2.58 1.36 0.00 -0.30 0.00 0.00 42.92 41.45 1pgu s ASP 235 CO 0.20 -0.24 1.88 1.23 -0.17 0.00 0.00 175.17 178.07 1pgu h GLY 236 N 6.27 0.00 0.00 2.66 0.00 0.92 -0.76 103.07 112.16 1pgu h GLY 236 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.66 1pgu h GLY 236 CO 0.75 0.00 -1.92 1.17 0.00 0.00 0.00 176.54 176.54 1pgu n LYS 237 N -2.60 0.38 0.07 4.80 4.81 -1.26 -4.69 118.16 119.67 1pgu n LYS 237 Ca 0.00 0.11 0.07 0.00 -0.87 0.00 0.00 58.31 57.62 1pgu n LYS 237 Cb 0.18 -1.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 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 -3.22 0.83 0.00 3.14 3.41 -1.25 -4.97 113.62 111.56 1pgu n SER 238 Ca -0.30 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1pgu n SER 238 Cb 0.78 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 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 1.27 0.83 3.77 5.00 0.00 -0.29 -4.98 105.19 110.80 1pgu n GLY 239 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.08 3.49 0.04 1.61 2.12 -1.26 -4.56 118.70 120.06 1pgu s GLU 240 Ca 0.00 1.67 -0.30 0.00 0.36 0.00 0.00 54.97 56.69 1pgu s GLU 240 Cb 0.00 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 1pgu s GLU 240 CO 0.00 -0.75 1.19 0.12 -0.54 0.00 0.00 175.26 175.28 1pgu s PHE 241 N -1.69 3.40 -0.26 5.30 2.19 -1.26 -0.49 117.98 125.17 1pgu s PHE 241 Ca 0.70 1.30 -0.07 0.00 0.33 0.00 0.00 56.93 59.19 1pgu s PHE 241 Cb -0.25 -3.40 -0.15 0.00 -1.31 0.00 0.00 43.02 37.90 1pgu s PHE 241 CO 0.29 -1.22 -0.26 1.28 1.83 0.00 0.00 175.22 177.15 1pgu n LEU 242 N 4.17 2.42 0.00 6.12 4.32 0.22 -4.91 117.00 129.33 1pgu n LEU 242 Ca 0.09 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1pgu n LEU 242 Cb 0.47 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1pgu n LEU 242 CO 0.55 0.73 0.00 2.29 -1.22 0.00 0.00 177.39 179.74 1pgu n LYS 243 N -3.81 0.00 -3.35 3.23 2.85 -1.08 -5.05 118.16 110.96 1pgu n LYS 243 Ca -0.49 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.43 1pgu n LYS 243 Cb 0.93 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.25 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 3.52 -0.42 5.58 4.12 -1.26 -1.25 117.35 125.64 1pgu s TYR 244 Ca 0.00 1.02 -0.18 0.00 0.02 0.00 0.00 57.07 57.94 1pgu s TYR 244 Cb 0.00 -2.36 0.02 0.00 -1.52 0.00 0.00 41.96 38.10 1pgu s TYR 244 CO 0.00 0.33 0.45 0.42 0.02 0.00 0.00 175.55 176.78 1pgu s ILE 245 N -1.65 5.07 -0.03 2.71 1.01 0.58 -4.92 121.20 123.97 1pgu s ILE 245 Ca 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.75 1pgu s ILE 245 Cb -0.13 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1pgu s ILE 245 CO 0.20 -0.42 0.13 -1.83 0.00 0.00 0.00 174.94 173.01 1pgu s GLU 246 N 2.20 0.26 -0.19 2.79 -1.05 -1.26 -4.48 118.70 116.97 1pgu s GLU 246 Ca 0.13 -0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1pgu s GLU 246 Cb -0.17 0.11 0.05 0.00 -0.44 0.00 0.00 34.13 33.69 1pgu s GLU 246 CO 0.14 -0.05 -0.04 0.34 0.95 0.00 0.00 175.26 176.60 1pgu s ASP 247 N -0.44 3.14 0.42 0.83 3.68 -1.25 -4.72 116.67 118.33 1pgu s ASP 247 Ca -0.05 -0.83 0.25 0.00 2.13 0.00 0.00 52.55 54.05 1pgu s ASP 247 Cb -0.03 -0.95 1.37 0.00 -1.45 0.00 0.00 42.92 41.86 1pgu s ASP 247 CO 0.00 -0.22 1.75 -2.24 0.13 0.00 0.00 175.17 174.60 1pgu h ASP 248 N 8.09 0.00 0.29 -0.34 -0.00 -2.00 0.40 116.42 122.86 1pgu h ASP 248 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.82 1pgu h ASP 248 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.43 1pgu h ASP 248 CO 0.40 0.00 -0.41 0.00 -0.00 0.00 0.00 179.24 179.22 1pgu n GLN 249 N -2.43 0.51 -3.42 4.15 1.13 -1.26 -4.60 117.38 111.45 1pgu n GLN 249 Ca -0.02 -0.32 -0.28 0.00 -1.94 0.00 0.00 57.00 54.44 1pgu n GLN 249 Cb 0.13 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.88 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 -2.71 0.68 0.26 -1.09 0.41 0.14 -5.11 118.70 111.28 1pgu s GLU 250 Ca 0.18 -1.59 -0.28 0.00 -0.41 0.00 0.00 54.97 52.87 1pgu s GLU 250 Cb 0.18 -1.30 -0.09 0.00 -1.78 0.00 0.00 34.13 31.14 1pgu s GLU 250 CO 0.61 -1.28 0.92 -2.14 -0.49 0.00 0.00 175.26 172.88 1pgu s PRO 251 N 0.72 4.71 -0.22 0.39 0.02 -1.25 -4.32 135.00 135.05 1pgu s PRO 251 Ca 0.24 1.37 -0.28 0.00 0.02 0.00 0.00 61.00 62.35 1pgu s PRO 251 Cb -0.13 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1pgu s PRO 251 CO -0.07 0.43 0.97 0.08 -0.33 0.00 0.00 177.00 178.08 1pgu s VAL 252 N -1.35 4.74 -1.66 3.83 1.01 -1.26 -4.92 120.40 120.78 1pgu s VAL 252 Ca 0.44 1.89 0.22 0.00 0.00 0.00 0.00 61.98 64.54 1pgu s VAL 252 Cb -0.23 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1pgu s VAL 252 CO 0.28 -0.12 1.08 0.00 0.00 0.00 0.00 175.10 176.33 1pgu n GLN 253 N 6.04 0.77 -4.10 2.72 6.02 -1.26 -4.98 117.38 122.59 1pgu n GLN 253 Ca 0.10 -0.62 -0.10 0.00 -0.01 0.00 0.00 57.00 56.36 1pgu n GLN 253 Cb 0.47 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.66 0.57 0.31 1.08 0.00 -1.26 -4.84 107.32 100.52 1pgu s GLY 254 Ca 0.15 -1.07 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 1pgu s GLY 254 CO 0.66 -1.16 1.29 0.61 0.00 0.00 0.00 173.10 174.50 1pgu n GLY 255 N 0.59 0.54 3.81 0.20 0.00 -1.26 -4.51 105.19 104.56 1pgu n GLY 255 Ca -0.17 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.83 4.73 -0.17 -0.61 1.01 -0.62 -0.52 121.20 124.19 1pgu s ILE 256 Ca 0.59 1.24 0.10 0.00 0.00 0.00 0.00 60.65 62.57 1pgu s ILE 256 Cb -0.60 -3.91 -0.17 0.00 0.01 0.00 0.00 42.46 37.78 1pgu s ILE 256 CO 0.59 0.55 -0.03 0.49 0.00 0.00 0.00 174.94 176.54 1pgu n PHE 257 N 1.73 0.00 -3.53 3.97 3.72 0.14 -3.92 117.46 119.56 1pgu n PHE 257 Ca -0.10 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.21 1pgu n PHE 257 Cb 0.51 -0.78 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 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 -2.39 -1.69 0.19 4.37 0.00 -1.08 -4.26 121.76 116.90 1pgu s ALA 258 Ca -0.15 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1pgu s ALA 258 Cb 0.06 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1pgu s ALA 258 CO 0.59 -0.78 0.06 -0.48 0.00 0.00 0.00 175.76 175.15 1pgu s LEU 259 N -2.66 1.73 -0.29 0.00 2.34 -1.26 -1.09 118.68 117.46 1pgu s LEU 259 Ca 0.05 -1.28 -0.15 0.00 0.06 0.00 0.00 54.13 52.81 1pgu s LEU 259 Cb -0.01 0.11 0.13 0.00 -0.56 0.00 0.00 46.19 45.86 1pgu s LEU 259 CO -0.08 -0.70 0.87 -0.55 -1.06 0.00 0.00 176.35 174.84 1pgu s SER 260 N -3.19 -0.71 0.17 1.48 0.15 -0.55 -4.86 113.70 106.20 1pgu s SER 260 Ca 0.31 1.06 -0.30 0.00 0.70 0.00 0.00 55.95 57.72 1pgu s SER 260 Cb 0.07 1.50 -0.07 0.00 -1.71 0.00 0.00 66.02 65.81 1pgu s SER 260 CO 0.08 -0.16 1.05 0.26 1.20 0.00 0.00 173.24 175.67 1pgu s TRP 261 N 1.88 3.68 -0.05 3.44 0.52 -1.26 -0.45 118.94 126.69 1pgu s TRP 261 Ca -0.07 1.68 0.13 0.00 0.02 0.00 0.00 56.10 57.86 1pgu s TRP 261 Cb -0.06 -3.19 -0.17 0.00 -1.15 0.00 0.00 33.47 28.90 1pgu s TRP 261 CO -0.17 -0.31 0.87 -0.07 0.02 0.00 0.00 176.95 177.29 1pgu h LEU 262 N 5.12 0.00 0.00 2.99 3.38 -1.04 -3.42 115.31 122.34 1pgu h LEU 262 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1pgu h LEU 262 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1pgu h LEU 262 CO 0.72 0.82 0.00 -0.90 0.09 0.00 0.00 178.44 179.17 1pgu n ASP 263 N -3.05 0.00 0.02 -0.43 3.85 -1.12 -4.74 116.55 111.09 1pgu n ASP 263 Ca -0.10 -0.42 0.10 0.00 -0.71 0.00 0.00 54.79 53.65 1pgu n ASP 263 Cb 0.94 0.00 0.42 0.00 -1.35 0.00 0.00 41.12 41.13 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 -0.31 0.14 -0.01 -1.12 3.41 -1.26 -3.75 113.62 110.72 1pgu n SER 264 Ca 0.00 0.53 -0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1pgu n SER 264 Cb 0.00 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.64 2.00 -4.79 4.33 1.13 -1.26 -4.86 117.38 112.29 1pgu n GLN 265 Ca 0.04 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.80 1pgu n GLN 265 Cb 0.24 -1.05 -0.14 0.00 0.11 0.00 0.00 30.24 29.40 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 -2.09 1.67 0.03 -1.09 1.02 -1.25 -1.09 119.74 116.95 1pgu s LYS 266 Ca -0.01 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 1pgu s LYS 266 Cb 0.01 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1pgu s LYS 266 CO 0.08 0.48 0.23 -0.59 -0.92 0.00 0.00 175.35 174.63 1pgu s PHE 267 N -0.85 -0.02 0.02 3.18 -0.12 -0.75 -0.33 117.98 119.11 1pgu s PHE 267 Ca 0.11 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1pgu s PHE 267 Cb -0.10 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 1pgu s PHE 267 CO 0.03 -0.42 0.03 0.00 -0.05 0.00 0.00 175.22 174.80 1pgu s ALA 268 N -2.22 3.39 0.11 1.99 0.00 0.40 -0.14 121.76 125.28 1pgu s ALA 268 Ca -0.08 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.01 1pgu s ALA 268 Cb -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1pgu s ALA 268 CO -0.02 0.68 -0.22 0.95 0.00 0.00 0.00 175.76 177.15 1pgu s THR 269 N -1.18 1.85 -0.00 0.00 -4.23 0.06 -1.48 115.64 110.66 1pgu s THR 269 Ca 0.22 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1pgu s THR 269 Cb -0.12 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1pgu s THR 269 CO 0.14 -0.02 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.49 1pgu s VAL 270 N -1.13 0.16 0.14 2.29 1.01 -0.25 -1.72 120.40 120.90 1pgu s VAL 270 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1pgu s VAL 270 Cb -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1pgu s VAL 270 CO 0.05 0.05 0.22 0.61 0.00 0.00 0.00 175.10 176.03 1pgu n GLY 271 N 3.10 2.37 0.01 4.51 0.00 -1.21 0.24 105.19 114.21 1pgu n GLY 271 Ca -0.13 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.10 1.17 -0.14 4.61 0.00 0.32 -2.07 120.51 122.31 1pgu n ALA 272 Ca -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1pgu n ALA 272 Cb 0.23 -1.07 0.22 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.54 3.73 -4.27 0.00 5.75 -1.26 -4.73 116.55 114.23 1pgu n ASP 273 Ca 0.01 -2.60 -0.36 0.00 -0.01 0.00 0.00 54.79 51.83 1pgu n ASP 273 Cb 0.04 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.47 1pgu n ASP 273 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pgu n ALA 274 N 0.24 -1.43 -2.98 2.12 0.00 -0.95 -4.86 120.51 112.66 1pgu n ALA 274 Ca 0.19 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1pgu n ALA 274 Cb 0.86 -2.71 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 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 -3.49 1.01 -0.22 0.00 2.01 -1.26 -2.00 115.64 111.69 1pgu s THR 275 Ca 0.59 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1pgu s THR 275 Cb -0.33 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1pgu s THR 275 CO 0.95 0.30 0.05 -0.63 -0.69 0.00 0.00 174.62 174.61 1pgu s ILE 276 N 0.13 4.30 0.03 1.82 1.09 0.15 -3.72 121.20 125.01 1pgu s ILE 276 Ca -0.03 -0.19 0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1pgu s ILE 276 Cb -0.09 -2.98 -0.02 0.00 -1.06 0.00 0.00 42.46 38.30 1pgu s ILE 276 CO 0.01 0.39 -0.22 -0.13 -0.10 0.00 0.00 174.94 174.88 1pgu s ARG 277 N 1.18 1.58 -0.17 2.79 0.52 -0.70 -1.12 118.95 123.04 1pgu s ARG 277 Ca 0.04 -0.95 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1pgu s ARG 277 Cb -0.14 -1.68 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 1pgu s ARG 277 CO 0.03 0.44 -0.10 0.08 0.02 0.00 0.00 175.30 175.77 1pgu s VAL 278 N -0.74 3.13 0.20 3.52 1.01 0.44 -0.76 120.40 127.20 1pgu s VAL 278 Ca 0.09 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1pgu s VAL 278 Cb -0.09 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1pgu s VAL 278 CO 0.01 0.48 -0.04 0.26 0.00 0.00 0.00 175.10 175.82 1pgu s TRP 279 N 0.89 2.72 -0.24 5.22 0.52 0.80 -1.65 118.94 127.19 1pgu s TRP 279 Ca -0.02 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 1pgu s TRP 279 Cb -0.15 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 1pgu s TRP 279 CO 0.00 0.55 -0.05 0.34 0.02 0.00 0.00 176.95 177.80 1pgu s ASP 280 N -3.12 4.31 0.24 2.95 -1.08 -0.87 -1.81 116.67 117.29 1pgu s ASP 280 Ca 0.28 -0.77 -0.06 0.00 -0.52 0.00 0.00 52.55 51.47 1pgu s ASP 280 Cb -0.08 -1.68 0.29 0.00 -1.46 0.00 0.00 42.92 39.99 1pgu s ASP 280 CO 0.18 -0.11 1.88 -0.37 0.52 0.00 0.00 175.17 177.26 1pgu h VAL 281 N 6.04 1.12 -0.15 1.11 -1.51 -1.45 0.42 116.25 121.83 1pgu h VAL 281 Ca -0.35 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1pgu h VAL 281 Cb 1.12 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1pgu h VAL 281 CO 0.58 0.20 0.03 0.74 -1.23 0.00 0.00 177.57 177.89 1pgu h THR 282 N 1.08 1.22 0.00 7.19 2.02 -1.96 -3.24 112.91 119.21 1pgu h THR 282 Ca 0.36 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1pgu h THR 282 Cb 0.05 