#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djq s ARG 2 N 0.00 4.65 0.07 0.00 3.52 -1.26 -4.43 118.95 121.50 1djq s ARG 2 Ca 0.00 1.78 -0.31 0.00 -0.13 0.00 0.00 55.73 57.07 1djq s ARG 2 Cb 0.00 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.11 1djq s ARG 2 CO 0.00 0.21 1.52 0.34 -0.81 0.00 0.00 175.30 176.56 1djq s ASP 3 N -0.79 6.71 0.50 -2.12 3.68 -1.26 -4.90 116.67 118.50 1djq s ASP 3 Ca 0.45 2.36 0.28 0.00 2.13 0.00 0.00 52.55 57.77 1djq s ASP 3 Cb -0.31 -2.57 1.37 0.00 -1.45 0.00 0.00 42.92 39.95 1djq s ASP 3 CO 0.40 -0.79 1.86 -0.65 0.13 0.00 0.00 175.17 176.12 1djq h PRO 4 N 7.72 0.12 0.00 4.34 0.11 -2.02 0.35 132.00 142.62 1djq h PRO 4 Ca -0.41 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1djq h PRO 4 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1djq h PRO 4 CO 0.91 0.08 -0.04 0.87 -0.21 0.00 0.00 178.00 179.61 1djq h LYS 5 N 0.13 0.00 -0.08 1.05 1.57 -2.04 -1.47 116.57 115.73 1djq h LYS 5 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1djq h LYS 5 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 1djq h LYS 5 CO -0.07 0.04 0.00 0.72 -0.57 0.00 0.00 179.45 179.56 1djq n HIS 6 N -3.64 0.09 -0.07 -1.35 8.25 0.11 -4.18 115.22 114.44 1djq n HIS 6 Ca -0.03 -0.05 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1djq n HIS 6 Cb 0.13 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.57 1djq n HIS 6 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1djq h ASP 7 N 1.45 0.60 -0.42 0.41 3.32 -1.39 -2.74 116.42 117.65 1djq h ASP 7 Ca 0.00 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.07 1djq h ASP 7 Cb 0.32 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1djq h ASP 7 CO 0.00 0.50 0.29 0.16 -1.72 0.00 0.00 179.24 178.47 1djq h ILE 8 N 0.68 0.94 0.00 0.35 3.07 -1.81 -0.22 117.51 120.52 1djq h ILE 8 Ca 0.17 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.48 1djq h ILE 8 Cb 0.04 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 1djq h ILE 8 CO -0.03 0.05 0.00 0.18 -1.05 0.00 0.00 178.15 177.31 1djq n LEU 9 N -4.47 0.04 -0.63 0.16 4.77 -1.03 -2.25 117.00 113.59 1djq n LEU 9 Ca 0.06 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 1djq n LEU 9 Cb 0.28 -0.51 0.17 0.00 -2.33 0.00 0.00 43.42 41.03 1djq n LEU 9 CO 0.35 -0.36 0.64 0.49 -1.33 0.00 0.00 177.39 177.17 1djq n PHE 10 N -1.54 0.55 -3.05 -1.77 3.01 -0.09 -1.40 117.46 113.16 1djq n PHE 10 Ca 0.02 -0.65 -0.38 0.00 1.01 0.00 0.00 57.45 57.46 1djq n PHE 10 Cb 0.11 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.39 1djq n PHE 10 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1djq s GLU 11 N -1.69 4.40 0.61 -1.08 2.02 -0.95 -4.69 118.70 117.31 1djq s GLU 11 Ca 0.27 1.00 -0.14 0.00 0.02 0.00 0.00 54.97 56.13 1djq s GLU 11 Cb 0.19 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 1djq s GLU 11 CO 0.11 0.49 1.04 -1.25 0.02 0.00 0.00 175.26 175.67 1djq s PRO 12 N -1.56 3.37 -0.01 0.39 0.04 -1.22 -4.04 135.00 131.98 1djq s PRO 12 Ca 0.39 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1djq s PRO 12 Cb -0.20 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1djq s PRO 12 CO 0.23 -0.76 0.01 -1.50 0.04 0.00 0.00 177.00 175.03 1djq s ILE 13 N -2.78 -0.00 -0.11 0.56 2.07 -0.37 -4.96 121.20 115.60 1djq s ILE 13 Ca 0.60 0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 59.67 1djq s ILE 13 Cb -0.13 -0.07 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 1djq s ILE 13 CO 0.44 0.06 0.88 -1.58 -1.91 0.00 0.00 174.94 172.82 1djq s GLN 14 N 0.58 4.39 -0.41 3.50 2.00 -1.26 -0.40 119.66 128.06 1djq s GLN 14 Ca -0.05 1.15 0.03 0.00 -2.00 0.00 0.00 55.36 54.49 1djq s GLN 14 Cb -0.07 -3.53 0.12 0.00 0.80 0.00 0.00 33.01 30.32 1djq s GLN 14 CO -0.02 -0.22 0.16 0.96 -0.50 0.00 0.00 175.29 175.67 1djq s ILE 15 N 1.74 1.97 0.00 -2.34 -4.36 0.40 -4.88 121.20 113.73 1djq s ILE 15 Ca 0.43 -2.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1djq s ILE 15 Cb -0.18 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1djq s ILE 15 CO 0.17 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.23 1djq n GLY 16 N 3.86 2.99 0.27 6.27 0.00 -1.26 -1.55 105.19 115.77 1djq n GLY 16 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1djq n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1djq n PRO 17 N 13.62 1.35 -4.46 1.61 -0.04 -1.26 -4.87 135.00 140.95 1djq n PRO 17 Ca 0.00 -0.54 -0.24 0.00 -0.04 0.00 0.00 63.50 62.68 1djq n PRO 17 Cb 0.00 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1djq n PRO 17 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1djq s LYS 18 N -1.82 1.78 -0.11 0.54 -0.14 -0.59 -5.00 119.74 114.40 1djq s LYS 18 Ca 0.14 -1.76 0.01 0.00 -1.36 0.00 0.00 55.97 53.00 1djq s LYS 18 Cb 0.07 -1.81 0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1djq s LYS 18 CO 0.10 0.30 -0.11 0.99 -0.76 0.00 0.00 175.35 175.87 1djq s THR 19 N -2.51 1.24 -0.01 2.17 2.01 -1.26 -0.46 115.64 116.83 1djq s THR 19 Ca 0.31 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1djq s THR 19 Cb -0.04 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1djq s THR 19 CO 0.16 0.40 0.80 -0.76 -0.69 0.00 0.00 174.62 174.53 1djq s LEU 20 N 1.33 4.38 0.32 4.42 1.43 0.46 -4.92 118.68 126.11 1djq s LEU 20 Ca -0.01 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1djq s LEU 20 Cb -0.14 -3.27 0.56 0.00 0.03 0.00 0.00 46.19 43.37 1djq s LEU 20 CO -0.05 -0.11 1.79 0.08 0.23 0.00 0.00 176.35 178.29 1djq h ARG 21 N 6.38 0.31 0.00 1.70 0.11 -1.87 -0.97 114.38 120.05 1djq h ARG 21 Ca -0.42 -0.11 -0.26 0.00 0.10 0.00 0.00 59.98 59.29 1djq h ARG 21 Cb 1.21 -0.02 -0.06 0.00 1.11 0.00 0.00 29.97 32.20 1djq h ARG 21 CO 0.74 0.55 -0.17 0.27 0.10 0.00 0.00 179.97 181.46 1djq n ASN 22 N -4.15 -1.07 -0.75 0.08 0.23 -1.26 -3.41 115.26 104.93 1djq n ASN 22 Ca -0.01 -2.65 0.05 0.00 -0.53 0.00 0.00 54.58 51.44 1djq n ASN 22 Cb 0.38 2.04 0.16 0.00 -2.08 0.00 0.00 39.78 40.27 1djq n ASN 22 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1djq n ARG 23 N -0.50 2.04 -3.37 -3.83 5.12 -0.49 -4.73 116.66 110.89 1djq n ARG 23 Ca 0.02 -1.27 -0.40 0.00 -1.93 0.00 0.00 57.85 54.27 1djq n ARG 23 Cb 0.50 -1.41 -0.09 0.00 -1.16 0.00 0.00 32.46 30.30 1djq n ARG 23 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1djq s PHE 24 N -1.62 3.22 -0.08 -1.55 0.40 -1.26 -0.00 117.98 117.10 1djq s PHE 24 Ca 0.23 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1djq s PHE 24 Cb 0.14 -2.65 0.02 0.00 0.51 0.00 0.00 43.02 41.03 1djq s PHE 24 CO 0.13 -0.34 -0.07 -0.47 0.70 0.00 0.00 175.22 175.18 1djq s TYR 25 N 2.10 1.16 -0.50 0.36 6.14 -0.53 -0.36 117.35 125.72 1djq s TYR 25 Ca 0.15 -0.46 -0.22 0.00 0.64 0.00 0.00 57.07 57.18 1djq s TYR 25 Cb -0.16 -0.97 0.04 0.00 0.42 0.00 0.00 41.96 41.29 1djq s TYR 25 CO 0.11 -0.34 0.79 -1.14 0.64 0.00 0.00 175.55 175.61 1djq s GLN 26 N 1.26 3.30 0.86 4.97 0.74 -0.58 -1.04 119.66 129.17 1djq s GLN 26 Ca -0.05 -0.37 -0.11 0.00 0.05 0.00 0.00 55.36 54.89 1djq s GLN 26 Cb -0.14 -4.02 0.11 0.00 1.10 0.00 0.00 33.01 30.06 1djq s GLN 26 CO -0.02 -1.26 1.10 0.14 -0.55 0.00 0.00 175.29 174.69 1djq s VAL 27 N 3.33 2.83 0.24 1.34 -7.23 -0.56 -3.14 120.40 117.21 1djq s VAL 27 Ca 0.26 0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 60.39 1djq s VAL 27 Cb -0.14 -2.66 -0.12 0.00 0.56 0.00 0.00 36.38 34.02 1djq s VAL 27 CO 0.19 -0.35 1.68 -2.65 -0.31 0.00 0.00 175.10 173.65 1djq n PRO 28 N -3.83 2.76 -3.67 4.82 -0.02 -1.26 -4.66 135.00 129.13 1djq n PRO 28 Ca 0.08 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.42 1djq n PRO 28 Cb 0.54 -2.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.12 1djq n PRO 28 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1djq s HIS 29 N 0.74 -0.63 0.61 6.00 -3.43 -1.23 -4.90 115.29 112.45 1djq s HIS 29 Ca 0.71 1.50 -0.17 0.00 -0.80 0.00 0.00 55.06 56.30 1djq s HIS 29 Cb -0.50 0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 30.85 1djq s HIS 29 CO 0.38 -0.33 1.14 0.00 -2.00 0.00 0.00 174.74 173.93 1djq s ALA 30 N 0.17 2.55 0.00 -1.38 0.00 -1.26 -3.84 121.76 117.99 1djq s ALA 30 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1djq s ALA 30 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1djq s ALA 30 CO 0.01 -1.10 0.00 0.44 0.00 0.00 0.00 175.76 175.12 1djq n ILE 31 N -1.87 0.00 -1.71 0.00 -5.35 -1.26 -4.99 119.36 104.18 1djq n ILE 31 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1djq n ILE 31 Cb 0.51 1.49 0.00 0.00 -1.74 0.00 0.00 39.64 39.91 1djq n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1djq n GLY 32 N 0.00 0.66 1.03 3.28 0.00 -1.26 -1.34 105.19 107.56 1djq n GLY 32 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1djq n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq n ALA 33 N -1.08 3.00 -0.82 4.61 0.00 -1.26 -4.60 120.51 120.36 1djq n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1djq n ALA 33 Cb 0.42 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1djq n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 34 N 3.01 3.33 0.62 0.00 0.00 -1.26 -1.53 105.19 109.36 1djq n GLY 34 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1djq n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1djq n SER 35 N 3.78 2.66 0.03 1.61 7.64 -1.26 -4.48 113.62 123.61 1djq n SER 35 Ca 0.00 -1.84 -0.00 0.00 1.01 0.00 0.00 58.87 58.04 1djq n SER 35 Cb 0.00 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 1djq n SER 35 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1djq h ASP 36 N 2.22 0.00 -2.64 6.43 5.19 -1.60 -3.41 116.42 122.62 1djq h ASP 36 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1djq h ASP 36 Cb 0.67 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.77 1djq h ASP 36 CO 0.00 0.60 -0.70 0.29 -3.12 0.00 0.00 179.24 176.31 1djq n LYS 37 N -2.91 1.57 -0.25 3.56 5.02 -0.60 -4.89 118.16 119.65 1djq n LYS 37 Ca -0.10 -4.16 0.07 0.00 -2.02 0.00 0.00 58.31 52.10 1djq n LYS 37 Cb 0.85 -2.06 0.31 0.00 -0.02 0.00 0.00 35.03 34.11 1djq n LYS 37 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1djq h PRO 38 N 5.03 0.82 0.02 1.97 0.13 -1.85 -0.82 132.00 137.29 1djq h PRO 38 Ca 0.18 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1djq h PRO 38 Cb 0.77 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1djq h PRO 38 CO 0.65 0.54 -0.01 0.78 -0.23 0.00 0.00 178.00 179.74 1djq h GLY 39 N 0.85 -0.02 0.70 1.56 0.00 -1.93 -0.79 103.07 103.43 1djq h GLY 39 Ca 0.38 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1djq h GLY 39 CO -0.15 -0.01 -0.06 -2.75 0.00 0.00 0.00 176.54 173.57 1djq h PHE 40 N -0.28 -0.16 -0.18 5.60 -0.00 -1.88 0.10 116.94 120.16 1djq h PHE 40 Ca -0.00 0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.02 1djq h PHE 40 Cb 0.27 0.08 -0.03 0.00 -0.00 0.00 0.00 35.95 36.27 1djq h PHE 40 CO 0.01 -0.10 -0.05 0.37 -0.00 0.00 0.00 178.31 178.54 1djq h GLN 41 N -0.07 -0.01 -0.26 1.11 5.75 -1.11 -0.86 115.11 119.66 1djq h GLN 41 Ca 0.06 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 1djq h GLN 41 Cb 0.16 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1djq h GLN 41 CO -0.14 -0.01 -0.17 0.66 -2.65 0.00 0.00 178.83 176.52 1djq h SER 42 N -0.01 0.61 -0.14 -0.69 4.64 -0.88 -2.62 113.55 114.46 1djq h SER 42 Ca 0.09 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1djq h SER 42 Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1djq h SER 42 CO -0.19 0.91 0.06 0.00 -0.87 0.00 0.00 176.83 176.74 1djq h ALA 43 N 0.72 0.18 -0.81 5.18 0.00 -0.72 0.10 119.26 123.91 1djq h ALA 43 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1djq h ALA 43 Cb 0.70 