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1pgu h THR 282 CO -0.13 0.20 -0.71 0.71 0.37 0.00 0.00 175.52 175.96 1pgu h THR 283 N 0.02 0.00 -0.59 3.16 1.35 -1.94 -3.47 112.91 111.44 1pgu h THR 283 Ca 0.04 -0.66 -0.25 0.00 -0.55 0.00 0.00 66.41 64.99 1pgu h THR 283 Cb 0.29 1.23 -0.10 0.00 -1.73 0.00 0.00 68.15 67.84 1pgu h THR 283 CO 0.00 0.00 -0.23 -0.24 -0.25 0.00 0.00 175.52 174.80 1pgu n SER 284 N -2.31 -4.98 -4.91 5.36 2.88 0.15 -4.98 113.62 104.82 1pgu n SER 284 Ca 0.02 0.31 -0.31 0.00 -1.33 0.00 0.00 58.87 57.56 1pgu n SER 284 Cb 0.47 -3.58 -0.04 0.00 -0.75 0.00 0.00 64.21 60.31 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 -2.95 3.54 -0.55 -1.46 -0.14 -1.23 -3.74 119.74 113.22 1pgu s LYS 285 Ca 0.00 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.14 1pgu s LYS 285 Cb 0.00 -2.92 0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1pgu s LYS 285 CO 0.00 0.51 0.79 0.00 -0.76 0.00 0.00 175.35 175.90 1pgu n VAL 287 N 5.87 0.40 -3.54 0.00 0.24 -0.66 -4.90 118.33 115.74 1pgu n VAL 287 Ca -0.03 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.34 61.88 1pgu n VAL 287 Cb 0.46 -0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 1pgu n VAL 287 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1pgu s GLN 288 N -3.09 0.99 0.04 7.34 2.00 -1.21 -5.00 119.66 120.73 1pgu s GLN 288 Ca 0.10 0.32 -0.25 0.00 -2.00 0.00 0.00 55.36 53.54 1pgu s GLN 288 Cb 0.14 0.47 0.06 0.00 0.80 0.00 0.00 33.01 34.48 1pgu s GLN 288 CO 0.62 -0.29 0.57 -1.59 -0.50 0.00 0.00 175.29 174.10 1pgu s LYS 289 N -1.02 1.08 0.02 1.67 -2.85 -1.26 -0.42 119.74 116.97 1pgu s LYS 289 Ca -0.09 -0.14 0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1pgu s LYS 289 Cb -0.01 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1pgu s LYS 289 CO 0.08 -0.39 -0.05 -1.58 0.10 0.00 0.00 175.35 173.51 1pgu s TRP 290 N -2.32 0.41 0.16 1.78 0.51 -0.27 -4.98 118.94 114.22 1pgu s TRP 290 Ca -0.06 -0.38 0.04 0.00 -2.12 0.00 0.00 56.10 53.58 1pgu s TRP 290 Cb -0.01 -0.26 -0.05 0.00 -0.81 0.00 0.00 33.47 32.35 1pgu s TRP 290 CO -0.00 -0.10 -0.07 0.95 -0.51 0.00 0.00 176.95 177.22 1pgu s THR 291 N -1.02 1.03 0.21 2.01 -4.23 -1.26 -0.67 115.64 111.70 1pgu s THR 291 Ca -0.09 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1pgu s THR 291 Cb -0.07 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1pgu s THR 291 CO -0.00 -0.67 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.59 1pgu s LEU 292 N -3.17 2.40 -0.09 4.79 1.02 -0.85 -5.03 118.68 117.74 1pgu s LEU 292 Ca 0.19 -1.12 -0.30 0.00 0.02 0.00 0.00 54.13 52.91 1pgu s LEU 292 Cb 0.04 -0.42 -0.08 0.00 0.02 0.00 0.00 46.19 45.75 1pgu s LEU 292 CO 0.02 -0.38 2.06 -0.67 0.02 0.00 0.00 176.35 177.40 1pgu n ASP 293 N -0.37 3.63 0.28 2.29 -0.08 -1.26 -4.85 116.55 116.19 1pgu n ASP 293 Ca -0.07 0.65 0.18 0.00 -1.51 0.00 0.00 54.79 54.04 1pgu n ASP 293 Cb 0.62 -1.50 0.80 0.00 2.34 0.00 0.00 41.12 43.39 1pgu n ASP 293 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1pgu h LYS 294 N 11.99 0.00 0.00 -0.67 1.57 -1.91 -3.00 116.57 124.55 1pgu h LYS 294 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pgu h LYS 294 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pgu h LYS 294 CO 0.95 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.87 1pgu n GLN 295 N -3.03 0.35 -3.85 3.15 6.02 -1.26 -4.56 117.38 114.20 1pgu n GLN 295 Ca -0.00 0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.71 1pgu n GLN 295 Cb 0.24 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.46 2.59 0.31 -1.09 -0.21 -1.14 -4.99 119.66 112.68 1pgu s GLN 296 Ca 0.21 -1.17 0.08 0.00 0.02 0.00 0.00 55.36 54.50 1pgu s GLN 296 Cb 0.13 -3.27 0.88 0.00 1.00 0.00 0.00 33.01 31.76 1pgu s GLN 296 CO 0.29 -0.60 1.66 1.25 -2.12 0.00 0.00 175.29 175.77 1pgu h LEU 297 N 8.09 0.24 -1.32 2.90 5.85 -1.89 0.14 115.31 129.32 1pgu h LEU 297 Ca -0.24 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1pgu h LEU 297 Cb 1.08 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1pgu h LEU 297 CO 0.56 -0.14 0.00 1.23 -0.34 0.00 0.00 178.44 179.75 1pgu h GLY 298 N 0.27 0.00 1.36 3.75 0.00 -1.94 -2.68 103.07 103.84 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 -0.63 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.61 1pgu n ASN 299 N -2.32 0.00 -4.76 0.19 3.02 0.47 -1.94 115.26 109.93 1pgu n ASN 299 Ca -0.01 -0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 53.68 1pgu n ASN 299 Cb 0.09 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.36 4.17 -0.34 3.52 -0.21 -1.01 -4.29 119.66 119.13 1pgu s GLN 300 Ca 0.35 2.48 -0.17 0.00 0.02 0.00 0.00 55.36 58.05 1pgu s GLN 300 Cb 0.21 -3.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.19 1pgu s GLN 300 CO 0.42 -0.50 0.46 -0.65 -2.12 0.00 0.00 175.29 172.91 1pgu s GLN 301 N -1.31 3.62 0.00 2.91 -1.52 -0.88 0.60 119.66 123.09 1pgu s GLN 301 Ca 0.56 -0.22 0.14 0.00 -1.95 0.00 0.00 55.36 53.89 1pgu s GLN 301 Cb -0.45 -3.80 0.10 0.00 -0.22 0.00 0.00 33.01 28.64 1pgu s GLN 301 CO 0.54 -0.59 0.92 1.33 -0.25 0.00 0.00 175.29 177.24 1pgu n VAL 302 N 5.36 0.00 -3.53 1.09 0.24 0.67 -3.32 118.33 118.84 1pgu n VAL 302 Ca -0.06 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1pgu n VAL 302 Cb 0.49 1.28 -0.04 0.00 -1.47 0.00 0.00 33.84 34.09 1pgu n VAL 302 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pgu s GLY 303 N -1.22 -0.43 0.01 7.63 0.00 -1.19 -1.69 107.32 110.43 1pgu s GLY 303 Ca 0.16 1.47 -0.24 0.00 0.00 0.00 0.00 44.72 46.10 1pgu s GLY 303 CO 0.19 0.77 0.55 0.54 0.00 0.00 0.00 173.10 175.15 1pgu s VAL 304 N -1.84 0.02 -0.20 1.40 0.11 -1.26 0.49 120.40 119.12 1pgu s VAL 304 Ca -0.02 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 1pgu s VAL 304 Cb -0.01 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1pgu s VAL 304 CO -0.00 -0.10 0.49 0.54 -3.33 0.00 0.00 175.10 172.70 1pgu s VAL 305 N -1.90 -0.02 0.05 2.04 0.11 -0.10 -4.67 120.40 115.91 1pgu s VAL 305 Ca -0.08 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 1pgu s VAL 305 Cb -0.01 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1pgu s VAL 305 CO 0.03 0.02 0.96 0.00 -3.33 0.00 0.00 175.10 172.78 1pgu s ALA 306 N 1.31 3.21 -0.31 1.54 0.00 -1.26 -0.88 121.76 125.37 1pgu s ALA 306 Ca -0.08 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1pgu s ALA 306 Cb -0.07 -3.29 0.49 0.00 0.00 0.00 0.00 23.12 20.25 1pgu s ALA 306 CO -0.13 -0.13 1.44 0.25 0.00 0.00 0.00 175.76 177.19 1pgu n THR 307 N 3.36 2.59 0.00 0.00 -2.24 -0.22 -4.88 114.28 112.88 1pgu n THR 307 Ca 0.04 -3.05 0.00 0.00 -2.27 0.00 0.00 64.05 58.77 1pgu n THR 307 Cb 0.50 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.05 -2.55 3.90 3.38 0.00 -1.26 -4.75 105.19 102.85 1pgu n GLY 308 Ca 0.35 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.27 -3.73 0.00 1.61 3.02 -1.26 -1.95 115.26 111.69 1pgu n ASN 309 Ca 0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1pgu n ASN 309 Cb 0.00 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.67 1.93 3.80 7.41 0.00 -1.26 -4.90 105.19 110.50 1pgu n GLY 310 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.09 4.45 -0.02 1.61 0.52 -0.82 -0.78 118.95 123.82 1pgu s ARG 311 Ca 0.00 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.38 1pgu s ARG 311 Cb 0.00 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1pgu s ARG 311 CO 0.00 0.26 0.06 0.42 0.02 0.00 0.00 175.30 176.05 1pgu s ILE 312 N -1.69 -0.01 -0.17 1.52 1.01 -0.33 -1.06 121.20 120.47 1pgu s ILE 312 Ca 0.50 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1pgu s ILE 312 Cb -0.17 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1pgu s ILE 312 CO 0.22 0.02 -0.16 -0.63 0.00 0.00 0.00 174.94 174.39 1pgu s ILE 313 N 0.31 2.54 0.00 2.92 1.01 -0.06 -0.97 121.20 126.95 1pgu s ILE 313 Ca -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1pgu s ILE 313 Cb -0.03 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1pgu s ILE 313 CO -0.01 0.51 -0.09 -0.55 0.00 0.00 0.00 174.94 174.80 1pgu s SER 314 N 1.07 4.43 -0.23 3.58 0.15 -0.03 -0.92 113.70 121.75 1pgu s SER 314 Ca -0.00 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 1pgu s SER 314 Cb -0.14 -0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1pgu s SER 314 CO -0.05 0.29 0.01 -0.22 1.20 0.00 0.00 173.24 174.47 1pgu s LEU 315 N -1.32 3.18 0.56 3.45 2.96 0.18 0.26 118.68 127.95 1pgu s LEU 315 Ca 0.16 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1pgu s LEU 315 Cb -0.11 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1pgu s LEU 315 CO 0.06 -0.01 0.93 -0.44 -1.32 0.00 0.00 176.35 175.58 1pgu s SER 316 N 1.41 6.29 0.47 3.68 0.01 -0.22 -0.24 113.70 125.10 1pgu s SER 316 Ca 0.05 1.26 0.16 0.00 1.31 0.00 0.00 55.95 58.72 1pgu s SER 316 Cb -0.15 -2.39 1.11 0.00 0.21 0.00 0.00 66.02 64.80 1pgu s SER 316 CO 0.01 -0.73 2.04 0.25 0.41 0.00 0.00 173.24 175.22 1pgu h LEU 317 N 0.04 0.00 -0.08 2.44 5.85 0.85 -1.06 115.31 123.35 1pgu h LEU 317 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 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 0.62 0.13 0.00 -0.90 -0.34 0.00 0.00 178.44 177.95 1pgu n ASP 318 N -4.35 0.08 0.00 1.25 5.68 -0.85 -4.83 116.55 113.53 1pgu n ASP 318 Ca -0.03 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1pgu n ASP 318 Cb 0.20 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 0.45 1.50 3.77 6.12 0.00 -0.40 -4.87 105.19 111.75 1pgu n GLY 319 Ca 0.00 0.00 -0.38 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 -3.27 3.66 -0.23 2.61 2.01 -1.26 -4.32 115.64 114.83 1pgu s THR 320 Ca 0.00 1.44 -0.10 0.00 0.31 0.00 0.00 61.69 63.34 1pgu s THR 320 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1pgu s THR 320 CO 0.00 0.17 0.15 -0.76 -0.69 0.00 0.00 174.62 173.49 1pgu s LEU 321 N -2.10 4.08 -0.20 4.42 2.01 -0.13 -1.06 118.68 125.69 1pgu s LEU 321 Ca 0.52 0.11 -0.05 0.00 0.01 0.00 0.00 54.13 54.72 1pgu s LEU 321 Cb -0.26 -2.09 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 1pgu s LEU 321 CO 0.33 0.08 -0.01 0.20 1.01 0.00 0.00 176.35 177.95 1pgu s ASN 322 N 0.97 4.68 -0.30 2.29 0.01 0.14 -1.40 114.94 121.32 1pgu s ASN 322 Ca 0.07 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.84 1pgu s ASN 322 Cb -0.13 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 1pgu s ASN 322 CO 0.04 0.05 0.29 -0.36 -1.51 0.00 0.00 177.10 175.60 1pgu s PHE 323 N 1.09 3.23 0.32 2.20 0.40 -0.19 -0.85 117.98 124.17 1pgu s PHE 323 Ca 0.02 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.56 1pgu s PHE 323 Cb -0.14 -2.51 -0.06 0.00 0.51 0.00 0.00 43.02 40.81 1pgu s PHE 323 CO 0.01 -0.26 -0.05 0.71 0.70 0.00 0.00 175.22 176.33 1pgu s TYR 324 N 1.91 2.14 -0.16 0.36 1.51 -0.14 0.53 117.35 123.49 1pgu s TYR 324 Ca 0.10 -0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1pgu s TYR 324 Cb -0.16 -1.27 0.08 0.00 -0.11 0.00 0.00 41.96 40.49 1pgu s TYR 324 CO 0.11 0.35 0.34 -2.00 -1.11 0.00 0.00 175.55 173.24 1pgu s GLU 325 N -3.71 0.24 0.08 -0.62 2.12 -1.26 -1.19 118.70 114.36 1pgu s GLU 325 Ca 0.32 0.89 -0.37 0.00 0.36 0.00 0.00 54.97 56.16 1pgu s GLU 325 Cb 0.05 0.15 -0.17 0.00 0.26 0.00 0.00 34.13 34.41 1pgu s GLU 325 CO 0.14 -0.26 1.31 -0.11 -0.54 0.00 0.00 175.26 175.79 1pgu n LEU 326 N 5.33 1.47 0.00 2.70 0.00 0.04 -1.30 117.00 125.25 1pgu n LEU 326 Ca -0.08 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.06 1pgu n LEU 326 Cb 0.50 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1pgu n LEU 326 CO 0.02 -1.14 0.00 0.61 0.00 0.00 0.00 177.39 176.87 1pgu n GLY 327 N 2.40 1.41 3.19 -3.96 0.00 -1.26 -4.98 105.19 101.99 1pgu n GLY 327 Ca 0.18 0.00 -0.34 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 -2.39 2.97 -2.00 1.61 5.65 -0.42 -5.00 115.29 115.70 1pgu s HIS 328 Ca 0.00 -1.49 0.21 0.00 0.25 0.00 0.00 55.06 54.03 1pgu s HIS 328 Cb 0.00 -2.02 1.27 0.00 -1.18 0.00 0.00 32.58 30.65 1pgu s HIS 328 CO 0.00 -0.72 1.72 -0.25 -0.65 0.00 0.00 174.74 174.83 1pgu n ASP 329 N 4.67 0.00 -4.32 9.88 8.00 -1.26 -4.57 116.55 128.95 1pgu n ASP 329 Ca -0.18 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.03 1pgu n ASP 329 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.44 1pgu n ASP 329 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pgu s GLU 330 N -2.00 1.69 0.37 -1.24 2.02 -1.26 -4.96 118.70 113.33 1pgu s GLU 330 Ca 0.32 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.95 1pgu s GLU 330 Cb 0.15 -1.86 -0.11 0.00 0.10 0.00 0.00 34.13 32.41 1pgu s GLU 330 CO 0.25 0.48 1.43 0.54 0.02 0.00 0.00 175.26 177.97 1pgu s VAL 331 N -0.81 2.25 -0.05 2.63 0.11 -1.26 -4.75 120.40 118.53 1pgu s VAL 331 Ca 0.11 0.25 -0.23 0.00 -2.93 0.00 0.00 61.98 59.18 1pgu s VAL 331 Cb -0.10 -3.16 -0.25 0.00 -1.53 0.00 0.00 36.38 31.34 1pgu s VAL 331 CO 0.02 0.06 0.99 -0.07 -3.33 0.00 0.00 175.10 172.77 1pgu h LEU 332 N 3.06 0.31 -7.37 2.54 3.38 -0.28 -3.49 115.31 113.46 1pgu h LEU 332 Ca -0.50 -0.83 0.15 0.00 0.09 0.00 0.00 57.88 56.79 1pgu h LEU 332 Cb 1.24 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1pgu h LEU 332 CO 0.64 1.11 0.50 -1.59 0.09 0.00 0.00 178.44 179.19 1pgu s LYS 333 N -2.90 1.02 -0.02 1.13 -2.85 -1.23 -5.02 119.74 109.88 1pgu s LYS 333 Ca -0.15 -0.50 0.03 0.00 -1.00 0.00 0.00 55.97 54.35 1pgu s LYS 333 Cb 0.01 0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1pgu s LYS 333 CO 0.77 -0.46 -0.10 -0.08 0.10 0.00 0.00 175.35 175.58 1pgu s THR 334 N -3.19 0.84 -0.18 3.79 -1.32 -1.26 -1.03 115.64 113.30 1pgu s THR 334 Ca 0.09 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1pgu s THR 334 Cb -0.01 -0.73 0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1pgu s THR 334 CO -0.03 0.25 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.85 1pgu s ILE 335 N -0.02 1.82 0.43 5.08 1.01 -0.50 -4.98 121.20 124.04 1pgu s ILE 335 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.84 1pgu s ILE 335 Cb -0.07 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1pgu s ILE 335 CO 0.00 0.42 0.14 -0.44 0.00 0.00 0.00 174.94 175.05 1pgu s SER 336 N 1.37 4.27 0.00 3.58 0.01 -1.26 -0.96 113.70 120.71 1pgu s SER 336 Ca 0.03 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1pgu s SER 336 Cb -0.14 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1pgu s SER 336 CO -0.11 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1pgu n GLY 337 N -1.20 -0.97 3.90 3.44 0.00 -1.26 -4.97 105.19 104.13 1pgu n GLY 337 Ca -0.04 -1.11 -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 3.47 -0.00 1.61 3.76 -1.26 -4.73 115.29 115.13 1pgu s HIS 338 Ca 0.00 0.69 0.01 0.00 -0.15 0.00 0.00 55.06 55.61 1pgu s HIS 338 Cb 0.00 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1pgu s HIS 338 CO 0.00 0.20 0.82 0.27 -0.85 0.00 0.00 174.74 175.18 1pgu n ASN 339 N -0.74 0.11 -4.20 1.40 0.23 -1.26 0.68 115.26 111.48 1pgu n ASN 339 Ca -0.01 -1.67 -0.17 0.00 -0.53 0.00 0.00 54.58 52.20 1pgu n ASN 339 Cb 0.53 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.11 0.90 0.22 -3.83 3.01 -1.26 -4.66 119.74 114.02 1pgu s LYS 340 Ca 0.01 -1.12 -0.29 0.00 -1.01 0.00 0.00 55.97 53.56 1pgu s LYS 340 Cb 0.01 -0.76 -0.16 0.00 -1.01 0.00 0.00 37.83 35.91 1pgu s LYS 340 CO 0.00 0.15 0.87 0.41 0.51 0.00 0.00 175.35 177.29 1pgu n GLY 341 N 0.79 -0.72 3.63 -3.33 0.00 -1.26 -4.41 105.19 99.89 1pgu n GLY 341 Ca -0.18 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.84 5.02 -0.29 -0.61 1.01 -1.05 -1.04 121.20 123.40 1pgu s ILE 342 Ca 0.65 1.05 0.13 0.00 0.00 0.00 0.00 60.65 62.47 1pgu s ILE 342 Cb -0.83 -3.90 -0.17 0.00 0.01 0.00 0.00 42.46 37.57 1pgu s ILE 342 CO 0.57 0.06 0.40 0.35 0.00 0.00 0.00 174.94 176.32 1pgu n THR 343 N 5.08 0.00 -4.06 2.92 -2.24 0.30 -4.49 114.28 111.79 1pgu n THR 343 Ca -0.02 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1pgu n THR 343 Cb 0.49 0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.54 0.46 0.00 6.98 0.00 -0.68 -4.86 121.76 121.13 1pgu s ALA 344 Ca -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 1pgu s ALA 344 Cb 0.09 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1pgu s ALA 344 CO 0.52 -0.02 0.29 -1.17 0.00 0.00 0.00 175.76 175.39 1pgu s LEU 345 N -1.24 0.92 0.05 0.00 0.20 -1.26 -1.58 118.68 115.77 1pgu s LEU 345 Ca -0.08 -0.02 -0.05 0.00 0.69 0.00 0.00 54.13 54.66 1pgu s LEU 345 Cb -0.08 1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 46.91 1pgu s LEU 345 CO 0.00 -0.49 0.09 0.28 -0.29 0.00 0.00 176.35 175.94 1pgu s THR 346 N -1.70 0.15 0.07 3.68 -1.32 -0.21 -4.74 115.64 111.57 1pgu s THR 346 Ca -0.11 -1.27 0.05 0.00 -1.21 0.00 0.00 61.69 59.14 1pgu s THR 346 Cb -0.04 -1.13 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1pgu s THR 346 CO 0.02 -0.70 -0.14 0.54 -2.21 0.00 0.00 174.62 172.13 1pgu s VAL 347 N -3.18 1.06 -0.70 5.08 0.11 -1.26 -2.61 120.40 118.89 1pgu s VAL 347 Ca -0.00 -1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 57.73 1pgu s VAL 347 Cb 0.02 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1pgu s VAL 347 CO -0.07 -0.21 0.64 0.59 -3.33 0.00 0.00 175.10 172.72 1pgu n ASN 348 N 1.37 -6.20 -4.89 3.54 3.02 -1.26 -4.65 115.26 106.18 1pgu n ASN 348 Ca -0.21 -0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 53.64 1pgu n ASN 348 Cb 0.54 -3.21 0.01 0.00 -0.61 0.00 0.00 39.78 36.50 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 -3.73 3.53 -0.19 3.52 0.04 -1.26 -5.02 135.00 131.89 1pgu s PRO 349 Ca 0.08 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1pgu s PRO 349 Cb -0.01 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1pgu s PRO 349 CO 0.83 -0.38 1.29 -1.17 0.04 0.00 0.00 177.00 177.61 1pgu s LEU 350 N -4.93 4.12 -0.02 -3.56 2.96 -1.26 -4.76 118.68 111.23 1pgu s LEU 350 Ca 0.51 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1pgu s LEU 350 Cb -0.11 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1pgu s LEU 350 CO 0.48 -0.84 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.01 1pgu s ILE 351 N 3.72 0.41 0.11 6.68 1.01 -1.07 -2.30 121.20 129.75 1pgu s ILE 351 Ca 0.56 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.12 1pgu s ILE 351 Cb -0.21 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1pgu s ILE 351 CO 0.17 0.15 -0.13 -0.94 0.00 0.00 0.00 174.94 174.19 1pgu s SER 352 N 0.38 1.84 0.01 3.58 1.04 -1.26 -1.05 113.70 118.24 1pgu s SER 352 Ca -0.04 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1pgu s SER 352 Cb -0.08 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1pgu s SER 352 CO -0.00 -0.15 -0.03 -0.83 0.98 0.00 0.00 173.24 173.21 1pgu s GLY 353 N -2.28 0.17 0.47 7.32 0.00 -0.61 -4.11 107.32 108.27 1pgu s GLY 353 Ca 0.06 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1pgu s GLY 353 CO 0.02 -0.31 0.26 -1.14 0.00 0.00 0.00 173.10 171.93 1pgu n SER 354 N 2.46 2.72 0.00 1.64 3.41 -0.29 -0.54 113.62 123.02 1pgu n SER 354 Ca -0.17 -2.73 0.08 0.00 -0.26 0.00 0.00 58.87 55.80 1pgu n SER 354 Cb 0.58 0.06 0.48 0.00 -0.26 0.00 0.00 64.21 65.07 1pgu n SER 354 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pgu n TYR 355 N -1.48 0.00 0.64 7.33 0.18 -0.21 -1.88 117.16 121.74 1pgu n TYR 355 Ca -0.06 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.80 1pgu n TYR 355 Cb 0.55 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.59 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 -0.77 2.45 0.00 9.48 5.75 -1.26 -1.52 116.55 130.68 1pgu n ASP 356 Ca 0.12 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1pgu n ASP 356 Cb 0.06 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1pgu n ASP 356 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pgu n GLY 357 N 0.95 0.77 3.74 6.12 0.00 -0.93 -3.38 105.19 112.46 1pgu n GLY 357 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.65 4.50 0.00 1.61 3.52 -1.26 -3.94 118.95 122.73 1pgu s ARG 358 Ca 0.00 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 1pgu s ARG 358 Cb 0.00 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1pgu s ARG 358 CO 0.00 -0.07 0.00 -0.89 -0.81 0.00 0.00 175.30 173.53 1pgu n ILE 359 N 2.50 0.00 -3.09 4.11 5.41 -0.96 -1.14 119.36 126.20 1pgu n ILE 359 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.81 1pgu n ILE 359 Cb 0.45 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.09 0.55 0.57 0.38 2.02 0.77 -0.83 118.70 121.08 1pgu s GLU 361 Ca 0.00 -0.03 0.34 0.00 0.02 0.00 0.00 54.97 55.30 1pgu s GLU 361 Cb 0.00 0.10 1.71 0.00 0.10 0.00 0.00 34.13 36.05 1pgu s GLU 361 CO 0.00 -0.85 2.14 -1.49 0.02 0.00 0.00 175.26 175.08 1pgu h TRP 362 N 6.82 0.00 -0.37 1.61 4.06 -1.73 0.22 115.95 126.55 1pgu h TRP 362 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1pgu h TRP 362 Cb 1.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 1pgu h TRP 362 CO 0.08 0.06 -0.03 0.66 -3.56 0.00 0.00 178.44 175.65 1pgu h SER 363 N 0.00 0.57 -0.04 -3.49 4.64 -1.97 -3.11 113.55 110.14 1pgu h SER 363 Ca -0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1pgu h SER 363 Cb 0.28 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1pgu h SER 363 CO 0.01 0.66 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 1pgu n SER 364 N -4.24 2.02 -3.47 4.97 3.41 -1.07 -4.98 113.62 110.26 1pgu n SER 364 Ca 0.02 -1.90 -0.25 0.00 -0.26 0.00 0.00 58.87 56.47 1pgu n SER 364 Cb 0.28 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.31 -5.41 -3.18 4.04 7.64 0.55 -5.05 113.62 111.90 1pgu n SER 365 Ca 0.02 -0.50 -0.11 0.00 1.01 0.00 0.00 58.87 59.28 1pgu n SER 365 Cb 0.25 -4.34 0.06 0.00 -1.01 0.00 0.00 64.21 59.17 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 -2.69 0.61 -3.64 6.43 7.64 0.08 -4.91 113.62 117.13 1pgu n SER 366 Ca -0.02 -1.52 -0.02 0.00 1.01 0.00 0.00 58.87 58.32 1pgu n SER 366 Cb 0.57 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.37 -0.04 -0.28 1.43 3.76 -0.01 -0.16 115.29 118.62 1pgu s HIS 368 Ca 0.31 0.07 0.20 0.00 -0.15 0.00 0.00 55.06 55.49 1pgu s HIS 368 Cb -0.02 0.49 0.49 0.00 1.11 0.00 0.00 32.58 34.66 1pgu s HIS 368 CO 0.21 -0.03 1.07 1.04 -0.85 0.00 0.00 174.74 176.18 1pgu n GLN 369 N 0.58 1.74 -0.05 1.40 6.02 -1.26 -2.26 117.38 123.55 1pgu n GLN 369 Ca -0.01 -3.51 -0.13 0.00 -0.01 0.00 0.00 57.00 53.34 1pgu n GLN 369 Cb 0.59 -1.57 -0.11 0.00 1.02 0.00 0.00 30.24 30.16 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 2.68 -0.01 -4.32 1.08 3.32 -1.94 -3.45 116.42 113.78 1pgu h ASP 370 Ca -0.09 -0.79 -0.51 0.00 0.02 0.00 0.00 57.03 55.66 1pgu h ASP 370 Cb 1.26 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.92 1pgu h ASP 370 CO 0.32 0.81 0.34 -1.00 -1.72 0.00 0.00 179.24 177.99 1pgu s HIS 371 N -2.76 2.88 0.00 4.55 3.76 -1.25 -4.99 115.29 117.47 1pgu s HIS 371 Ca -0.17 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1pgu s HIS 371 Cb -0.02 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.71 1pgu s HIS 371 CO 0.64 -1.51 0.89 -1.13 -0.85 0.00 0.00 174.74 172.78 1pgu n SER 372 N -3.32 1.70 -3.43 1.40 3.41 -1.26 -4.62 113.62 107.50 1pgu n SER 372 Ca 0.08 -1.79 -0.10 0.00 -0.26 0.00 0.00 58.87 56.80 1pgu n SER 372 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.79 0.20 -0.15 4.04 3.84 -1.22 -4.70 114.94 116.18 1pgu s ASN 373 Ca 0.00 -1.11 -0.34 0.00 0.21 0.00 0.00 52.86 51.61 1pgu s ASN 373 Cb 0.00 0.71 -0.16 0.00 -0.55 0.00 0.00 41.25 41.25 1pgu s ASN 373 CO 0.00 -1.39 1.02 -0.11 -2.79 0.00 0.00 177.10 173.83 1pgu n LEU 374 N -0.49 0.35 -4.61 3.21 0.00 -0.58 -2.19 117.00 112.69 1pgu n LEU 374 Ca -0.03 0.95 -0.43 0.00 0.00 0.00 0.00 56.01 56.49 1pgu n LEU 374 Cb 0.61 -0.73 -0.03 0.00 0.00 0.00 0.00 43.42 43.27 1pgu n LEU 374 CO 0.25 -1.23 0.86 -0.63 0.00 0.00 0.00 177.39 176.64 1pgu s ILE 375 N 0.87 4.51 0.04 1.96 -1.09 -0.79 -0.85 121.20 125.86 1pgu s ILE 375 Ca 0.78 1.38 -0.16 0.00 -2.23 0.00 0.00 60.65 60.41 1pgu s ILE 375 Cb -1.09 -4.40 -0.30 0.00 -1.58 0.00 0.00 42.46 35.10 1pgu s ILE 375 CO 0.53 -0.58 1.08 0.58 -1.23 0.00 0.00 174.94 175.32 1pgu h VAL 376 N 5.85 1.31 -3.01 2.92 2.07 -0.18 -3.35 116.25 121.86 1pgu h VAL 376 Ca -0.22 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 64.84 1pgu h VAL 376 Cb 1.07 2.76 -0.10 0.00 -1.52 0.00 0.00 31.29 33.49 1pgu h VAL 376 CO 1.02 0.74 0.21 -0.94 0.02 0.00 0.00 177.57 178.62 1pgu s SER 377 N -7.37 -0.49 0.00 0.57 1.04 -1.19 -4.60 113.70 101.66 1pgu s SER 377 Ca -0.10 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1pgu s SER 377 Cb 0.05 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1pgu s SER 377 CO 0.92 -1.05 -0.04 -0.76 0.98 0.00 0.00 173.24 173.29 1pgu s LEU 378 N -2.79 2.04 -0.07 2.42 1.02 -1.26 -2.04 118.68 117.99 1pgu s LEU 378 Ca 0.03 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.07 1pgu s LEU 378 Cb -0.02 -0.18 0.02 0.00 0.02 0.00 0.00 46.19 46.03 1pgu s LEU 378 CO -0.09 0.01 -0.08 -0.62 0.02 0.00 0.00 176.35 175.60 1pgu s ASP 379 N -0.25 1.65 -0.14 2.29 -1.08 0.11 -4.87 116.67 114.37 1pgu s ASP 379 Ca -0.00 -0.23 0.14 0.00 -0.52 0.00 0.00 52.55 51.94 1pgu s ASP 379 Cb -0.02 -0.69 0.36 0.00 -1.46 0.00 0.00 42.92 41.10 1pgu s ASP 379 CO -0.00 -0.05 1.18 -0.46 0.52 0.00 0.00 175.17 176.35 1pgu n ASN 380 N 4.32 1.64 0.28 -0.34 6.94 -1.26 -0.33 115.26 126.51 1pgu n