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1djq h ALA 43 CO 0.05 -0.23 0.53 1.25 0.00 0.00 0.00 179.25 180.85 1djq h HIS 44 N 0.07 1.03 0.04 0.00 6.17 -1.20 -1.69 115.15 119.57 1djq h HIS 44 Ca 0.05 0.02 -0.24 0.00 0.71 0.00 0.00 60.37 60.91 1djq h HIS 44 Cb 0.17 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.76 1djq h HIS 44 CO -0.01 0.66 -1.02 0.00 0.71 0.00 0.00 177.93 178.26 1djq h ARG 45 N 1.10 0.37 -0.36 5.26 2.47 -1.39 -3.34 114.38 118.49 1djq h ARG 45 Ca 0.30 -0.45 -0.13 0.00 -1.26 0.00 0.00 59.98 58.44 1djq h ARG 45 Cb -0.11 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1djq h ARG 45 CO -0.06 1.13 -0.29 0.66 0.56 0.00 0.00 179.97 181.97 1djq h SER 46 N 0.19 0.80 0.03 7.04 4.64 -0.43 -2.38 113.55 123.44 1djq h SER 46 Ca -0.09 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1djq h SER 46 Cb 1.68 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1djq h SER 46 CO 0.17 1.04 -0.02 -0.37 -0.87 0.00 0.00 176.83 176.78 1djq h VAL 47 N 0.66 0.82 -0.03 0.95 -1.51 -1.44 0.18 116.25 115.87 1djq h VAL 47 Ca 0.08 -0.07 -0.22 0.00 -1.23 0.00 0.00 66.70 65.25 1djq h VAL 47 Cb 0.82 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1djq h VAL 47 CO 0.07 0.02 -0.88 0.11 -1.23 0.00 0.00 177.57 175.66 1djq h LYS 48 N 0.00 0.48 -0.37 5.19 1.57 -1.59 0.55 116.57 122.39 1djq h LYS 48 Ca -0.00 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1djq h LYS 48 Cb 0.04 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1djq h LYS 48 CO 0.00 1.11 0.13 0.00 -0.57 0.00 0.00 179.45 180.12 1djq h ALA 49 N 0.74 0.49 -0.54 3.86 0.00 -0.38 -1.63 119.26 121.80 1djq h ALA 49 Ca -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1djq h ALA 49 Cb 1.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1djq h ALA 49 CO 0.16 0.12 0.26 1.49 0.00 0.00 0.00 179.25 181.27 1djq h GLU 50 N 0.46 0.75 0.00 0.00 4.81 -0.65 -1.41 114.58 118.53 1djq h GLU 50 Ca 0.12 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1djq h GLU 50 Cb 0.23 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1djq h GLU 50 CO -0.01 0.58 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 1djq n GLY 51 N -1.20 -0.73 0.00 1.92 0.00 0.17 -4.88 105.19 100.47 1djq n GLY 51 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1djq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djq n GLY 52 N 0.43 0.36 3.71 -0.02 0.00 -0.53 -1.81 105.19 107.33 1djq n GLY 52 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1djq n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1djq s TRP 53 N -2.00 2.82 0.24 1.61 0.52 -0.70 -4.87 118.94 116.57 1djq s TRP 53 Ca 0.00 0.39 -0.06 0.00 0.02 0.00 0.00 56.10 56.45 1djq s TRP 53 Cb 0.00 -4.06 0.24 0.00 -1.15 0.00 0.00 33.47 28.49 1djq s TRP 53 CO 0.00 -4.06 1.84 0.00 0.02 0.00 0.00 176.95 174.76 1djq h ALA 54 N 7.16 1.16 -3.20 0.98 0.00 -0.99 -3.42 119.26 120.95 1djq h ALA 54 Ca -0.43 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 1djq h ALA 54 Cb 1.20 -0.33 -0.25 0.00 0.00 0.00 0.00 17.79 18.41 1djq h ALA 54 CO 0.94 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 180.33 1djq s ALA 55 N -5.72 -0.42 -0.09 0.00 0.00 -1.25 -1.58 121.76 112.70 1djq s ALA 55 Ca -0.12 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1djq s ALA 55 Cb 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1djq s ALA 55 CO 0.83 -0.11 -0.18 -0.51 0.00 0.00 0.00 175.76 175.79 1djq s LEU 56 N -0.18 1.86 0.16 0.00 2.01 -0.15 -1.52 118.68 120.86 1djq s LEU 56 Ca -0.03 -0.45 0.07 0.00 0.01 0.00 0.00 54.13 53.74 1djq s LEU 56 Cb -0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.99 1djq s LEU 56 CO 0.01 0.08 -0.04 0.20 1.01 0.00 0.00 176.35 177.60 1djq s ASN 57 N 0.65 4.61 1.00 2.29 0.01 -1.19 -1.12 114.94 121.19 1djq s ASN 57 Ca -0.13 -0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 51.45 1djq s ASN 57 Cb -0.16 -0.93 0.19 0.00 0.41 0.00 0.00 41.25 40.76 1djq s ASN 57 CO 0.04 0.11 1.15 0.35 -1.51 0.00 0.00 177.10 177.24 1djq n THR 58 N 0.09 0.00 -2.20 1.60 -2.24 -0.66 -4.54 114.28 106.32 1djq n THR 58 Ca -0.11 -0.85 -0.24 0.00 -2.27 0.00 0.00 64.05 60.58 1djq n THR 58 Cb 0.55 -1.57 0.15 0.00 -2.10 0.00 0.00 70.33 67.35 1djq n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1djq n GLU 59 N -3.43 -0.62 -1.61 -0.78 0.00 -1.25 -3.55 120.64 109.40 1djq n GLU 59 Ca 0.14 -2.17 -0.52 0.00 0.00 0.00 0.00 57.16 54.62 1djq n GLU 59 Cb 0.50 -0.93 -0.06 0.00 0.00 0.00 0.00 31.44 30.96 1djq n GLU 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1djq n TYR 60 N -3.20 1.64 -3.93 -1.84 -0.00 -1.26 -4.22 117.16 104.34 1djq n TYR 60 Ca 0.15 0.59 -0.35 0.00 -0.00 0.00 0.00 57.90 58.29 1djq n TYR 60 Cb 0.53 -2.37 -0.14 0.00 -0.00 0.00 0.00 39.34 37.37 1djq n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1djq n SER 62 N 4.62 3.70 0.02 0.00 2.88 0.18 -0.12 113.62 124.89 1djq n SER 62 Ca -0.14 1.02 0.13 0.00 -1.33 0.00 0.00 58.87 58.54 1djq n SER 62 Cb 0.44 -1.49 0.33 0.00 -0.75 0.00 0.00 64.21 62.74 1djq n SER 62 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1djq n ILE 63 N 4.38 0.12 -3.59 2.46 -5.35 -0.72 -1.64 119.36 115.02 1djq n ILE 63 Ca 0.18 -0.08 -0.12 0.00 -0.27 0.00 0.00 62.75 62.46 1djq n ILE 63 Cb 0.34 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.11 1djq n ILE 63 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1djq s ASN 64 N -3.38 -0.50 0.64 7.28 3.84 -1.26 -4.69 114.94 116.86 1djq s ASN 64 Ca 0.11 0.75 0.22 0.00 0.21 0.00 0.00 52.86 54.15 1djq s ASN 64 Cb 0.17 0.68 1.12 0.00 -0.55 0.00 0.00 41.25 42.67 1djq s ASN 64 CO 0.66 -0.32 1.62 -0.65 -2.79 0.00 0.00 177.10 175.62 1djq h PRO 65 N 3.48 0.00 -0.03 0.43 0.11 -1.97 0.15 132.00 134.18 1djq h PRO 65 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1djq h PRO 65 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1djq