ASN 380 Ca -0.19 -3.27 0.16 0.00 -0.02 0.00 0.00 54.58 51.26 1pgu n ASN 380 Cb 0.51 -0.45 0.77 0.00 -2.36 0.00 0.00 39.78 38.26 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 0.67 0.00 -3.40 0.53 4.64 -1.90 -3.42 113.55 110.67 1pgu h SER 381 Ca -0.03 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.68 1pgu h SER 381 Cb 1.16 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 1pgu h SER 381 CO 0.02 0.06 -0.39 -0.75 -0.87 0.00 0.00 176.83 174.90 1pgu s LYS 382 N -3.90 4.18 -0.38 4.77 2.20 -1.26 -4.99 119.74 120.36 1pgu s LYS 382 Ca -0.01 -0.05 -0.42 0.00 -0.36 0.00 0.00 55.97 55.12 1pgu s LYS 382 Cb 0.11 -3.47 -0.17 0.00 -1.51 0.00 0.00 37.83 32.79 1pgu s LYS 382 CO 0.54 0.15 1.80 0.00 -0.36 0.00 0.00 175.35 177.48 1pgu n ALA 383 N 3.92 -0.36 -0.94 3.13 0.00 -1.26 -0.88 120.51 124.12 1pgu n ALA 383 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1pgu n ALA 383 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 5.53 -0.84 -4.49 0.00 1.13 -1.26 -4.99 117.38 112.47 1pgu n GLN 384 Ca 0.33 0.21 -0.23 0.00 -1.94 0.00 0.00 57.00 55.37 1pgu n GLN 384 Cb 0.06 -3.98 -0.11 0.00 0.11 0.00 0.00 30.24 26.33 1pgu n GLN 384 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pgu s GLU 385 N -0.97 1.72 -0.14 -1.09 2.02 -0.06 -5.08 118.70 115.10 1pgu s GLU 385 Ca 0.00 -1.95 -0.23 0.00 0.02 0.00 0.00 54.97 52.81 1pgu s GLU 385 Cb 0.00 -1.14 0.06 0.00 0.10 0.00 0.00 34.13 33.15 1pgu s GLU 385 CO 0.00 -0.11 0.59 1.52 0.02 0.00 0.00 175.26 177.28 1pgu s TYR 386 N -3.08 -0.60 -0.09 1.61 -0.85 -1.26 -4.46 117.35 108.62 1pgu s TYR 386 Ca 0.35 1.29 0.03 0.00 -0.52 0.00 0.00 57.07 58.22 1pgu s TYR 386 Cb 0.08 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 1pgu s TYR 386 CO 0.16 -0.42 -0.19 0.45 -1.52 0.00 0.00 175.55 174.03 1pgu s SER 387 N -0.37 3.56 0.07 -0.18 0.15 0.56 -1.63 113.70 115.86 1pgu s SER 387 Ca -0.05 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.25 1pgu s SER 387 Cb -0.03 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 1pgu s SER 387 CO 0.04 0.21 -0.17 -0.94 1.20 0.00 0.00 173.24 173.57 1pgu s SER 388 N 0.08 2.09 -0.03 5.45 1.04 -0.32 0.04 113.70 122.06 1pgu s SER 388 Ca -0.08 -0.58 0.06 0.00 0.48 0.00 0.00 55.95 55.82 1pgu s SER 388 Cb -0.15 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1pgu s SER 388 CO 0.05 0.03 -0.19 -0.63 0.98 0.00 0.00 173.24 173.48 1pgu s ILE 389 N -1.05 1.56 0.12 -1.02 1.01 -0.87 -0.56 121.20 120.39 1pgu s ILE 389 Ca 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1pgu s ILE 389 Cb -0.09 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1pgu s ILE 389 CO 0.03 0.44 -0.02 -0.55 0.00 0.00 0.00 174.94 174.84 1pgu s SER 390 N -0.30 0.94 0.00 3.58 0.15 -0.76 0.60 113.70 117.91 1pgu s SER 390 Ca 0.04 -1.10 0.10 0.00 0.70 0.00 0.00 55.95 55.69 1pgu s SER 390 Cb -0.09 0.15 0.62 0.00 -1.71 0.00 0.00 66.02 64.99 1pgu s SER 390 CO 0.00 -0.57 1.15 0.79 1.20 0.00 0.00 173.24 175.81 1pgu n TRP 391 N -0.10 0.00 0.34 3.44 8.01 -0.03 -1.71 117.44 127.39 1pgu n TRP 391 Ca -0.09 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.16 1pgu n TRP 391 Cb 0.62 0.00 0.21 0.00 -2.01 0.00 0.00 31.31 30.13 1pgu n TRP 391 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1pgu n ASP 392 N -0.74 2.89 -2.27 -0.99 5.68 -1.26 -4.90 116.55 114.96 1pgu n ASP 392 Ca 0.08 -2.19 -0.17 0.00 -0.50 0.00 0.00 54.79 52.00 1pgu n ASP 392 Cb 0.04 -0.41 0.02 0.00 -1.14 0.00 0.00 41.12 39.63 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 0.65 -5.01 -4.14 -1.12 8.00 -0.69 -4.97 116.55 109.27 1pgu n ASP 393 Ca 0.15 -0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 1pgu n ASP 393 Cb 0.53 -3.90 -0.10 0.00 -0.02 0.00 0.00 41.12 37.63 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 -2.99 0.55 -0.12 -3.53 -4.23 -1.23 -0.40 115.64 103.69 1pgu s THR 394 Ca 0.20 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1pgu s THR 394 Cb -0.09 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.23 1pgu s THR 394 CO 0.24 -0.86 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.02 1pgu s LEU 395 N -2.86 2.08 -0.00 4.79 0.20 -0.19 -1.82 118.68 120.87 1pgu s LEU 395 Ca 0.08 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.41 1pgu s LEU 395 Cb 0.04 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.38 1pgu s LEU 395 CO -0.06 0.11 -0.25 -0.54 -0.29 0.00 0.00 176.35 175.33 1pgu s LYS 396 N 0.60 1.96 -0.27 1.98 1.02 0.28 -0.55 119.74 124.76 1pgu s LYS 396 Ca -0.13 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 54.89 1pgu s LYS 396 Cb -0.17 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1pgu s LYS 396 CO 0.03 0.53 -0.00 0.08 -0.92 0.00 0.00 175.35 175.07 1pgu s VAL 397 N -0.64 3.25 -1.44 3.17 1.01 0.11 -1.17 120.40 124.69 1pgu s VAL 397 Ca 0.10 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1pgu s VAL 397 Cb -0.10 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1pgu s VAL 397 CO -0.00 0.10 1.03 0.59 0.00 0.00 0.00 175.10 176.82 1pgu n ASN 398 N 4.72 -4.89 0.00 3.32 3.02 -0.64 -1.70 115.26 119.09 1pgu n ASN 398 Ca -0.15 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1pgu n ASN 398 Cb 0.47 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 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 -1.77 0.52 3.25 7.41 0.00 -1.26 -5.03 105.19 108.31 1pgu n GLY 399 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 2.40 0.04 -0.61 1.01 -0.69 -4.97 121.20 116.31 1pgu s ILE 400 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1pgu s ILE 400 Cb 0.00 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 1pgu s ILE 400 CO 0.00 0.54 1.74 -0.89 0.00 0.00 0.00 174.94 176.32 1pgu s THR 401 N 0.60 3.08 -0.12 2.92 2.01 -1.26 0.06 115.64 122.93 1pgu s THR 401 Ca -0.11 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1pgu s THR 401 Cb -0.16 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 1pgu s THR 401 CO 0.03 -0.01 0.26 0.29 -0.69 0.00 0.00 174.62 174.50 1pgu n LYS 402 N 6.30 3.57 -3.64 4.92 4.76 0.29 -4.91 118.16 129.45 1pgu n LYS 402 Ca 0.17 -0.24 -0.06 0.00 -2.87 0.00 0.00 58.31 55.31 1pgu n LYS 402 Cb 0.41 -0.76 -0.07 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.73 -0.88 -0.21 2.13 2.46 -1.11 -4.53 115.29 112.41 1pgu s HIS 403 Ca 0.01 1.78 -0.06 0.00 0.47 0.00 0.00 55.06 57.26 1pgu s HIS 403 Cb 0.01 0.52 -0.03 0.00 -0.13 0.00 0.00 32.58 32.95 1pgu s HIS 403 CO 0.04 -0.44 0.03 -1.21 -2.47 0.00 0.00 174.74 170.70 1pgu s GLU 404 N 1.46 3.68 -0.03 2.88 2.02 -1.26 -1.02 118.70 126.43 1pgu s GLU 404 Ca -0.09 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1pgu s GLU 404 Cb -0.05 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 1pgu s GLU 404 CO -0.17 -0.02 1.06 -0.06 0.02 0.00 0.00 175.26 176.09 1pgu s PHE 405 N 1.12 3.51 0.08 1.61 0.40 0.47 -4.92 117.98 120.24 1pgu s PHE 405 Ca 0.03 1.52 0.26 0.00 -0.60 0.00 0.00 56.93 58.15 1pgu s PHE 405 Cb -0.14 -3.24 0.97 0.00 0.51 0.00 0.00 43.02 41.12 1pgu s PHE 405 CO 0.02 -0.50 1.84 0.78 0.70 0.00 0.00 175.22 178.07 1pgu h GLY 406 N 7.36 0.00 -5.21 4.36 0.00 -1.98 -3.43 103.07 104.17 1pgu h GLY 406 Ca -0.37 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.63 1pgu h GLY 406 CO 0.81 0.00 -0.75 -0.45 0.00 0.00 0.00 176.54 176.15 1pgu s SER 407 N -6.07 0.73 0.17 0.19 0.15 -1.26 -5.09 113.70 102.51 1pgu s SER 407 Ca 0.01 -0.20 -0.32 0.00 0.70 0.00 0.00 55.95 56.15 1pgu s SER 407 Cb 0.09 -0.05 -0.11 0.00 -1.71 0.00 0.00 66.02 64.24 1pgu s SER 407 CO 0.62 0.01 1.70 -1.58 1.20 0.00 0.00 173.24 175.19 1pgu s GLN 408 N -0.45 4.16 -0.20 5.44 0.74 -1.26 -4.65 119.66 123.44 1pgu s GLN 408 Ca -0.00 2.52 -0.29 0.00 0.05 0.00 0.00 55.36 57.64 1pgu s GLN 408 Cb -0.04 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1pgu s GLN 408 CO -0.00 -0.74 1.21 -1.25 -0.55 0.00 0.00 175.29 173.96 1pgu s PRO 409 N 1.64 4.21 -0.10 1.67 0.04 -1.26 -0.80 135.00 140.40 1pgu s PRO 409 Ca 0.75 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 1pgu s PRO 409 Cb -0.47 -3.74 -0.19 0.00 0.04 0.00 0.00 34.50 30.14 1pgu s PRO 409 CO 0.33 -0.73 0.76 0.87 0.04 0.00 0.00 177.00 178.27 1pgu h LYS 410 N 8.12 -0.05 -4.17 4.56 1.57 0.05 -3.44 116.57 123.20 1pgu h LYS 410 Ca -0.24 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.39 1pgu h LYS 410 Cb 1.09 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 1pgu h LYS 410 CO 0.98 0.61 -0.49 0.14 -0.57 0.00 0.00 179.45 180.12 1pgu s VAL 411 N -2.71 0.08 0.10 0.50 -7.23 -1.19 -5.00 120.40 104.95 1pgu s VAL 411 Ca -0.14 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 1pgu s VAL 411 Cb -0.01 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 35.02 1pgu s VAL 411 CO 0.54 -0.35 0.64 0.00 -0.31 0.00 0.00 175.10 175.63 1pgu s ALA 412 N -4.02 -1.65 -0.10 1.32 0.00 -1.26 -1.32 121.76 114.73 1pgu s ALA 412 Ca 0.22 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 1pgu s ALA 412 Cb 0.05 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1pgu s ALA 412 CO 0.02 -0.68 0.24 0.45 0.00 0.00 0.00 175.76 175.79 1pgu s SER 413 N -2.39 -0.26 0.02 0.00 0.15 -0.24 -4.81 113.70 106.17 1pgu s SER 413 Ca -0.01 0.50 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1pgu s SER 413 Cb -0.01 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1pgu s SER 413 CO -0.08 -0.12 -0.20 0.00 1.20 0.00 0.00 173.24 174.05 1pgu s ALA 414 N 0.57 2.50 0.00 5.45 0.00 -1.26 -0.46 121.76 128.56 1pgu s ALA 414 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1pgu s ALA 414 Cb -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1pgu s ALA 414 CO -0.03 0.56 0.00 0.27 0.00 0.00 0.00 175.76 176.56 1pgu n ASN 415 N 1.82 0.00 0.00 0.00 0.23 -1.00 -4.84 115.26 111.48 1pgu n ASN 415 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 1pgu n ASN 415 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 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 1.43 -1.16 0.53 3.02 -1.26 -4.67 115.26 113.14 1pgu n ASN 416 Ca 0.00 -1.45 0.10 0.00 -0.03 0.00 0.00 54.58 53.20 1pgu n ASN 416 Cb 0.00 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.23 3.66 -0.11 6.41 10.43 -1.26 -4.93 116.55 130.52 1pgu n ASP 417 Ca 0.00 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.37 1pgu n ASP 417 Cb 0.12 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.68 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 1.36 0.94 3.22 0.44 0.00 -1.26 -5.03 105.19 104.86 1pgu n GLY 418 Ca 0.21 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.23 1.38 -0.03 1.61 0.40 -1.26 -1.63 117.98 116.22 1pgu s PHE 419 Ca 0.00 -0.49 -0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1pgu s PHE 419 Cb 0.00 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1pgu s PHE 419 CO 0.00 0.12 0.05 0.99 0.70 0.00 0.00 175.22 177.07 1pgu s THR 420 N -1.61 -0.05 -0.20 0.64 2.01 0.04 -2.37 115.64 114.10 1pgu s THR 420 Ca 0.04 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1pgu s THR 420 Cb -0.08 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 1pgu s THR 420 CO 0.03 0.08 0.14 0.00 -0.69 0.00 0.00 174.62 174.19 1pgu s ALA 421 N 1.03 3.68 0.09 7.40 0.00 0.39 -0.09 121.76 134.26 1pgu s ALA 421 Ca -0.09 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.29 1pgu s ALA 421 Cb -0.12 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1pgu s ALA 421 CO -0.03 0.16 -0.23 0.08 0.00 0.00 0.00 175.76 175.74 1pgu s VAL 422 N 0.35 1.87 -0.16 0.00 1.01 0.11 -1.08 120.40 122.50 1pgu s VAL 422 Ca 0.09 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1pgu s VAL 422 Cb -0.11 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1pgu s VAL 422 CO -0.01 0.06 -0.20 -0.76 0.00 0.00 0.00 175.10 174.19 1pgu s LEU 423 N -1.74 2.07 0.48 3.92 1.43 -0.43 -0.56 118.68 123.84 1pgu s LEU 423 Ca 0.09 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1pgu s LEU 423 Cb -0.10 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.73 1pgu s LEU 423 CO 0.04 0.03 0.65 0.42 0.23 0.00 0.00 176.35 177.72 1pgu s THR 424 N 1.09 2.77 -0.76 5.49 -4.23 -0.98 0.76 115.64 119.78 1pgu s THR 424 Ca -0.01 -0.94 0.19 0.00 -1.18 0.00 0.00 61.69 59.75 1pgu s THR 424 Cb -0.14 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.05 1pgu s THR 424 CO -0.08 0.00 1.57 0.59 -0.54 0.00 0.00 174.62 176.17 1pgu n ASN 425 N -2.02 0.31 -1.23 3.99 4.13 0.02 -1.57 115.26 118.89 1pgu n ASN 425 Ca 0.10 0.58 0.12 0.00 1.68 0.00 0.00 54.58 57.05 1pgu n ASN 425 Cb 0.60 -0.64 0.26 0.00 -1.54 0.00 0.00 39.78 38.45 1pgu n ASN 425 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1pgu n ASP 426 N -1.84 3.62 -1.05 6.41 10.43 -1.26 -4.96 116.55 127.90 1pgu n ASP 426 Ca 0.03 -1.99 -0.09 0.00 2.57 0.00 0.00 54.79 55.31 1pgu n ASP 426 Cb 0.19 -0.34 -0.00 0.00 1.84 0.00 0.00 41.12 42.81 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 1.54 -3.10 -4.90 -2.24 8.00 -0.61 -4.91 116.55 110.33 1pgu n ASP 427 Ca 0.21 -0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 1pgu n ASP 427 Cb 0.61 -2.33 -0.05 0.00 -0.02 0.00 0.00 41.12 39.33 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 -2.65 6.44 -0.30 -2.24 1.01 -1.26 -0.50 116.67 117.16 1pgu s ASP 428 Ca 0.02 0.45 -0.09 0.00 0.71 0.00 0.00 52.55 53.64 1pgu s ASP 428 Cb -0.01 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1pgu s ASP 428 CO 0.02 0.18 0.12 -0.22 0.21 0.00 0.00 175.17 175.49 1pgu s LEU 429 N -2.23 3.93 -0.02 1.23 0.20 0.28 -2.31 118.68 119.77 1pgu s LEU 429 Ca 0.33 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.70 1pgu s LEU 429 Cb -0.13 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1pgu s LEU 429 CO 0.22 -0.16 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.26 1pgu s LEU 430 N 1.60 3.00 -0.21 -0.68 1.43 0.27 -2.19 118.68 121.90 1pgu s LEU 430 Ca 0.05 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1pgu s LEU 430 Cb -0.17 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1pgu s LEU 430 CO 0.05 0.31 -0.14 -0.63 0.23 0.00 0.00 176.35 176.17 1pgu s ILE 431 N -0.89 2.35 0.16 -0.59 1.01 -0.67 0.05 121.20 122.61 1pgu s ILE 431 Ca 0.15 -1.05 0.10 0.00 0.00 0.00 0.00 60.65 59.85 1pgu s ILE 431 Cb -0.11 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1pgu s ILE 431 CO 0.04 0.36 -0.20 -0.76 0.00 0.00 0.00 174.94 174.38 1pgu s LEU 432 N 1.28 2.60 -0.58 2.97 1.02 0.87 -0.74 118.68 126.10 1pgu s LEU 432 Ca 0.01 -0.70 -0.28 0.00 0.02 0.00 0.00 54.13 53.18 1pgu s LEU 432 Cb -0.15 -1.38 0.03 0.00 0.02 0.00 0.00 46.19 44.71 1pgu s LEU 432 CO -0.09 0.14 1.20 -1.10 0.02 0.00 0.00 176.35 176.52 1pgu s GLN 433 N -2.44 3.51 0.28 1.70 -0.21 -0.42 -0.78 119.66 121.29 1pgu s GLN 433 Ca 0.20 0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 1pgu s GLN 433 Cb -0.09 -4.02 0.64 0.00 1.00 0.00 0.00 33.01 30.54 1pgu s GLN 433 CO 0.10 -1.68 1.63 0.77 -2.12 0.00 0.00 175.29 173.99 1pgu h SER 434 N 9.57 -0.16 -0.58 5.90 0.02 -1.60 0.12 113.55 126.80 1pgu h SER 434 Ca -0.25 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1pgu h SER 434 Cb 1.06 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1pgu h SER 434 CO 1.19 -0.19 0.00 0.49 -1.14 0.00 0.00 176.83 177.18 1pgu n PHE 435 N -5.30 0.92 0.00 3.45 3.01 -1.26 -4.19 117.46 114.10 1pgu n PHE 435 Ca 0.19 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1pgu n PHE 435 Cb 0.64 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 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 1.15 0.00 -0.42 4.37 -2.24 -0.91 -5.00 114.28 111.23 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 0.57 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 2.12 0.86 3.72 3.38 0.00 0.36 -4.80 105.19 110.83 1pgu n GLY 437 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.00 7.13 -0.38 1.61 1.01 -1.25 -4.67 116.67 117.12 1pgu s ASP 438 Ca 0.00 2.06 -0.28 0.00 0.71 0.00 0.00 52.55 55.04 1pgu s ASP 438 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1pgu s ASP 438 CO 0.00 -0.39 1.05 -0.63 0.21 0.00 0.00 175.17 175.41 1pgu s ILE 439 N 0.57 4.44 0.06 0.77 1.01 -1.26 -1.31 121.20 125.49 1pgu s ILE 439 Ca 0.55 1.41 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 1pgu s ILE 439 Cb -0.30 -4.45 -0.29 0.00 0.01 0.00 0.00 42.46 37.43 1pgu s ILE 439 CO 0.32 -0.66 1.12 0.40 0.00 0.00 0.00 174.94 176.11 1pgu h ILE 440 N 5.91 1.36 -2.74 2.92 2.04 -1.29 -3.49 117.51 122.22 1pgu h ILE 440 Ca -0.22 -2.68 0.06 0.00 1.00 0.00 0.00 64.86 63.02 1pgu h ILE 440 Cb 1.07 2.81 -0.10 0.00 -0.74 0.00 0.00 36.82 39.85 1pgu h ILE 440 CO 1.05 0.80 0.32 -1.59 0.00 0.00 0.00 178.15 178.72 1pgu s LYS 441 N -2.84 1.28 0.18 2.37 -2.85 -1.20 -5.04 119.74 111.64 1pgu s LYS 441 Ca -0.07 -0.58 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 1pgu s LYS 441 Cb 0.06 0.52 0.06 0.00 -2.06 0.00 0.00 37.83 36.41 1pgu s LYS 441 CO 0.92 -0.57 0.70 -1.54 0.10 0.00 0.00 175.35 174.95 1pgu s SER 442 N -2.76 -0.42 -0.13 0.03 1.04 -1.26 -1.68 113.70 108.52 1pgu s SER 442 Ca 0.06 -0.22 -0.22 0.00 0.48 0.00 0.00 55.95 56.04 1pgu s SER 442 Cb -0.02 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1pgu s SER 442 CO -0.05 -1.05 0.56 0.54 0.98 0.00 0.00 173.24 174.23 1pgu s VAL 443 N -3.70 0.01 -0.13 5.02 0.11 -0.93 -5.00 120.40 115.78 1pgu s VAL 443 Ca 0.05 -0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 58.78 1pgu s VAL 443 Cb -0.03 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1pgu s VAL 443 CO -0.05 -0.05 0.77 -0.60 -3.33 0.00 0.00 175.10 171.84 1pgu s ARG 444 N -0.43 4.34 0.73 1.54 6.06 -1.26 -0.55 118.95 129.37 1pgu s ARG 444 Ca -0.06 0.93 -0.11 0.00 -2.50 0.00 0.00 55.73 54.00 1pgu s ARG 444 Cb -0.03 -3.53 0.03 0.00 0.06 0.00 0.00 34.95 31.48 1pgu s ARG 444 CO 0.04 -0.18 1.08 -0.51 -2.50 0.00 0.00 175.30 173.23 1pgu s LEU 445 N 1.64 3.10 0.38 -0.88 1.43 0.34 -4.94 118.68 119.74 1pgu s LEU 445 Ca 0.37 1.73 0.18 0.00 -1.03 0.00 0.00 54.13 55.38 1pgu s LEU 445 Cb -0.17 -4.51 0.71 0.00 0.03 0.00 0.00 46.19 42.25 1pgu s LEU 445 CO 0.15 -1.72 1.76 -1.13 0.23 0.00 0.00 176.35 175.64 1pgu h ASN 446 N -0.86 0.00 -5.27 2.29 -1.24 -1.96 -3.47 115.58 105.07 1pgu h ASN 446 Ca -0.44 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.42 1pgu h ASN 446 Cb 1.22 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.23 1pgu h ASN 446 CO 0.54 0.38 0.03 -0.94 -1.29 0.00 0.00 177.43 176.15 1pgu s SER 447 N -6.51 0.47 0.42 1.15 1.04 -1.26 -5.06 113.70 103.94 1pgu s SER 447 Ca -0.01 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 54.86 1pgu s SER 447 Cb 0.12 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.90 1pgu s SER 447 CO 0.69 -1.47 1.38 -2.84 0.98 0.00 0.00 173.24 171.97 1pgu s PRO 448 N -2.75 3.88 -0.09 4.02 0.02 -1.26 -4.80 135.00 134.01 1pgu s PRO 448 Ca 0.23 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.54 1pgu s PRO 448 Cb -0.03 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 1pgu s PRO 448 CO 0.16 -0.62 0.02 0.20 -0.33 0.00 0.00 177.00 176.43 1pgu s GLY 449 N -0.56 1.90 0.00 0.52 0.00 -1.26 -0.79 107.32 107.13 1pgu s GLY 449 Ca 0.58 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1pgu s GLY 449 CO 0.54 -0.55 0.60 -1.14 0.00 0.00 0.00 173.10 172.55 1pgu n SER 450 N 2.09 1.26 -3.61 1.64 3.41 -0.19 -4.94 113.62 113.28 1pgu n SER 450 Ca -0.19 -1.13 -0.12 0.00 -0.26 0.00 0.00 58.87 57.17 1pgu n SER 450 Cb 0.54 0.00 -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 -0.26 -1.89 -0.01 7.33 0.00 -1.25 -4.68 121.76 121.00 1pgu s ALA 451 Ca 0.04 1.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.77 1pgu s ALA 451 Cb 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 1pgu s ALA 451 CO 0.04 -0.29 0.06 0.14 0.00 0.00 0.00 175.76 175.70 1pgu s VAL 452 N -0.13 0.05 -0.05 0.00 -7.23 -1.26 -0.91 120.40 110.88 1pgu s VAL 452 Ca -0.00 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1pgu s VAL 452 Cb -0.04 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.69 1pgu s VAL 452 CO -0.01 -0.25 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.95 1pgu s SER 453 N -0.77 0.99 -0.22 4.85 0.15 -0.25 -4.58 113.70 113.87 1pgu s SER 453 Ca -0.08 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 1pgu s SER 453 Cb -0.05 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1pgu s SER 453 CO 0.00 -0.09 -0.09 -0.22 1.20 0.00 0.00 173.24 174.04 1pgu s LEU 454 N 1.12 2.78 0.00 3.45 2.96 -1.26 -0.68 118.68 127.04 1pgu s LEU 454 Ca -0.08 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1pgu s LEU 454 Cb -0.14 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1pgu s LEU 454 CO -0.01 -0.05 0.00 -1.54 -1.32 0.00 0.00 176.35 173.43 1pgu n SER 455 N 4.70 0.61 -0.11 3.68 3.41 -0.31 -4.19 113.62 121.40 1pgu n SER 455 Ca -0.18 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.50 1pgu n SER 455 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.50 -0.00 4.33 4.15 -1.95 -3.35 115.11 118.79 1pgu h GLN 456 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1pgu h GLN 456 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1pgu h GLN 456 CO 0.00 0.40 -0.09 0.09 -1.93 0.00 0.00 178.83 177.30 1pgu n ASN 457 N -4.78 0.87 -4.27 -0.69 4.13 -1.26 -4.91 115.26 104.35 1pgu n ASN 457 Ca -0.00 -0.94 -0.15 0.00 1.68 0.00 0.00 54.58 55.17 1pgu n ASN 457 Cb 0.07 0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 38.65 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 -0.85 1.36 -0.21 3.10 1.51 -1.26 -1.28 117.35 119.72 1pgu s TYR 458 Ca 0.04 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1pgu s TYR 458 Cb 0.04 -0.69 0.06 0.00 -0.11 0.00 0.00 41.96 41.26 1pgu s TYR 458 CO 0.11 0.12 -0.01 0.08 -1.11 0.00 0.00 175.55 174.74 1pgu s VAL 459 N -3.27 1.04 -0.24 0.71 1.01 -0.60 -1.17 120.40 117.88 1pgu s VAL 459 Ca 0.18 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1pgu s VAL 459 Cb 0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1pgu s VAL 459 CO 0.02 -0.15 0.31 0.00 0.00 0.00 0.00 175.10 175.28 1pgu s ALA 460 N 1.62 3.57 -0.05 5.51 0.00 0.15 -0.26 121.76 132.30 1pgu s ALA 460 Ca -0.03 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1pgu s ALA 460 Cb -0.18 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1pgu s ALA 460 CO -0.07 -0.40 -0.25 0.08 0.00 0.00 0.00 175.76 175.13 1pgu s VAL 461 N 1.51 1.99 -0.34 0.00 1.01 0.53 -1.10 120.40 124.00 1pgu s VAL 461 Ca 0.14 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1pgu s VAL 461 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1pgu s VAL 461 CO 0.08 0.56 0.35 -0.83 0.00 0.00 0.00 175.10 175.25 1pgu s GLY 462 N -0.26 1.91 -0.07 4.51 0.00 -0.09 -0.84 107.32 112.48 1pgu s GLY 462 Ca -0.00 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.32 1pgu s GLY 462 CO 0.02 0.96 0.48 1.08 0.00 0.00 0.00 173.10 175.65 1pgu s LEU 463 N 1.98 4.35 0.46 0.66 1.43 0.44 -1.02 118.68 126.98 1pgu s LEU 463 Ca 0.11 0.91 0.26 0.00 -1.03 0.00 0.00 54.13 54.38 1pgu s LEU 463 Cb -0.17 -2.71 0.96 0.00 0.03 0.00 0.00 46.19 44.31 1pgu s LEU 463 CO 0.11 0.10 1.84 -0.33 0.23 0.00 0.00 176.35 178.30 1pgu h GLU 464 N 6.03 0.00 0.00 1.70 5.08 -1.27 -1.18 114.58 124.94 1pgu h GLU 464 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1pgu h GLU 464 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pgu h GLU 464 CO 0.71 0.16 0.00 -1.91 -1.00 0.00 0.00 179.01 176.97 1pgu n GLU 465 N -3.29 0.00 -0.35 2.33 2.13 -1.26 -3.75 120.64 116.45 1pgu n GLU 465 Ca 0.01 0.53 0.08 0.00 0.66 0.00 0.00 57.16 58.44 1pgu n GLU 465 Cb 0.42 -1.28 0.22 0.00 0.27 0.00 0.00 31.44 31.07 1pgu n GLU 465 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pgu n GLY 466 N -0.89 4.35 3.73 8.31 0.00 -1.26 -4.95 105.19 114.48 1pgu n GLY 466 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.83 -5.33 -4.96 1.61 3.02 -0.46 -4.64 115.26 103.68 1pgu n ASN 467 Ca 0.20 -0.65 -0.20 0.00 -0.03 0.00 0.00 54.58 53.90 1pgu n ASN 467 Cb 0.82 -4.53 0.04 0.00 -0.61 0.00 0.00 39.78 35.50 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 -3.33 2.65 -0.13 3.41 -4.23 -1.10 -1.57 115.64 111.34 1pgu s THR 468 Ca 0.57 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1pgu s THR 468 Cb -0.27 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1pgu s THR 468 CO 0.77 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.08 1pgu s ILE 469 N -2.67 1.53 -0.11 2.99 1.01 -1.26 -0.42 121.20 122.26 1pgu s ILE 469 Ca 0.58 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 1pgu s ILE 469 Cb -0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1pgu s ILE 469 CO 0.38 0.45 -0.03 -1.58 0.00 0.00 0.00 174.94 174.15 1pgu s GLN 470 N 1.29 3.24 -0.24 2.79 0.74 -0.02 -1.88 119.66 125.58 1pgu s GLN 470 Ca 0.00 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 54.91 1pgu s GLN 470 Cb -0.14 -2.80 0.02 0.00 1.10 0.00 0.00 33.01 31.19 1pgu s GLN 470 CO -0.07 0.49 -0.08 0.08 -0.55 0.00 0.00 175.29 175.16 1pgu s VAL 471 N -0.31 2.78 0.28 1.34 1.01 -0.52 -0.35 120.40 124.63 1pgu s VAL 471 Ca 0.05 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1pgu s VAL 471 Cb -0.12 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1pgu s VAL 471 CO 0.02 0.26 0.45 -0.36 0.00 0.00 0.00 175.10 175.47 1pgu s PHE 472 N 1.32 3.48 -0.03 5.22 0.40 0.64 -2.26 117.98 126.75 1pgu s PHE 472 Ca 0.01 0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 56.31 1pgu s PHE 472 Cb -0.16 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 1pgu s PHE 472 CO -0.06 0.29 0.70 0.15 0.70 0.00 0.00 175.22 177.00 1pgu s LYS 473 N -4.03 4.43 0.46 0.44 1.02 -0.71 -1.56 119.74 119.79 1pgu s LYS 473 Ca 0.37 0.90 0.22 0.00 0.02 0.00 0.00 55.97 57.48 1pgu s LYS 473 Cb -0.10 -3.41 1.13 0.00 -0.52 0.00 0.00 37.83 34.94 1pgu s LYS 473 CO 0.32 0.18 1.96 1.25 -0.92 0.00 0.00 175.35 178.14 1pgu h LEU 474 N 6.26 0.00 0.00 3.17 7.12 -1.51 -2.54 115.31 127.82 1pgu h LEU 474 Ca -0.43 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.58 1pgu h LEU 474 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1pgu h LEU 474 CO 0.73 0.21 -0.28 -1.54 -0.13 0.00 0.00 178.44 177.43 1pgu n SER 475 N -3.76 0.44 -3.16 1.25 3.41 -1.26 -4.67 113.62 105.86 1pgu n SER 475 Ca -0.02 0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1pgu n SER 475 Cb 0.32 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1pgu n SER 475 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pgu s ASP 476 N -3.53 -1.47 0.00 4.04 -1.08 -0.96 -5.02 116.67 108.66 1pgu s ASP 476 Ca 0.11 -0.20 0.09 0.00 -0.52 0.00 0.00 52.55 52.04 1pgu s ASP 476 Cb 0.16 1.89 0.56 0.00 -1.46 0.00 0.00 42.92 44.07 1pgu s ASP 476 CO 0.63 -0.23 1.00 0.18 0.52 0.00 0.00 175.17 177.28 1pgu n LEU 477 N 4.95 0.00 0.06 -1.34 4.77 -1.22 -1.28 117.00 122.95 1pgu n LEU 477 Ca 0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1pgu n LEU 477 Cb 0.56 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.83 1pgu n LEU 477 CO -0.04 0.00 0.38 -0.33 -1.33 0.00 0.00 177.39 176.06 1pgu h GLU 478 N 0.00 0.00 -4.88 3.23 5.08 -1.95 -3.45 114.58 112.61 1pgu h GLU 478 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1pgu h GLU 478 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1pgu h GLU 478 CO 0.00 0.00 -0.58 0.08 -1.00 0.00 0.00 179.01 177.51 1pgu s VAL 479 N -3.17 4.60 0.17 3.13 1.01 -0.41 -5.07 120.40 120.66 1pgu s VAL 479 Ca 0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1pgu s VAL 479 Cb 0.13 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1pgu s VAL 479 CO 0.71 0.23 0.50 -0.94 0.00 0.00 0.00 175.10 175.60 1pgu s SER 480 N 1.64 -0.29 0.05 3.32 1.04 -1.26 -1.74 113.70 116.47 1pgu s SER 480 Ca 0.06 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1pgu s SER 480 Cb -0.16 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1pgu s SER 480 CO 0.06 -0.99 -0.04 0.72 0.98 0.00 0.00 173.24 173.97 1pgu s PHE 481 N -3.84 0.53 -0.10 5.02 -0.12 -0.96 -4.97 117.98 113.54 1pgu s PHE 481 Ca 0.07 -0.90 -0.03 0.00 -0.05 0.00 0.00 56.93 56.02 1pgu s PHE 481 Cb -0.00 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1pgu s PHE 481 CO -0.07 -0.29 0.02 -0.51 -0.05 0.00 0.00 175.22 174.33 1pgu s ASP 482 N -2.54 5.39 0.14 1.98 1.01 -1.26 -1.44 116.67 119.94 1pgu s ASP 482 Ca 0.02 0.16 -0.30 0.00 0.71 0.00 0.00 52.55 53.14 1pgu s ASP 482 Cb 0.03 -1.61 -0.08 0.00 1.01 0.00 0.00 42.92 42.27 1pgu s ASP 482 CO -0.07 0.35 1.28 -0.76 0.21 0.00 0.00 175.17 176.19 1pgu s LEU 483 N -0.72 4.40 0.20 1.23 1.43 -0.78 -4.91 118.68 119.52 1pgu s LEU 483 Ca 0.12 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.37 1pgu s LEU 483 Cb -0.12 -3.60 0.25 0.00 0.03 0.00 0.00 46.19 42.76 1pgu s LEU 483 CO 0.02 -0.52 1.74 0.11 0.23 0.00 0.00 176.35 177.93 1pgu h LYS 484 N 6.08 0.36 -5.41 1.70 1.57 -1.81 -3.42 116.57 115.63 1pgu h LYS 484 Ca -0.43 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 57.72 1pgu h LYS 484 Cb 1.21 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 1pgu h LYS 484 CO 0.80 0.24 -0.44 0.99 -0.57 0.00 0.00 179.45 180.46 1pgu s THR 485 N -6.10 5.39 0.56 -0.16 2.01 -1.26 -5.10 115.64 110.97 1pgu s THR 485 Ca -0.13 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1pgu s THR 485 Cb 0.17 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 69.23 1pgu s THR 485 CO 0.74 0.47 0.77 -2.16 -0.69 0.00 0.00 174.62 173.75 1pgu s PRO 486 N 0.08 2.42 0.67 4.92 0.04 -1.26 -4.81 135.00 137.07 1pgu s PRO 486 Ca 0.12 -1.04 -0.06 0.00 0.04 0.00 0.00 61.00 60.06 1pgu s PRO 486 Cb -0.12 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 31.94 1pgu s PRO 486 CO 0.01 -0.77 0.97 -0.51 0.04 0.00 0.00 177.00 176.74 1pgu s LEU 487 N -4.73 2.93 0.00 -3.56 1.43 -0.61 -4.99 118.68 109.16 1pgu s LEU 487 Ca 0.59 0.46 0.27 0.00 -1.03 0.00 0.00 54.13 54.42 1pgu s LEU 487 Cb -0.09 -3.16 0.95 0.00 0.03 0.00 0.00 46.19 43.92 1pgu s LEU 487 CO 0.38 -1.46 1.69 0.54 0.23 0.00 0.00 176.35 177.73 1pgu n ARG 488 N -2.81 0.83 -3.90 1.70 1.74 -1.26 -4.80 116.66 108.16 1pgu n ARG 488 Ca 0.07 -0.42 -0.09 0.00 -0.77 0.00 0.00 57.85 56.64 1pgu n ARG 488 Cb 0.60 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1pgu n ARG 488 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pgu s ALA 489 N -2.46 -0.62 -0.03 7.54 0.00 -1.26 -5.10 121.76 119.83 1pgu s ALA 489 Ca 0.27 -0.71 -0.37 0.00 0.00 0.00 0.00 51.96 51.14 1pgu s ALA 489 Cb 0.20 0.89 -0.16 0.00 0.00 0.00 0.00 23.12 24.05 1pgu s ALA 489 CO 0.49 -0.95 1.51 1.17 0.00 0.00 0.00 175.76 177.98 1pgu n LYS 490 N -0.47 1.28 -1.73 0.00 4.81 -1.26 -4.65 118.16 116.14 1pgu n LYS 490 Ca -0.04 0.47 -0.42 0.00 -0.87 0.00 0.00 58.31 57.44 1pgu n LYS 490 Cb 0.60 -2.14 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1pgu n LYS 490 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1pgu n PRO 491 N 3.66 2.69 -0.04 1.64 -0.02 -1.26 -1.56 135.00 140.11 1pgu n PRO 491 Ca 0.21 0.96 -0.03 0.00 -2.02 0.00 0.00 63.50 62.62 1pgu n PRO 491 Cb 0.19 -2.77 -0.07 0.00 -0.02 0.00 0.00 33.50 30.83 1pgu n PRO 491 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pgu n SER 492 N 2.88 2.87 -3.64 2.55 3.41 -0.25 -4.43 113.62 117.01 1pgu n SER 492 Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1pgu n SER 492 Cb 0.36 0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.26 -0.80 0.05 7.33 5.04 -1.10 -4.80 117.35 120.80 1pgu s TYR 493 Ca -0.04 1.90 0.05 0.00 -2.44 0.00 0.00 57.07 56.54 1pgu s TYR 493 Cb 0.03 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.62 1pgu s TYR 493 CO 0.36 -0.39 -0.14 0.42 -1.34 0.00 0.00 175.55 174.46 1pgu s ILE 494 N 0.53 1.14 -0.21 3.14 1.01 -1.26 -1.15 121.20 124.39 1pgu s ILE 494 Ca -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 1pgu s ILE 494 Cb -0.05 -1.05 0.11 0.00 0.01 0.00 0.00 42.46 41.48 1pgu s ILE 494 CO -0.02 -0.06 0.28 -0.55 0.00 0.00 0.00 174.94 174.59 1pgu s SER 495 N -1.34 0.93 0.17 3.58 0.15 0.54 -4.49 113.70 113.23 1pgu s SER 495 Ca 0.01 -0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1pgu s SER 495 Cb -0.09 0.66 -0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1pgu s SER 495 CO 0.02 -0.31 1.07 -0.63 1.20 0.00 0.00 173.24 174.59 1pgu s ILE 496 N 2.41 3.96 0.68 6.45 1.01 -1.26 -1.12 121.20 133.33 1pgu s ILE 496 Ca 0.09 1.70 -0.17 0.00 0.00 0.00 0.00 60.65 62.27 1pgu s ILE 496 Cb -0.15 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.24 1pgu s ILE 496 CO -0.13 0.29 1.25 -0.55 0.00 0.00 0.00 174.94 175.80 1pgu s SER 497 N -0.16 4.47 0.39 3.58 0.15 0.16 -4.85 113.70 117.44 1pgu s SER 497 Ca 0.49 2.50 0.12 0.00 0.70 0.00 0.00 55.95 59.75 1pgu s SER 497 Cb -0.28 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.34 1pgu s SER 497 CO 0.34 -2.09 1.90 1.55 1.20 0.00 0.00 173.24 176.14 1pgu h PRO 498 N 0.23 0.55 -0.01 5.44 0.13 -1.94 0.29 132.00 136.69 1pgu h PRO 498 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1pgu h PRO 498 Cb 1.32 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1pgu h PRO 498 CO 0.52 0.37 -0.15 -1.13 -0.23 0.00 0.00 178.00 177.38 1pgu n SER 499 N -4.52 0.91 -0.84 1.44 3.41 -1.26 -4.91 113.62 107.85 1pgu n SER 499 Ca 0.15 -0.92 -0.10 0.00 -0.26 0.00 0.00 58.87 57.74 1pgu n SER 499 Cb 0.48 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.59 -0.74 0.08 4.33 1.02 0.10 -4.89 120.64 119.95 1pgu n GLU 500 Ca 0.15 0.83 -0.14 0.00 -0.02 0.00 0.00 57.16 57.98 1pgu n GLU 500 Cb 0.32 -4.78 -0.14 0.00 -0.02 0.00 0.00 31.44 26.82 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 1.46 -3.02 2.62 2.02 -1.91 -3.43 112.91 110.65 1pgu h THR 501 Ca -0.22 -3.08 -0.44 0.00 0.77 0.00 0.00 66.41 63.44 1pgu h THR 501 Cb 0.74 2.87 -0.14 0.00 -1.74 0.00 0.00 68.15 69.88 1pgu h THR 501 CO 0.31 0.88 -0.63 -0.31 0.37 0.00 0.00 175.52 176.14 1pgu s TYR 502 N -2.66 1.82 -0.19 3.16 1.51 -1.26 -1.54 117.35 118.19 1pgu s TYR 502 Ca -0.04 -0.93 -0.05 0.00 -1.01 0.00 0.00 57.07 55.04 1pgu s TYR 502 Cb 0.08 -1.13 0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1pgu s TYR 502 CO 0.86 0.00 0.12 0.42 -1.11 0.00 0.00 175.55 175.85 1pgu s ILE 503 N -3.33 -0.14 0.02 2.71 1.01 -0.78 0.38 121.20 121.07 1pgu s ILE 503 Ca 0.34 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 1pgu s ILE 503 Cb 0.07 -0.62 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 1pgu s ILE 503 CO 0.13 -0.29 0.47 0.00 0.00 0.00 0.00 174.94 175.25 1pgu s ALA 504 N 2.18 3.64 -0.14 9.38 0.00 -0.27 -1.45 121.76 135.10 1pgu s ALA 504 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1pgu s ALA 504 Cb -0.16 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.53 1pgu s ALA 504 CO -0.11 0.42 0.32 0.00 0.00 0.00 0.00 175.76 176.38 1pgu s ALA 505 N -0.99 -0.76 0.30 0.00 0.00 -0.53 -0.34 121.76 119.44 1pgu s ALA 505 Ca 0.26 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1pgu s ALA 505 Cb -0.18 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1pgu s ALA 505 CO 0.15 -0.48 0.05 0.20 0.00 0.00 0.00 175.76 175.69 1pgu s GLY 506 N 1.97 1.81 0.51 0.00 0.00 -0.30 -0.81 107.32 110.50 1pgu s GLY 506 Ca -0.04 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 42.93 1pgu s GLY 506 CO -0.10 -1.76 0.03 0.51 0.00 0.00 0.00 173.10 171.78 1pgu s ASP 507 N -3.74 3.93 0.00 1.64 1.47 -0.33 -1.10 116.67 118.54 1pgu s ASP 507 Ca 0.34 -1.70 -0.01 0.00 1.18 0.00 0.00 52.55 52.36 1pgu s ASP 507 Cb -0.04 0.64 -0.06 0.00 -0.34 0.00 0.00 42.92 43.11 1pgu s ASP 507 CO 0.21 -0.92 1.49 1.33 0.68 0.00 0.00 175.17 177.96 1pgu n VAL 508 N -1.24 1.22 -0.75 2.11 0.24 -0.60 -2.70 118.33 116.62 1pgu n VAL 508 Ca -0.18 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1pgu n VAL 508 Cb 0.67 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 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 2.23 1.00 3.75 7.63 0.00 -1.12 -3.11 105.19 115.57 1pgu n GLY 510 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.53 -0.07 1.61 2.47 -1.26 -0.79 119.74 126.22 1pgu s LYS 511 Ca 0.00 1.12 0.01 0.00 -1.56 0.00 0.00 55.97 55.55 1pgu s LYS 511 Cb 0.00 -3.35 0.02 0.00 -1.46 0.00 0.00 37.83 33.04 1pgu s LYS 511 CO 0.00 0.33 -0.10 0.42 0.16 0.00 0.00 175.35 176.16 1pgu s ILE 512 N -0.26 1.03 -0.01 5.43 1.01 -1.26 -1.18 121.20 125.96 1pgu s ILE 512 Ca 0.39 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1pgu s ILE 512 Cb -0.21 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1pgu s ILE 512 CO 0.24 0.34 -0.18 -0.76 0.00 0.00 0.00 174.94 174.59 1pgu s LEU 513 N 0.94 2.56 -0.26 2.97 1.43 0.01 -4.60 118.68 121.73 1pgu s LEU 513 Ca -0.10 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1pgu s LEU 513 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1pgu s LEU 513 CO 0.00 0.31 0.11 -0.22 0.23 0.00 0.00 176.35 176.78 1pgu s LEU 514 N -0.95 3.65 0.16 1.79 0.20 -1.03 -1.45 118.68 121.05 1pgu s LEU 514 Ca 0.12 -0.18 0.07 0.00 0.69 0.00 0.00 54.13 54.83 1pgu s LEU 514 Cb -0.10 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 1pgu s LEU 514 CO 0.02 -0.05 0.02 -0.31 -0.29 0.00 0.00 176.35 175.74 1pgu s TYR 515 N 1.65 2.92 -0.48 5.38 1.51 -0.53 -0.49 117.35 127.31 1pgu s TYR 515 Ca 0.06 -0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 1pgu s TYR 515 Cb -0.15 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1pgu s TYR 515 CO 0.06 0.51 0.49 0.34 -1.11 0.00 0.00 175.55 175.84 1pgu s ASP 516 N -2.86 6.18 0.19 2.29 -1.08 0.14 -1.86 116.67 119.67 1pgu s ASP 516 Ca 0.28 -1.05 -0.17 0.00 -0.52 0.00 0.00 52.55 51.09 1pgu s ASP 516 Cb -0.10 -2.23 0.16 0.00 -1.46 0.00 0.00 42.92 39.29 1pgu s ASP 516 CO 0.19 -0.73 1.62 0.25 0.52 0.00 0.00 175.17 177.03 1pgu h LEU 517 N 9.18 -0.70 -0.58 -1.34 6.46 -1.55 0.61 115.31 127.39 1pgu h LEU 517 Ca -0.28 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1pgu h LEU 517 Cb 1.10 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 41.41 1pgu h LEU 517 CO 0.90 -0.23 0.33 -0.61 -0.62 0.00 0.00 178.44 178.20 1pgu