h PRO 65 CO 0.23 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.17 1djq n GLU 66 N -3.04 1.08 -3.27 1.05 0.28 -1.26 -3.57 120.64 111.91 1djq n GLU 66 Ca 0.04 -0.12 -0.25 0.00 -0.16 0.00 0.00 57.16 56.68 1djq n GLU 66 Cb 0.74 -1.16 -0.07 0.00 1.43 0.00 0.00 31.44 32.38 1djq n GLU 66 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1djq n SER 67 N -0.53 1.61 -4.39 -1.84 2.88 0.52 -4.29 113.62 107.58 1djq n SER 67 Ca 0.07 -3.00 -0.36 0.00 -1.33 0.00 0.00 58.87 54.25 1djq n SER 67 Cb 0.06 -0.65 -0.13 0.00 -0.75 0.00 0.00 64.21 62.74 1djq n SER 67 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1djq s ASP 68 N -1.75 4.87 0.00 -3.46 3.68 -1.23 -4.73 116.67 114.06 1djq s ASP 68 Ca 0.37 -0.31 0.30 0.00 2.13 0.00 0.00 52.55 55.04 1djq s ASP 68 Cb 0.17 -1.86 1.41 0.00 -1.45 0.00 0.00 42.92 41.19 1djq s ASP 68 CO -0.07 -0.04 1.95 -0.67 0.13 0.00 0.00 175.17 176.47 1djq n ASP 69 N 4.88 0.60 -4.59 -0.34 4.64 -1.26 -0.47 116.55 120.01 1djq n ASP 69 Ca -0.17 -0.98 -0.53 0.00 -1.38 0.00 0.00 54.79 51.73 1djq n ASP 69 Cb 0.51 -0.03 -0.06 0.00 -1.04 0.00 0.00 41.12 40.50 1djq n ASP 69 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1djq n THR 70 N -0.65 0.01 0.70 5.18 -1.04 -1.26 -0.11 114.28 117.11 1djq n THR 70 Ca 0.19 -0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 1djq n THR 70 Cb 0.24 -0.78 0.47 0.00 -1.82 0.00 0.00 70.33 68.44 1djq n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1djq n HIS 71 N 2.56 0.26 -2.34 -1.42 -0.00 -1.26 -2.50 115.22 110.52 1djq n HIS 71 Ca 0.19 0.09 -0.32 0.00 -0.00 0.00 0.00 57.72 57.68 1djq n HIS 71 Cb 0.18 -0.64 -0.03 0.00 -0.00 0.00 0.00 29.99 29.50 1djq n HIS 71 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1djq s ARG 72 N -3.06 3.88 -0.25 -1.40 0.52 0.85 -3.19 118.95 116.30 1djq s ARG 72 Ca 0.10 0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 56.10 1djq s ARG 72 Cb 0.14 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1djq s ARG 72 CO 0.43 -0.31 0.12 -1.17 0.02 0.00 0.00 175.30 174.40 1djq s LEU 73 N -4.25 3.74 0.41 2.53 2.96 -1.26 -4.49 118.68 118.32 1djq s LEU 73 Ca 0.58 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 1djq s LEU 73 Cb -0.10 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.50 1djq s LEU 73 CO 0.35 -0.01 0.02 -0.94 -1.32 0.00 0.00 176.35 174.45 1djq s SER 74 N 1.47 3.92 0.75 3.68 1.04 -1.26 -4.74 113.70 118.57 1djq s SER 74 Ca 0.06 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.04 1djq s SER 74 Cb -0.15 -0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.61 1djq s SER 74 CO 0.06 -0.44 1.12 0.00 0.98 0.00 0.00 173.24 174.96 1djq s ALA 75 N -2.69 2.72 -0.05 5.32 0.00 -0.60 -4.18 121.76 122.27 1djq s ALA 75 Ca 0.35 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1djq s ALA 75 Cb 0.09 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1djq s ALA 75 CO 0.18 -1.40 0.14 1.03 0.00 0.00 0.00 175.76 175.71 1djq s ARG 76 N -5.41 0.14 -0.44 0.00 0.52 -1.26 -0.65 118.95 111.86 1djq s ARG 76 Ca 0.60 0.22 0.09 0.00 -0.52 0.00 0.00 55.73 56.13 1djq s ARG 76 Cb -0.11 0.02 0.39 0.00 0.52 0.00 0.00 34.95 35.77 1djq s ARG 76 CO 0.51 -0.05 0.94 1.51 0.02 0.00 0.00 175.30 178.24 1djq n ILE 77 N 3.25 1.69 0.13 1.52 0.13 -0.65 -4.79 119.36 120.64 1djq n ILE 77 Ca -0.15 -4.62 -0.24 0.00 -1.10 0.00 0.00 62.75 56.64 1djq n ILE 77 Cb 0.58 -0.64 -0.16 0.00 -0.84 0.00 0.00 39.64 38.58 1djq n ILE 77 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 1djq h TRP 78 N 2.88 0.92 -1.83 9.51 6.55 -1.84 -3.45 115.95 128.69 1djq h TRP 78 Ca 0.12 -0.66 0.00 0.00 0.95 0.00 0.00 58.89 59.30 1djq h TRP 78 Cb 0.87 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.13 1djq h TRP 78 CO 0.67 1.51 0.00 -0.40 -1.05 0.00 0.00 178.44 179.18 1djq n ASP 79 N -3.80 0.00 0.11 -3.49 5.68 -1.26 -5.03 116.55 108.76 1djq n ASP 79 Ca -0.16 -0.83 0.01 0.00 -0.50 0.00 0.00 54.79 53.32 1djq n ASP 79 Cb 1.05 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 41.38 1djq n ASP 79 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1djq h GLU 80 N 0.00 0.24 -0.87 0.11 3.07 -1.96 -2.15 114.58 113.03 1djq h GLU 80 Ca 0.00 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1djq h GLU 80 Cb 0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 1djq h GLU 80 CO 0.00 0.43 0.50 0.78 -1.40 0.00 0.00 179.01 179.32 1djq h GLY 81 N 0.84 1.28 1.00 -3.84 0.00 -1.97 -1.31 103.07 99.08 1djq h GLY 81 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1djq h GLY 81 CO 0.03 0.53 -0.26 -0.55 0.00 0.00 0.00 176.54 176.29 1djq h ASP 82 N 1.21 0.81 -0.70 0.19 3.32 -1.71 -2.19 116.42 117.35 1djq h ASP 82 Ca 0.31 -0.45 0.07 0.00 0.02 0.00 0.00 57.03 56.99 1djq h ASP 82 Cb -0.01 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 1djq h ASP 82 CO -0.05 1.08 0.38 0.58 -1.72 0.00 0.00 179.24 179.51 1djq h VAL 83 N 0.54 0.92 0.60 -1.35 2.07 -0.97 -0.15 116.25 117.91 1djq h VAL 83 Ca 0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1djq h VAL 83 Cb 0.83 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1djq h VAL 83 CO 0.07 0.12 -0.29 -0.09 0.02 0.00 0.00 177.57 177.40 1djq h ARG 84 N 0.67 -0.78 -0.77 1.57 2.43 -1.10 -1.69 114.38 114.71 1djq h ARG 84 Ca 0.33 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.60 1djq h ARG 84 Cb 0.26 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1djq h ARG 84 CO -0.22 -0.50 0.47 -0.91 -1.51 0.00 0.00 179.97 177.30 1djq h ASN 85 N -0.86 0.74 0.79 -3.80 4.21 -1.13 -2.51 115.58 113.02 1djq h ASN 85 Ca -0.08 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.36 1djq h ASN 85 Cb 0.64 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1djq h ASN 85 CO 0.14 0.49 -0.40 -0.07 -1.29 0.00 0.00 177.43 176.30 1djq h LEU 86 N 0.88 0.00 -1.49 1.61 3.38 -1.01 -3.06 115.31 115.62 1djq h LEU 86 Ca 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1djq h LEU 86 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1djq h LEU 86 CO -0.15 0.40 -0.19 0.50 0.09 0.00 0.00 178.44 179.09 1djq h LYS 87 N 0.00 0.10 -0.69 1.13 3.64 -0.84 -1.25 116.57 118.65 1djq h LYS 87 Ca -0.00 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1djq h LYS 87 Cb 0.90 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1djq h LYS 87 CO 0.05 0.29 0.46 0.00 -2.27 0.00 0.00 179.45 177.98 1djq h ALA 88 N 1.72 1.95 0.09 5.00 0.00 -1.51 0.15 119.26 126.67 1djq h ALA 88 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1djq h ALA 88 Cb 0.39 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1djq h ALA 88 CO 0.03 -0.10 -0.87 1.98 0.00 0.00 0.00 179.25 180.29 1djq h MET 89 N 0.52 0.42 -0.33 0.00 1.85 -1.39 -2.87 114.93 113.12 1djq h MET 89 Ca 0.32 -0.58 -0.13 0.00 -0.61 0.00 0.00 59.70 58.71 1djq h MET 89 Cb 0.56 0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 1djq h MET 89 CO -0.11 1.24 -0.32 1.79 -0.40 0.00 0.00 176.91 179.11 1djq h THR 90 N -0.12 1.28 -0.15 -0.77 1.35 -0.98 -1.21 112.91 112.32 1djq h THR 90 Ca -0.13 -1.46 -0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1djq h THR 90 Cb 1.61 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1djq h THR 90 CO 0.17 0.48 0.07 0.44 -0.25 0.00 0.00 175.52 176.43 1djq h ASP 91 N 0.61 0.19 0.05 5.36 3.32 -0.83 -0.91 116.42 124.21 1djq h ASP 91 Ca 0.07 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1djq h ASP 91 Cb 0.84 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1djq h ASP 91 CO 0.07 0.24 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.51 1djq h GLU 92 N 0.12 0.32 -0.10 3.56 4.57 -1.37 -1.66 114.58 120.02 1djq h GLU 92 Ca 0.05 -0.11 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 1djq h GLU 92 Cb 0.10 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1djq h GLU 92 CO -0.01 0.55 -0.78 0.28 -1.18 0.00 0.00 179.01 177.87 1djq h VAL 93 N 0.29 1.33 -0.24 0.32 2.07 -1.13 -3.12 116.25 115.78 1djq h VAL 93 Ca 0.05 -2.10 -0.08 0.00 0.82 0.00 0.00 66.70 65.39 1djq h VAL 93 Cb 0.59 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1djq h VAL 93 CO 0.04 0.65 -0.21 0.45 0.02 0.00 0.00 177.57 178.51 1djq h HIS 94 N 0.40 0.47 -0.98 1.57 3.86 -0.85 -2.60 115.15 117.01 1djq h HIS 94 Ca -0.05 -0.09 0.24 0.00 -1.16 0.00 0.00 60.37 59.32 1djq h HIS 94 Cb 1.39 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 29.67 1djq h HIS 94 CO 0.07 0.62 0.65 -0.22 0.86 0.00 0.00 177.93 179.90 1djq h LYS 95 N 0.38 0.33 -0.65 2.45 3.64 -1.24 0.11 116.57 121.59 1djq h LYS 95 Ca 0.06 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 1djq h LYS 95 Cb 0.59 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.20 1djq h LYS 95 CO 0.04 0.22 0.24 0.66 -2.27 0.00 0.00 179.45 178.34 1djq n TYR 96 N -4.51 2.13 -1.24 1.91 4.01 -1.00 -4.95 117.16 113.50 1djq n TYR 96 Ca 0.22 -1.35 -0.08 0.00 -0.16 0.00 0.00 57.90 56.53 1djq n TYR 96 Cb 0.83 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1djq n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1djq n GLY 97 N -0.55 0.99 3.93 2.72 0.00 0.38 -4.70 105.19 107.96 1djq n GLY 97 Ca 0.40 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1djq n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq s ALA 98 N -2.18 4.14 0.24 4.61 0.00 -1.10 -4.92 121.76 122.55 1djq s ALA 98 Ca 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 1djq s ALA 98 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1djq s ALA 98 CO 0.00 -0.11 0.47 -0.51 0.00 0.00 0.00 175.76 175.61 1djq s LEU 99 N -4.15 4.15 -0.04 0.00 1.43 -0.61 -4.13 118.68 115.33 1djq s LEU 99 Ca 0.46 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 1djq s LEU 99 Cb -0.07 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1djq s LEU 99 CO 0.29 -0.11 -0.24 0.00 0.23 0.00 0.00 176.35 176.52 1djq s ALA 100 N -1.95 2.21 0.13 4.21 0.00 -1.26 -0.97 121.76 124.13 1djq s ALA 100 Ca 0.42 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1djq s ALA 100 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1djq s ALA 100 CO 0.29 0.49 -0.10 0.20 0.00 0.00 0.00 175.76 176.63 1djq s GLY 101 N -0.45 1.01 -0.00 0.00 0.00 -0.27 0.13 107.32 107.73 1djq s GLY 101 Ca 0.05 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1djq s GLY 101 CO 0.01 -1.49 -0.12 0.54 0.00 0.00 0.00 173.10 172.04 1djq s VAL 102 N -3.02 0.95 -0.63 1.40 0.11 -0.48 -1.65 120.40 117.09 1djq s VAL 102 Ca 0.13 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.50 1djq s VAL 102 Cb 0.01 -0.80 0.16 0.00 -1.53 0.00 0.00 36.38 34.21 1djq s VAL 102 CO 0.01 0.23 0.53 -0.70 -3.33 0.00 0.00 175.10 171.84 1djq s GLU 103 N -0.39 2.98 -0.02 1.54 2.12 -1.26 -1.29 118.70 122.37 1djq s GLU 103 Ca 0.04 -2.09 -0.30 0.00 0.36 0.00 0.00 54.97 52.98 1djq s GLU 103 Cb -0.05 -4.15 -0.08 0.00 0.26 0.00 0.00 34.13 30.11 1djq s GLU 103 CO -0.00 -1.26 1.96 -0.51 -0.54 0.00 0.00 175.26 174.91 1djq s LEU 104 N 0.82 4.25 -0.03 2.70 1.43 -0.91 0.18 118.68 127.12 1djq s LEU 104 Ca 0.11 2.47 0.06 0.00 -1.03 0.00 0.00 54.13 55.74 1djq s LEU 104 Cb -0.21 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 1djq s LEU 104 CO -0.03 -1.19 -0.22 0.86 0.23 0.00 0.00 176.35 176.01 1djq s TRP 105 N 5.03 2.03 -0.07 0.29 -0.00 0.83 -2.78 118.94 124.27 1djq s TRP 105 Ca 0.88 -0.50 -0.02 0.00 -0.00 0.00 0.00 56.10 56.46 1djq s TRP 105 Cb -0.40 -1.33 0.03 0.00 -0.00 0.00 0.00 33.47 31.78 1djq s TRP 105 CO 0.39 -0.12 0.04 -0.47 -0.00 0.00 0.00 176.95 176.79 1djq s TYR 106 N -0.27 0.30 -1.51 5.86 6.14 -1.26 -1.75 117.35 124.85 1djq s TYR 106 Ca 0.02 0.01 0.24 0.00 0.64 0.00 0.00 57.07 57.99 1djq s TYR 106 Cb -0.11 -0.63 0.40 0.00 0.42 0.00 0.00 41.96 42.04 1djq s TYR 106 