h GLN 518 N -0.08 0.81 -0.01 1.25 5.75 -1.83 -2.45 115.11 118.55 1pgu h GLN 518 Ca 0.24 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1pgu h GLN 518 Cb 0.46 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1pgu h GLN 518 CO -0.57 0.61 -0.21 -1.13 -2.65 0.00 0.00 178.83 174.88 1pgu n SER 519 N -4.59 1.15 -1.99 -0.69 3.41 -1.02 -4.91 113.62 104.97 1pgu n SER 519 Ca 0.04 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 1pgu n SER 519 Cb 0.08 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.46 -1.92 -3.99 4.33 1.85 0.21 -4.93 116.66 111.76 1pgu n ARG 520 Ca 0.13 0.52 -0.22 0.00 -1.00 0.00 0.00 57.85 57.28 1pgu n ARG 520 Cb 0.35 -4.94 -0.05 0.00 -1.05 0.00 0.00 32.46 26.77 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 -4.16 2.61 -0.04 2.89 2.56 -1.15 -2.29 118.70 119.12 1pgu s GLU 521 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 54.97 53.32 1pgu s GLU 521 Cb 0.00 -2.37 -0.02 0.00 2.00 0.00 0.00 34.13 33.74 1pgu s GLU 521 CO 0.00 0.17 0.99 0.08 -0.56 0.00 0.00 175.26 175.93 1pgu s VAL 522 N -2.32 4.84 -0.08 3.70 1.01 -1.26 0.28 120.40 126.56 1pgu s VAL 522 Ca 0.38 2.05 0.11 0.00 0.00 0.00 0.00 61.98 64.51 1pgu s VAL 522 Cb -0.05 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 1pgu s VAL 522 CO 0.25 0.11 0.50 1.17 0.00 0.00 0.00 175.10 177.13 1pgu n LYS 523 N 4.26 0.66 -3.63 2.72 4.81 0.35 -4.85 118.16 122.47 1pgu n LYS 523 Ca 0.07 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.63 1pgu n LYS 523 Cb 0.50 -1.73 -0.07 0.00 0.02 0.00 0.00 35.03 33.75 1pgu n LYS 523 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1pgu s THR 524 N -2.57 0.00 -0.07 3.15 -1.32 -1.20 -5.02 115.64 108.61 1pgu s THR 524 Ca -0.09 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.50 1pgu s THR 524 Cb 0.07 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.22 1pgu s THR 524 CO 0.81 0.00 1.05 -1.54 -2.21 0.00 0.00 174.62 172.73 1pgu n SER 525 N 2.90 1.69 -0.38 8.08 3.41 -1.26 -2.48 113.62 125.57 1pgu n SER 525 Ca -0.15 -2.53 0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1pgu n SER 525 Cb 0.56 -0.27 0.54 0.00 -0.26 0.00 0.00 64.21 64.77 1pgu n SER 525 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pgu n ARG 526 N -0.89 1.52 -2.09 4.33 5.12 -1.26 -4.88 116.66 118.51 1pgu n ARG 526 Ca 0.09 -0.77 -0.42 0.00 -1.93 0.00 0.00 57.85 54.82 1pgu n ARG 526 Cb 0.56 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 1pgu n ARG 526 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1pgu s TRP 527 N -1.93 2.61 -0.10 -1.55 0.51 -1.26 -4.88 118.94 112.34 1pgu s TRP 527 Ca 0.36 0.57 -0.40 0.00 -2.12 0.00 0.00 56.10 54.51 1pgu s TRP 527 Cb 0.19 -3.80 -0.18 0.00 -0.81 0.00 0.00 33.47 28.87 1pgu s TRP 527 CO 0.30 -3.13 1.40 0.00 -0.51 0.00 0.00 176.95 175.02 1pgu n ALA 528 N 5.61 -1.51 -1.82 0.98 0.00 -1.26 -4.67 120.51 117.85 1pgu n ALA 528 Ca 0.15 0.51 -0.41 0.00 0.00 0.00 0.00 53.44 53.68 1pgu n ALA 528 Cb 0.42 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 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 1.42 2.92 -0.70 0.00 5.36 -1.26 -4.81 117.98 120.91 1pgu s PHE 529 Ca 0.92 1.08 0.23 0.00 -0.96 0.00 0.00 56.93 58.20 1pgu s PHE 529 Cb -1.13 -3.86 -0.01 0.00 -0.34 0.00 0.00 43.02 37.68 1pgu s PHE 529 CO 0.59 -2.71 0.99 0.54 -1.46 0.00 0.00 175.22 173.17 1pgu n ARG 530 N 1.74 0.21 -1.27 10.12 5.12 0.03 -4.94 116.66 127.67 1pgu n ARG 530 Ca 0.05 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 1pgu n ARG 530 Cb 0.40 -1.55 -0.04 0.00 -1.16 0.00 0.00 32.46 30.11 1pgu n ARG 530 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1pgu n THR 531 N -1.81 0.00 -3.69 0.55 -1.04 -1.26 -4.90 114.28 102.12 1pgu n THR 531 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 1pgu n THR 531 Cb 0.41 -1.45 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 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 -2.34 -0.36 0.16 8.00 0.15 -1.26 -4.84 113.70 113.22 1pgu s SER 532 Ca 0.00 0.39 -0.34 0.00 0.70 0.00 0.00 55.95 56.70 1pgu s SER 532 Cb 0.00 0.48 -0.15 0.00 -1.71 0.00 0.00 66.02 64.64 1pgu s SER 532 CO 0.00 -0.44 1.42 1.17 1.20 0.00 0.00 173.24 176.59 1pgu n LYS 533 N 1.44 1.75 -2.91 5.44 4.81 -1.18 -2.79 118.16 124.72 1pgu n LYS 533 Ca -0.20 0.63 -0.41 0.00 -0.87 0.00 0.00 58.31 57.46 1pgu n LYS 533 Cb 0.56 -2.30 -0.04 0.00 0.02 0.00 0.00 35.03 33.27 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 0.43 4.92 -0.06 3.15 1.09 -1.10 -0.53 121.20 129.10 1pgu s ILE 534 Ca 0.77 1.62 0.12 0.00 -1.10 0.00 0.00 60.65 62.06 1pgu s ILE 534 Cb -0.76 -4.13 -0.18 0.00 -1.06 0.00 0.00 42.46 36.33 1pgu s ILE 534 CO 0.45 0.10 0.29 0.59 -0.10 0.00 0.00 174.94 176.26 1pgu n ASN 535 N 4.74 2.09 -3.67 3.58 3.02 -0.36 -4.08 115.26 120.57 1pgu n ASN 535 Ca 0.03 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.39 1pgu n ASN 535 Cb 0.50 1.50 -0.08 0.00 -0.61 0.00 0.00 39.78 41.09 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 -2.77 -1.47 -0.04 5.41 0.00 -1.03 -4.74 121.76 117.12 1pgu s ALA 536 Ca -0.04 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1pgu s ALA 536 Cb 0.08 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1pgu s ALA 536 CO 0.50 -0.29 -0.01 0.42 0.00 0.00 0.00 175.76 176.38 1pgu s ILE 537 N 0.53 0.28 -0.09 0.00 1.01 -1.26 -0.99 121.20 120.69 1pgu s ILE 537 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1pgu s ILE 537 Cb -0.05 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.10 1pgu s ILE 537 CO -0.02 0.18 0.18 -0.55 0.00 0.00 0.00 174.94 174.72 1pgu s SER 538 N 1.10 0.12 0.07 3.58 0.15 0.23 -4.83 113.70 114.13 1pgu s SER 538 Ca -0.09 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 56.65 1pgu s SER 538 Cb -0.14 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1pgu s SER 538 CO -0.02 -0.19 1.08 0.26 1.20 0.00 0.00 173.24 175.58 1pgu s TRP 539 N 1.60 3.59 -0.04 3.44 0.52 -1.26 -1.04 118.94 125.75 1pgu s TRP 539 Ca -0.05 1.55 -0.30 0.00 0.02 0.00 0.00 56.10 57.32 1pgu s TRP 539 Cb -0.11 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1pgu s TRP 539 CO -0.07 -0.56 1.20 0.21 0.02 0.00 0.00 176.95 177.76 1pgu s LYS 540 N 0.60 4.36 0.43 4.98 2.20 -1.00 -4.85 119.74 126.46 1pgu s LYS 540 Ca 0.53 1.68 -0.22 0.00 -0.36 0.00 0.00 55.97 57.61 1pgu s LYS 540 Cb -0.26 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1pgu s LYS 540 CO 0.30 -0.43 0.99 -1.25 -0.36 0.00 0.00 175.35 174.61 1pgu s PRO 541 N 2.09 4.11 0.61 4.03 0.04 -1.26 -4.84 135.00 139.77 1pgu s PRO 541 Ca 0.56 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1pgu s PRO 541 Cb -0.25 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1pgu s PRO 541 CO 0.23 -0.15 1.21 0.00 0.04 0.00 0.00 177.00 178.32 1pgu s ALA 542 N -1.98 2.51 0.19 8.56 0.00 -1.26 -4.62 121.76 125.16 1pgu s ALA 542 Ca 0.62 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1pgu s ALA 542 Cb -0.14 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.64 1pgu s ALA 542 CO 0.18 -1.22 1.83 1.49 0.00 0.00 0.00 175.76 178.04 1pgu h GLU 543 N 0.77 0.91 0.00 0.00 4.57 -1.95 -3.45 114.58 115.42 1pgu h GLU 543 Ca -0.50 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1pgu h GLU 543 Cb 1.30 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1pgu h GLU 543 CO 0.55 0.65 0.00 0.39 -1.18 0.00 0.00 179.01 179.41 1pgu n GLU 550 N -4.57 0.00 0.29 1.92 1.02 -1.26 -5.13 120.64 112.91 1pgu n GLU 550 Ca 0.05 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.38 1pgu n GLU 550 Cb 0.06 -0.54 0.84 0.00 -0.02 0.00 0.00 31.44 31.78 1pgu n GLU 550 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pgu h ILE 551 N 0.00 0.00 -3.02 -3.67 5.03 -2.01 -3.44 117.51 110.40 1pgu h ILE 551 Ca 0.00 -0.34 -0.53 0.00 -0.12 0.00 0.00 64.86 63.87 1pgu h ILE 551 Cb 0.00 1.32 0.05 0.00 -3.03 0.00 0.00 36.82 35.17 1pgu h ILE 551 CO 0.00 0.00 0.87 -1.61 -0.68 0.00 0.00 178.15 176.73 1pgu s GLU 552 N -3.80 4.20 0.41 2.37 2.02 -1.26 -4.85 118.70 117.79 1pgu s GLU 552 Ca -0.01 2.41 -0.27 0.00 0.02 0.00 0.00 54.97 57.13 1pgu s GLU 552 Cb 0.10 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 1pgu s GLU 552 CO 0.49 -0.58 1.39 -1.21 0.02 0.00 0.00 175.26 175.37 1pgu s GLU 553 N 0.51 3.95 0.21 1.61 2.02 -1.26 -4.88 118.70 120.87 1pgu s GLU 553 Ca 0.67 2.35 0.00 0.00 0.02 0.00 0.00 54.97 58.01 1pgu s GLU 553 Cb -0.45 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1pgu s GLU 553 CO 0.37 -0.58 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 1pgu n ASP 554 N 0.18 -1.61 -4.74 -0.19 2.03 -1.26 -4.77 116.55 106.20 1pgu n ASP 554 Ca 0.03 0.40 -0.41 0.00 0.52 0.00 0.00 54.79 55.34 1pgu n ASP 554 Cb 0.42 1.70 -0.05 0.00 -0.72 0.00 0.00 41.12 42.47 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 -5.96 4.52 -0.11 -2.67 1.02 -1.26 -0.04 118.68 114.18 1pgu s LEU 555 Ca 0.00 1.94 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 1pgu s LEU 555 Cb 0.00 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.65 1pgu s LEU 555 CO 0.00 -0.09 0.03 0.68 0.02 0.00 0.00 176.35 176.99 1pgu s VAL 556 N -0.31 0.29 0.31 -1.59 -7.23 -0.62 -2.38 120.40 108.87 1pgu s VAL 556 Ca 0.47 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.29 1pgu s VAL 556 Cb -0.26 -0.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.96 1pgu s VAL 556 CO 0.32 0.05 1.07 0.00 -0.31 0.00 0.00 175.10 176.23 1pgu s ALA 557 N 1.99 3.31 -0.07 1.32 0.00 -0.21 -1.17 121.76 126.93 1pgu s ALA 557 Ca 0.03 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1pgu s ALA 557 Cb -0.14 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1pgu s ALA 557 CO -0.06 -0.14 0.23 0.95 0.00 0.00 0.00 175.76 176.73 1pgu s THR 558 N -1.30 0.01 0.12 0.00 -4.23 0.18 -0.60 115.64 109.82 1pgu s THR 558 Ca 0.48 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.96 1pgu s THR 558 Cb -0.29 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 1pgu s THR 558 CO 0.36 -0.06 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.38 1pgu s GLY 559 N -0.13 1.18 0.26 3.99 0.00 -0.16 -0.30 107.32 112.16 1pgu s GLY 559 Ca -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.38 1pgu s GLY 559 CO 0.01 -1.31 0.34 -1.35 0.00 0.00 0.00 173.10 170.78 1pgu s SER 560 N -2.21 0.44 0.06 1.64 1.04 -1.06 -1.23 113.70 112.38 1pgu s SER 560 Ca 0.08 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.23 1pgu s SER 560 Cb -0.08 0.53 0.20 0.00 0.10 0.00 0.00 66.02 66.77 1pgu s SER 560 CO 0.04 -1.07 1.10 -0.11 0.98 0.00 0.00 173.24 174.18 1pgu n LEU 561 N -0.42 0.09 -0.90 2.42 7.94 0.30 -1.18 117.00 125.26 1pgu n LEU 561 Ca 0.01 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1pgu n LEU 561 Cb 0.63 -0.54 0.08 0.00 0.53 0.00 0.00 43.42 44.12 1pgu n LEU 561 CO 0.29 -0.56 0.45 -0.90 -1.11 0.00 0.00 177.39 175.55 1pgu n ASP 562 N -1.62 2.27 0.00 1.96 5.75 -1.26 -3.95 116.55 119.70 1pgu n ASP 562 Ca -0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1pgu n ASP 562 Cb 0.02 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1pgu n ASP 562 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1pgu n THR 563 N 0.14 0.00 -3.48 2.12 -2.24 -0.33 -4.70 114.28 105.79 1pgu n THR 563 Ca 0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 1pgu n THR 563 Cb 0.52 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.80 6.30 -0.27 3.42 0.01 -1.25 0.06 114.94 121.42 1pgu s ASN 564 Ca 0.00 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.56 1pgu s ASN 564 Cb 0.00 -2.01 0.05 0.00 0.41 0.00 0.00 41.25 39.71 1pgu s ASN 564 CO 0.00 -0.25 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.63 1pgu s ILE 565 N -2.25 2.43 -0.19 0.60 1.01 -0.79 -2.57 121.20 119.44 1pgu s ILE 565 Ca 0.39 -1.51 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 1pgu s ILE 565 Cb -0.10 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1pgu s ILE 565 CO 0.35 -0.01 -0.07 -0.36 0.00 0.00 0.00 174.94 174.84 1pgu s PHE 566 N 1.16 2.92 -0.41 3.97 0.40 0.59 -1.33 117.98 125.29 1pgu s PHE 566 Ca -0.07 -0.83 -0.12 0.00 -0.60 0.00 0.00 56.93 55.31 1pgu s PHE 566 Cb -0.19 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.36 1pgu s PHE 566 CO -0.04 -0.43 0.27 0.42 0.70 0.00 0.00 175.22 176.15 1pgu s ILE 567 N 1.09 4.80 0.82 0.64 1.01 -0.15 -0.64 121.20 128.77 1pgu s ILE 567 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1pgu s ILE 567 Cb -0.15 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.71 1pgu s ILE 567 CO -0.01 -0.37 1.14 -0.31 0.00 0.00 0.00 174.94 175.40 1pgu s TYR 568 N 1.58 1.87 -0.04 3.97 1.51 -0.31 -2.62 117.35 123.31 1pgu s TYR 568 Ca 0.03 