CO 0.01 -0.29 1.34 0.41 0.64 0.00 0.00 175.55 177.66 1djq n GLY 107 N 5.24 -0.70 7.00 8.97 0.00 -1.26 -2.05 105.19 122.39 1djq n GLY 107 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1djq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djq n GLY 108 N 1.42 0.76 0.00 -0.02 0.00 -1.26 -2.63 105.19 103.46 1djq n GLY 108 Ca 0.09 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1djq n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq n ALA 109 N 5.82 1.78 0.29 4.61 0.00 -1.26 -2.72 120.51 129.02 1djq n ALA 109 Ca 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1djq n ALA 109 Cb 0.00 -1.27 0.81 0.00 0.00 0.00 0.00 19.45 18.99 1djq n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djq h HIS 110 N 0.00 0.00 -3.53 0.00 3.86 -1.84 -3.40 115.15 110.24 1djq h HIS 110 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 1djq h HIS 110 Cb 0.29 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.63 1djq h HIS 110 CO 0.00 0.04 0.15 0.00 0.86 0.00 0.00 177.93 178.98 1djq s ALA 111 N -3.87 3.52 -0.65 2.45 0.00 -1.10 -4.70 121.76 117.42 1djq s ALA 111 Ca -0.01 -0.66 0.24 0.00 0.00 0.00 0.00 51.96 51.53 1djq s ALA 111 Cb 0.11 -3.11 0.91 0.00 0.00 0.00 0.00 23.12 21.03 1djq s ALA 111 CO 0.52 -1.10 1.73 -0.35 0.00 0.00 0.00 175.76 176.57 1djq n PRO 112 N 5.90 0.19 -3.96 0.00 -0.04 -1.24 -4.83 135.00 131.03 1djq n PRO 112 Ca -0.01 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 1djq n PRO 112 Cb 0.49 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1djq n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djq n ASN 113 N -2.15 -2.89 0.26 3.54 3.02 0.38 -4.86 115.26 112.57 1djq n ASN 113 Ca 0.04 -0.89 0.17 0.00 -0.03 0.00 0.00 54.58 53.87 1djq n ASN 113 Cb 0.31 -3.49 0.63 0.00 -0.61 0.00 0.00 39.78 36.62 1djq n ASN 113 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1djq h MET 114 N -1.87 0.00 0.00 3.52 2.86 -1.68 -0.84 114.93 116.92 1djq h MET 114 Ca -0.60 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 56.89 1djq h MET 114 Cb 1.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1djq h MET 114 CO 0.67 0.00 -1.04 -1.91 1.06 0.00 0.00 176.91 175.69 1djq n GLU 115 N -3.03 0.52 -0.03 1.72 2.13 -1.26 -4.55 120.64 116.14 1djq n GLU 115 Ca 0.01 0.54 -0.08 0.00 0.66 0.00 0.00 57.16 58.30 1djq n GLU 115 Cb 0.32 -1.71 0.10 0.00 0.27 0.00 0.00 31.44 30.41 1djq n GLU 115 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1djq h SER 116 N -1.00 0.67 -0.09 4.31 4.64 -1.84 -3.47 113.55 116.78 1djq h SER 116 Ca -0.23 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1djq h SER 116 Cb 1.03 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1djq h SER 116 CO -0.14 0.96 -0.03 0.54 -0.87 0.00 0.00 176.83 177.28 1djq n ARG 117 N -4.06 -0.82 -1.65 4.77 1.74 -0.32 -5.01 116.66 111.32 1djq n ARG 117 Ca -0.01 0.33 -0.30 0.00 -0.77 0.00 0.00 57.85 57.10 1djq n ARG 117 Cb 0.49 -4.03 0.08 0.00 -1.02 0.00 0.00 32.46 27.98 1djq n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djq s ALA 118 N -1.72 2.42 -0.25 7.54 0.00 -1.26 -5.04 121.76 123.45 1djq s ALA 118 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 1djq s ALA 118 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1djq s ALA 118 CO 0.00 -1.58 0.33 0.99 0.00 0.00 0.00 175.76 175.50 1djq s THR 119 N -3.22 5.23 0.53 0.00 2.01 -1.26 -4.87 115.64 114.06 1djq s THR 119 Ca 0.60 0.50 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 1djq s THR 119 Cb -0.13 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 1djq s THR 119 CO 0.53 0.22 1.01 -2.16 -0.69 0.00 0.00 174.62 173.53 1djq s PRO 120 N 1.67 3.77 0.10 4.92 0.04 -1.26 -4.92 135.00 139.32 1djq s PRO 120 Ca 0.14 1.05 0.09 0.00 0.04 0.00 0.00 61.00 62.32 1djq s PRO 120 Cb -0.15 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1djq s PRO 120 CO 0.09 -0.43 -0.18 1.03 0.04 0.00 0.00 177.00 177.54 1djq s ARG 121 N -4.00 1.84 0.27 4.56 0.52 -1.26 -1.40 118.95 119.47 1djq s ARG 121 Ca 0.61 -1.14 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1djq s ARG 121 Cb -0.12 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 1djq s ARG 121 CO 0.32 0.49 0.37 0.20 0.02 0.00 0.00 175.30 176.70 1djq s GLY 122 N -1.96 1.18 0.33 -3.53 0.00 -0.41 -4.40 107.32 98.54 1djq s GLY 122 Ca 0.17 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1djq s GLY 122 CO 0.09 -1.01 2.00 -0.56 0.00 0.00 0.00 173.10 173.62 1djq h PRO 123 N 2.31 0.91 -4.14 2.90 0.13 -1.90 -0.75 132.00 131.45 1djq h PRO 123 Ca -0.29 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1djq h PRO 123 Cb 1.25 -0.21 -0.14 0.00 0.13 0.00 0.00 31.00 32.03 1djq h PRO 123 CO 0.41 0.60 -0.56 -1.12 -0.23 0.00 0.00 178.00 177.10 1djq s SER 124 N -6.42 0.32 -0.09 1.44 0.01 -1.26 -4.30 113.70 103.39 1djq s SER 124 Ca -0.10 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 55.92 1djq s SER 124 Cb 0.18 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1djq s SER 124 CO 0.77 -0.69 0.95 -1.58 0.41 0.00 0.00 173.24 173.11 1djq s GLN 125 N -3.94 4.43 0.12 12.44 0.74 -1.26 -4.61 119.66 127.58 1djq s GLN 125 Ca 0.11 1.30 -0.13 0.00 0.05 0.00 0.00 55.36 56.69 1djq s GLN 125 Cb 0.07 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.67 1djq s GLN 125 CO -0.07 -0.24 0.32 1.52 -0.55 0.00 0.00 175.29 176.28 1djq s TYR 126 N 1.75 -0.04 -0.22 1.67 1.13 -1.26 -4.99 117.35 115.39 1djq s TYR 126 Ca 0.47 -0.32 -0.10 0.00 -1.41 0.00 0.00 57.07 55.71 1djq s TYR 126 Cb -0.18 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.76 1djq s TYR 126 CO 0.19 -0.65 0.13 0.00 -2.51 0.00 0.00 175.55 172.70 1djq s ALA 127 N -3.84 3.57 0.26 9.51 0.00 -1.26 -2.88 121.76 127.12 1djq s ALA 127 Ca 0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1djq s ALA 127 Cb 0.03 -2.18 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 1djq s ALA 127 CO -0.11 -0.03 1.33 0.45 0.00 0.00 0.00 175.76 177.40 1djq n SER 128 N 3.95 2.53 0.05 0.00 2.88 -0.65 -4.88 113.62 117.50 1djq n SER 128 Ca -0.16 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.67 1djq n SER 128 Cb 0.52 -1.41 0.50 0.00 -0.75 0.00 0.00 64.21 63.06 1djq n SER 128 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1djq n GLU 129 N 1.57 0.10 -0.09 -1.46 0.00 -1.26 -2.77 120.64 116.73 1djq n GLU 129 Ca 0.10 0.14 -0.12 0.00 0.00 0.00 0.00 57.16 57.29 1djq n GLU 129 Cb 0.32 -1.64 -0.04 0.00 0.00 0.00 0.00 31.44 30.08 1djq n GLU 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1djq n PHE 130 N -1.82 0.42 -3.42 -1.84 -0.00 -1.26 -4.64 117.46 104.89 1djq n PHE 130 Ca 0.06 0.18 -0.43 0.00 -0.00 0.00 0.00 57.45 57.26 1djq n PHE 130 Cb 0.34 -0.72 -0.02 0.00 -0.00 0.00 0.00 39.48 39.07 1djq n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1djq s GLU 131 N -2.58 3.79 0.33 -4.13 0.41 -1.24 -4.94 118.70 110.34 1djq s GLU 131 Ca -0.26 -3.04 0.16 0.00 -0.41 0.00 0.00 54.97 51.42 1djq s GLU 131 Cb 0.05 -4.35 0.88 0.00 -1.78 0.00 0.00 34.13 28.93 1djq s GLU 131 CO 0.38 -1.25 1.43 0.25 -0.49 0.00 0.00 175.26 175.58 1djq n THR 132 N 2.92 0.74 0.22 3.63 -2.24 -1.12 -0.93 114.28 117.50 1djq n THR 132 Ca 0.20 0.75 0.09 0.00 -2.27 0.00 0.00 64.05 62.82 1djq n THR 132 Cb 0.40 -1.75 0.17 0.00 -2.10 0.00 0.00 70.33 67.06 1djq n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1djq n LEU 133 N -2.13 3.09 -4.55 3.22 4.77 -1.26 -4.76 117.00 115.38 1djq n LEU 133 Ca -0.01 -1.52 -0.37 0.00 -0.03 0.00 0.00 56.01 54.08 1djq n LEU 133 Cb 0.23 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1djq n LEU 133 CO 0.07 0.68 -0.22 -0.55 -1.33 0.00 0.00 177.39 176.04 1djq s SER 134 N -1.27 5.68 0.20 -1.43 0.15 -0.11 -5.04 113.70 111.88 1djq s SER 134 Ca 0.31 -0.06 0.11 0.00 0.70 0.00 0.00 55.95 57.01 1djq s SER 134 Cb 0.18 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1djq s SER 134 CO 0.25 -0.01 -0.19 -0.31 1.20 0.00 0.00 173.24 174.18 1djq s TYR 135 N 1.52 2.42 0.38 3.44 2.02 -1.26 -1.64 117.35 124.22 1djq s TYR 135 Ca 0.06 -0.31 0.08 0.00 -0.37 0.00 0.00 57.07 56.54 1djq s TYR 135 Cb -0.15 -1.18 -0.06 0.00 -0.40 0.00 0.00 41.96 40.17 1djq s TYR 135 CO 0.07 0.52 0.02 0.00 -1.57 0.00 0.00 175.55 174.59 1djq s LYS 137 N -3.73 3.94 0.16 0.00 2.20 -0.49 -4.40 119.74 117.42 1djq s LYS 137 Ca 0.36 0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.89 1djq s LYS 137 Cb 0.05 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1djq s LYS 137 CO 0.19 0.56 1.41 -2.00 -0.36 0.00 0.00 175.35 175.15 1djq s GLU 138 N -0.57 4.31 0.16 4.03 2.12 -1.26 -1.28 118.70 126.20 1djq s GLU 138 Ca 0.20 2.15 -0.30 0.00 0.36 0.00 0.00 54.97 57.38 1djq s GLU 138 Cb -0.15 -3.20 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 1djq s GLU 138 CO 0.09 -0.43 1.01 -1.64 -0.54 0.00 0.00 175.26 173.76 1djq s MET 139 N 0.68 4.68 0.63 4.30 -1.94 -0.29 -4.88 119.30 122.48 1djq s MET 139 Ca 0.63 1.56 0.07 0.00 -1.71 0.00 0.00 55.69 56.25 1djq s MET 139 Cb -0.39 -3.32 0.11 0.00 2.01 0.00 0.00 34.83 33.24 1djq s MET 139 CO 0.34 0.20 0.86 0.16 -0.01 0.00 0.00 175.02 176.57 1djq s ASP 140 N -0.20 4.84 0.40 3.03 1.47 -1.26 -4.89 116.67 120.06 1djq s ASP 140 Ca 0.47 -0.77 0.12 0.00 1.18 0.00 0.00 52.55 53.55 1djq s ASP 140 Cb -0.26 0.31 0.93 0.00 -0.34 0.00 0.00 42.92 43.56 1djq s ASP 140 CO 0.32 -1.54 1.94 -0.07 0.68 0.00 0.00 175.17 176.51 1djq h LEU 141 N -0.05 0.49 -0.33 2.11 3.38 -2.00 -1.15 115.31 117.76 1djq h LEU 141 Ca -0.31 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 1djq h LEU 141 Cb 1.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1djq h LEU 141 CO 0.40 0.28 -0.84 0.77 0.09 0.00 0.00 178.44 179.14 1djq h SER 142 N 0.54 0.22 -0.67 -0.43 4.64 -1.99 -2.43 113.55 113.43 1djq h SER 142 Ca 0.33 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1djq h SER 142 Cb 0.57 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1djq h SER 142 CO -0.11 0.96 0.44 0.44 -0.87 0.00 0.00 176.83 177.69 1djq h ASP 143 N 0.10 0.77 -0.45 4.97 3.32 -1.60 -0.26 116.42 123.26 1djq h ASP 143 Ca -0.04 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1djq h ASP 143 Cb 1.46 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1djq h ASP 143 CO 0.13 0.56 0.25 0.40 -1.72 0.00 0.00 179.24 178.86 1djq h ILE 144 N 0.90 1.16 -0.68 0.35 2.04 -1.25 -0.65 117.51 119.40 1djq h ILE 144 Ca 0.24 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1djq h ILE 144 Cb -0.10 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1djq h ILE 144 CO -0.05 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.42 1djq h ALA 145 N 1.10 1.00 -0.19 1.87 0.00 -0.97 -1.59 119.26 120.49 1djq h ALA 145 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1djq h ALA 145 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1djq h ALA 145 CO -0.03 0.65 0.03 0.37 0.00 0.00 0.00 179.25 180.27 1djq h GLN 146 N 1.02 0.32 -0.55 0.00 4.15 -0.65 -1.28 115.11 118.11 1djq h GLN 146 Ca 0.21 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1djq h GLN 146 Cb 0.37 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1djq h GLN 146 CO 0.00 0.47 0.03 0.28 -1.93 0.00 0.00 178.83 177.68 1djq h VAL 147 N 0.11 1.25 -0.55 2.39 2.07 -1.05 -1.24 116.25 119.24 1djq h VAL 147 Ca 0.06 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1djq h VAL 147 Cb 0.31 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1djq h VAL 147 CO 0.00 0.37 0.25 1.56 0.02 0.00 0.00 177.57 179.77 1djq h GLN 148 N 0.85 0.78 -0.36 1.57 4.20 -1.11 -0.98 115.11 120.06 1djq h GLN 148 Ca 0.16 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1djq h GLN 148 Cb 0.46 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1djq h GLN 148 CO 0.02 