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.22 1pgu s TYR 568 Cb -0.21 -3.52 0.03 0.00 -0.11 0.00 0.00 41.96 38.15 1pgu s TYR 568 CO 0.07 -2.06 0.03 0.45 -1.11 0.00 0.00 175.55 172.93 1pgu s SER 569 N -4.76 0.72 0.06 2.29 0.15 -1.25 -1.59 113.70 109.32 1pgu s SER 569 Ca 0.68 0.03 -0.24 0.00 0.70 0.00 0.00 55.95 57.12 1pgu s SER 569 Cb -0.06 -0.17 -0.16 0.00 -1.71 0.00 0.00 66.02 63.92 1pgu s SER 569 CO 0.48 -0.18 1.61 0.58 1.20 0.00 0.00 173.24 176.94 1pgu h VAL 570 N 6.34 1.11 -0.43 4.45 2.07 -0.78 -2.39 116.25 126.62 1pgu h VAL 570 Ca -0.29 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1pgu h VAL 570 Cb 1.12 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1pgu h VAL 570 CO 0.33 0.09 0.26 0.11 0.02 0.00 0.00 177.57 178.37 1pgu h LYS 571 N -0.11 0.59 -2.90 1.57 1.57 -1.86 -3.35 116.57 112.08 1pgu h LYS 571 Ca 0.00 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 58.11 1pgu h LYS 571 Cb 0.14 -0.12 -0.41 0.00 0.08 0.00 0.00 32.23 31.92 1pgu h LYS 571 CO -0.00 0.45 -0.68 1.03 -0.57 0.00 0.00 179.45 179.68 1pgu s ARG 572 N -5.96 2.04 0.00 3.15 1.81 -1.20 -5.09 118.95 113.70 1pgu s ARG 572 Ca -0.13 -3.01 0.00 0.00 -1.72 0.00 0.00 55.73 50.87 1pgu s ARG 572 Cb 0.11 -2.89 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 1pgu s ARG 572 CO 0.74 -1.31 0.00 -2.30 -0.68 0.00 0.00 175.30 171.75 1pgu n PRO 573 N 2.22 0.00 -1.27 3.54 -0.02 -0.90 -4.34 135.00 134.22 1pgu n PRO 573 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1pgu n PRO 573 Cb 0.38 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 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 1.51 0.00 -4.11 -0.52 3.00 -1.26 -4.43 118.16 112.34 1pgu n LYS 575 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1pgu n LYS 575 Cb 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 35.03 34.46 1pgu n LYS 575 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pgu s ILE 576 N 0.00 0.74 -0.26 3.15 1.01 -1.26 -3.83 121.20 120.75 1pgu s ILE 576 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1pgu s ILE 576 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1pgu s ILE 576 CO 0.00 0.29 0.08 -0.63 0.00 0.00 0.00 174.94 174.68 1pgu s ILE 577 N 1.25 4.34 0.15 2.92 1.01 -1.08 -4.96 121.20 124.82 1pgu s ILE 577 Ca -0.05 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1pgu s ILE 577 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1pgu s ILE 577 CO -0.02 0.31 -0.10 -1.59 0.00 0.00 0.00 174.94 173.54 1pgu s LYS 578 N 1.61 1.05 -0.26 2.79 -2.85 -1.26 -0.97 119.74 119.85 1pgu s LYS 578 Ca 0.06 -1.45 -0.01 0.00 -1.00 0.00 0.00 55.97 53.57 1pgu s LYS 578 Cb -0.15 -0.59 0.08 0.00 -2.06 0.00 0.00 37.83 35.10 1pgu s LYS 578 CO 0.04 0.06 0.06 0.00 0.10 0.00 0.00 175.35 175.61 1pgu s ALA 579 N -3.35 1.35 0.54 0.59 0.00 -0.44 -4.65 121.76 115.80 1pgu s ALA 579 Ca 0.17 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 1pgu s ALA 579 Cb 0.03 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 1pgu s ALA 579 CO 0.00 -1.43 1.03 -0.51 0.00 0.00 0.00 175.76 174.85 1pgu s LEU 580 N 1.70 3.61 -1.48 0.00 1.43 -1.26 -1.89 118.68 120.79 1pgu s LEU 580 Ca 0.04 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 1pgu s LEU 580 Cb -0.17 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.58 1pgu s LEU 580 CO -0.17 -0.89 1.03 0.59 0.23 0.00 0.00 176.35 177.14 1pgu n ASN 581 N -1.66 -5.33 -0.01 2.29 3.02 -1.24 -4.92 115.26 107.42 1pgu n ASN 581 Ca 0.08 -0.69 -0.10 0.00 -0.03 0.00 0.00 54.58 53.83 1pgu n ASN 581 Cb 0.53 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 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 0.12 -3.56 5.41 0.00 -0.52 -3.44 119.26 118.25 1pgu h ALA 582 Ca -0.57 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.07 1pgu h ALA 582 Cb 1.37 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.85 1pgu h ALA 582 CO 0.64 -0.42 -0.72 -1.01 0.00 0.00 0.00 179.25 177.74 1pgu s HIS 583 N -6.19 0.01 0.20 0.00 3.76 -1.17 -5.03 115.29 106.87 1pgu s HIS 583 Ca -0.13 0.11 -0.31 0.00 -0.15 0.00 0.00 55.06 54.58 1pgu s HIS 583 Cb 0.08 -0.17 -0.10 0.00 1.11 0.00 0.00 32.58 33.50 1pgu s HIS 583 CO 0.68 -0.07 1.48 0.21 -0.85 0.00 0.00 174.74 176.19 1pgu s LYS 584 N 0.78 4.26 -1.12 1.40 2.20 -1.26 -2.01 119.74 123.99 1pgu s LYS 584 Ca -0.06 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 1pgu s LYS 584 Cb -0.09 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1pgu s LYS 584 CO -0.02 -0.49 0.00 -0.25 -0.36 0.00 0.00 175.35 174.23 1pgu n ASP 585 N 3.14 -4.20 0.00 1.43 8.00 -1.26 -3.09 116.55 120.57 1pgu n ASP 585 Ca 0.10 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1pgu n ASP 585 Cb 0.40 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 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 -1.56 2.58 3.67 0.44 0.00 -0.85 -4.52 105.19 104.94 1pgu n GLY 586 Ca -0.11 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.91 4.83 -0.22 1.61 1.01 -1.04 -1.19 120.40 124.50 1pgu s VAL 587 Ca 0.00 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1pgu s VAL 587 Cb 0.00 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 1pgu s VAL 587 CO 0.00 -0.01 -0.04 0.59 0.00 0.00 0.00 175.10 175.63 1pgu n ASN 588 N 5.41 2.02 -4.19 3.32 3.02 0.16 -4.13 115.26 120.88 1pgu n ASN 588 Ca 0.06 -0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 1pgu n ASN 588 Cb 0.48 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 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 -6.71 1.77 -0.13 6.41 0.01 -1.04 -4.32 114.94 110.93 1pgu s ASN 589 Ca -0.31 -0.65 -0.09 0.00 -0.71 0.00 0.00 52.86 51.10 1pgu s ASN 589 Cb 0.08 -0.06 0.05 0.00 0.41 0.00 0.00 41.25 41.73 1pgu s ASN 589 CO 0.65 -0.08 0.33 -0.22 -1.51 0.00 0.00 177.10 176.27 1pgu s LEU 590 N -1.87 0.35 0.07 0.60 0.20 -1.26 -1.80 118.68 114.98 1pgu s LEU 590 Ca 0.00 0.69 -0.13 0.00 0.69 0.00 0.00 54.13 55.38 1pgu s LEU 590 Cb -0.09 1.07 0.02 0.00 -0.43 0.00 0.00 46.19 46.76 1pgu s LEU 590 CO 0.02 -0.16 0.30 -0.76 -0.29 0.00 0.00 176.35 175.47 1pgu s LEU 591 N 0.95 0.87 -0.46 -0.68 1.43 -0.31 -4.60 118.68 115.89 1pgu s LEU 591 Ca -0.06 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1pgu s LEU 591 Cb -0.07 1.41 0.05 0.00 0.03 0.00 0.00 46.19 47.61 1pgu s LEU 591 CO -0.07 -0.69 0.43 0.26 0.23 0.00 0.00 176.35 176.51 1pgu s TRP 592 N -3.09 3.19 0.19 0.29 0.52 -1.26 -0.44 118.94 118.35 1pgu s TRP 592 Ca -0.01 -0.69 0.06 0.00 0.02 0.00 0.00 56.10 55.47 1pgu s TRP 592 Cb 0.01 -3.08 0.07 0.00 -1.15 0.00 0.00 33.47 29.32 1pgu s TRP 592 CO -0.07 -0.78 1.43 1.49 0.02 0.00 0.00 176.95 179.04 1pgu h GLU 593 N 8.77 0.11 -4.14 4.98 4.81 -1.65 -3.46 114.58 124.01 1pgu h GLU 593 Ca -0.28 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 1pgu h GLU 593 Cb 1.11 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 1pgu h GLU 593 CO 0.85 0.86 -0.61 0.99 -0.73 0.00 0.00 179.01 180.37 1pgu s THR 594 N -3.26 0.20 0.63 0.32 2.01 -1.06 -4.89 115.64 109.59 1pgu s THR 594 Ca -0.02 -1.65 0.37 0.00 0.31 0.00 0.00 61.69 60.70 1pgu s THR 594 Cb 0.11 -1.46 0.40 0.00 0.01 0.00 0.00 72.50 71.56 1pgu s THR 594 CO 0.81 -0.91 2.31 -0.65 -0.69 0.00 0.00 174.62 175.49 1pgu h PRO 595 N 3.09 0.00 -0.19 4.92 0.11 -1.88 -2.50 132.00 135.55 1pgu h PRO 595 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pgu h PRO 595 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pgu h PRO 595 CO 0.63 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 1pgu n SER 596 N -3.49 2.43 -3.85 -2.05 3.41 -1.26 -4.76 113.62 104.05 1pgu n SER 596 Ca -0.03 -1.87 -0.16 0.00 -0.26 0.00 0.00 58.87 56.55 1pgu n SER 596 Cb 0.08 -0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 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 -0.93 0.18 0.14 6.66 -4.23 -0.94 0.11 115.64 116.63 1pgu s THR 597 Ca 0.14 0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1pgu s THR 597 Cb 0.08 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1pgu s THR 597 CO 0.10 0.12 0.04 -0.76 -0.54 0.00 0.00 174.62 173.59 1pgu s LEU 598 N 0.71 3.53 -0.08 4.79 1.43 0.20 -1.65 118.68 127.60 1pgu s LEU 598 Ca -0.07 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1pgu s LEU 598 Cb -0.10 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1pgu s LEU 598 CO -0.01 0.11 -0.12 -0.69 0.23 0.00 0.00 176.35 175.87 1pgu s VAL 599 N -1.60 1.15 0.28 -1.59 1.01 0.42 0.32 120.40 120.39 1pgu s VAL 599 Ca 0.28 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1pgu s VAL 599 Cb -0.10 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1pgu s VAL 599 CO 0.20 0.37 -0.07 -0.94 0.00 0.00 0.00 175.10 174.66 1pgu s SER 600 N 0.92 2.90 0.03 3.32 1.04 0.11 -1.16 113.70 120.86 1pgu s SER 600 Ca -0.10 -1.18 -0.08 0.00 0.48 0.00 0.00 55.95 55.07 1pgu s SER 600 Cb -0.15 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1pgu s SER 600 CO 0.01 -0.31 0.16 -0.94 0.98 0.00 0.00 173.24 173.14 1pgu s SER 601 N -3.46 0.06 0.29 7.02 1.04 -0.74 -0.44 113.70 117.47 1pgu s SER 601 Ca 0.30 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1pgu s SER 601 Cb 0.03 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 1pgu s SER 601 CO 0.12 -0.50 0.36 0.61 0.98 0.00 0.00 173.24 174.81 1pgu n GLY 602 N 0.88 2.52 0.05 7.32 0.00 -0.99 0.36 105.19 115.33 1pgu n GLY 602 Ca -0.20 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.23 1pgu n GLY 602 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgu n ALA 603 N -1.09 1.37 1.25 4.61 0.00 -0.33 -1.40 120.51 124.93 1pgu n ALA 603 Ca -0.11 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1pgu n ALA 603 Cb 0.49 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 19.03 1pgu n ALA 603 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pgu n ASP 604 N -1.78 1.43 -1.06 0.00 5.68 -1.18 -4.17 116.55 115.48 1pgu n ASP 604 Ca 0.01 -1.79 -0.13 0.00 -0.50 0.00 0.00 54.79 52.38 1pgu n ASP 604 Cb 0.11 -0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 39.91 1pgu n ASP 604 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pgu n ALA 605 N 0.21 -0.22 -2.86 2.12 0.00 -0.49 -4.76 120.51 114.51 1pgu n ALA 605 Ca 0.13 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 1pgu n ALA 605 Cb 0.27 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.68 1.59 0.03 0.00 1.01 -1.04 -2.35 121.20 118.76 1pgu s ILE 607 Ca 0.32 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1pgu s ILE 607 Cb -0.11 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1pgu s ILE 607 CO 0.26 0.45 -0.13 -0.54 0.00 0.00 0.00 174.94 174.97 1pgu s LYS 608 N 0.25 0.95 -0.01 2.79 1.02 0.42 -1.04 119.74 124.11 1pgu s LYS 608 Ca -0.10 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1pgu s LYS 608 Cb -0.14 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.19 1pgu s LYS 608 CO 0.04 0.24 -0.04 1.03 -0.92 0.00 0.00 175.35 175.71 1pgu s ARG 609 N -0.91 2.69 0.01 1.68 0.52 -0.75 0.04 118.95 122.23 1pgu s ARG 609 Ca 0.02 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1pgu s ARG 609 Cb -0.07 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1pgu s ARG 609 CO 0.01 0.62 -0.05 -1.58 0.02 0.00 0.00 175.30 174.32 1pgu s TRP 610 N -1.01 0.45 -0.11 -0.53 0.52 0.15 -1.09 118.94 117.33 1pgu s TRP 610 Ca 0.17 -0.21 -0.17 0.00 0.02 0.00 0.00 56.10 55.91 1pgu s TRP 610 Cb -0.11 -0.28 -0.04 0.00 -1.15 0.00 0.00 33.47 31.88 1pgu s TRP 610 CO 0.08 -0.04 0.44 -0.80 0.02 0.00 0.00 176.95 176.65 1pgu s ASN 611 N -0.56 6.66 -0.30 2.95 0.01 -0.60 -0.63 114.94 122.47 1pgu s ASN 611 Ca -0.02 0.78 -0.06 0.00 -0.71 0.00 0.00 52.86 52.85 1pgu s ASN 611 Cb -0.04 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.36 1pgu s ASN 611 CO -0.00 0.06 0.07 -0.69 -1.51 0.00 0.00 177.10 175.03 1pgu s VAL 612 N 0.39 3.89 -0.27 1.60 1.01 0.12 -1.82 120.40 125.32 1pgu s VAL 612 Ca 0.24 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1pgu s VAL 612 Cb -0.15 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1pgu s VAL 612 CO 0.10 0.06 0.02 -0.69 0.00 0.00 0.00 175.10 174.59 1pgu s VAL 613 N 1.48 3.55 -1.75 2.92 1.01 0.26 -4.79 120.40 123.09 1pgu s VAL 613 Ca 0.02 -0.78 0.29 0.00 0.00 0.00 0.00 61.98 61.51 1pgu s VAL 613 Cb -0.17 -2.80 0.51 0.00 0.00 0.00 0.00 36.38 33.92 1pgu s VAL 613 CO 0.02 0.15 1.90 0.18 0.00 0.00 0.00 175.10 177.35 1pgu n LEU 614 N 4.79 0.48 0.00 3.92 4.77 -1.26 0.21 117.00 129.91 1pgu n LEU 614 Ca -0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1pgu n LEU 614 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1pgu n LEU 614 CO 0.30 0.09 0.00 1.21 -1.33 0.00 0.00 177.39 177.65