0.62 -0.19 0.37 -0.67 0.00 0.00 178.83 178.98 1djq h GLN 149 N 0.78 0.68 -0.80 1.46 5.75 -0.50 -2.17 115.11 120.31 1djq h GLN 149 Ca 0.19 -0.25 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1djq h GLN 149 Cb 0.11 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1djq h GLN 149 CO -0.02 0.83 0.47 0.74 -2.65 0.00 0.00 178.83 178.20 1djq h PHE 150 N 0.61 0.86 -0.57 3.99 0.05 -0.03 0.61 116.94 122.45 1djq h PHE 150 Ca 0.09 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.88 1djq h PHE 150 Cb 0.66 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 38.32 1djq h PHE 150 CO 0.03 0.40 0.24 1.88 -0.18 0.00 0.00 178.31 180.68 1djq h TYR 151 N 0.83 0.85 -0.21 -0.55 0.05 -0.99 -0.29 116.97 116.66 1djq h TYR 151 Ca 0.36 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 59.07 1djq h TYR 151 Cb 0.25 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1djq h TYR 151 CO -0.05 0.68 0.07 0.28 -1.05 0.00 0.00 178.16 178.08 1djq h VAL 152 N 0.77 1.18 -0.70 -2.88 2.07 -0.88 0.19 116.25 116.01 1djq h VAL 152 Ca 0.19 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1djq h VAL 152 Cb 0.18 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1djq h VAL 152 CO -0.02 0.18 0.37 0.44 0.02 0.00 0.00 177.57 178.56 1djq h ASP 153 N 0.17 0.89 -0.56 0.57 3.32 -0.76 -1.37 116.42 118.68 1djq h ASP 153 Ca 0.07 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1djq h ASP 153 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1djq h ASP 153 CO -0.00 0.74 0.20 0.00 -1.72 0.00 0.00 179.24 178.46 1djq h ALA 154 N 1.18 0.73 -0.89 3.45 0.00 -0.84 -1.73 119.26 121.15 1djq h ALA 154 Ca 0.24 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1djq h ALA 154 Cb 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1djq h ALA 154 CO -0.04 0.37 0.59 0.00 0.00 0.00 0.00 179.25 180.17 1djq h ALA 155 N 1.06 1.14 -0.12 0.00 0.00 -0.45 -0.21 119.26 120.67 1djq h ALA 155 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1djq h ALA 155 Cb 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1djq h ALA 155 CO -0.01 0.52 0.07 0.87 0.00 0.00 0.00 179.25 180.70 1djq h LYS 156 N 1.20 0.17 -0.28 0.00 1.79 -0.92 -1.66 116.57 116.86 1djq h LYS 156 Ca 0.33 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1djq h LYS 156 Cb -0.12 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 1djq h LYS 156 CO -0.08 0.18 0.06 0.00 -1.08 0.00 0.00 179.45 178.54 1djq h ARG 157 N 0.11 0.40 -0.67 3.15 3.08 -0.83 -1.86 114.38 117.76 1djq h ARG 157 Ca 0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1djq h ARG 157 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1djq h ARG 157 CO -0.01 0.38 0.33 0.77 -1.07 0.00 0.00 179.97 180.37 1djq h SER 158 N 0.40 0.88 -0.53 7.04 0.02 -0.33 -0.10 113.55 120.94 1djq h SER 158 Ca 0.10 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1djq h SER 158 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1djq h SER 158 CO -0.00 0.76 0.06 -0.09 -1.14 0.00 0.00 176.83 176.41 1djq h ARG 159 N 0.93 0.94 -0.17 3.45 2.43 -0.56 -1.93 114.38 119.47 1djq h ARG 159 Ca 0.23 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1djq h ARG 159 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1djq h ARG 159 CO -0.03 0.89 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.75 1djq h ASP 160 N 0.88 0.26 0.91 -3.80 3.32 -0.68 -1.42 116.42 115.88 1djq h ASP 160 Ca 0.17 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1djq h ASP 160 Cb 0.44 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1djq h ASP 160 CO 0.02 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1djq n ALA 161 N -2.49 2.19 -0.16 3.45 0.00 -0.11 -4.92 120.51 118.48 1djq n ALA 161 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1djq n ALA 161 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1djq n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 162 N 1.18 0.91 3.77 0.00 0.00 -0.54 -4.28 105.19 106.24 1djq n GLY 162 Ca 0.06 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1djq n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djq s PHE 163 N -2.00 3.53 -0.12 1.61 0.08 -0.88 -4.79 117.98 115.41 1djq s PHE 163 Ca 0.00 1.72 0.19 0.00 0.12 0.00 0.00 56.93 58.97 1djq s PHE 163 Cb 0.00 -3.10 -0.26 0.00 -0.57 0.00 0.00 43.02 39.09 1djq s PHE 163 CO 0.00 -0.28 0.38 -0.25 -0.10 0.00 0.00 175.22 174.97 1djq n ASP 164 N 0.56 0.18 -4.08 1.36 8.00 0.12 -4.67 116.55 118.01 1djq n ASP 164 Ca 0.02 0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 1djq n ASP 164 Cb 0.48 1.21 -0.17 0.00 -0.02 0.00 0.00 41.12 42.63 1djq n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1djq s ILE 165 N -2.98 1.39 -0.15 0.53 1.01 -0.71 -1.00 121.20 119.30 1djq s ILE 165 Ca -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1djq s ILE 165 Cb 0.10 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1djq s ILE 165 CO 0.86 0.41 -0.19 -0.69 0.00 0.00 0.00 174.94 175.33 1djq s VAL 166 N 0.54 1.88 -0.00 2.92 1.01 -0.44 -1.38 120.40 124.93 1djq s VAL 166 Ca -0.15 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1djq s VAL 166 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1djq s VAL 166 CO 0.05 0.51 0.23 -0.31 0.00 0.00 0.00 175.10 175.58 1djq s TYR 167 N 1.11 3.56 -0.45 5.22 2.02 -0.41 -1.27 117.35 127.12 1djq s TYR 167 Ca -0.01 0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 57.09 1djq s TYR 167 Cb -0.14 -1.92 0.11 0.00 -0.40 0.00 0.00 41.96 39.61 1djq s TYR 167 CO -0.07 0.63 0.30 0.08 -1.57 0.00 0.00 175.55 174.92 1djq s VAL 168 N -1.31 3.97 -0.42 0.71 1.01 -0.71 -2.13 120.40 121.52 1djq s VAL 168 Ca 0.27 -1.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 1djq s VAL 168 Cb -0.13 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1djq s VAL 168 CO 0.17 -0.72 1.67 -0.47 0.00 0.00 0.00 175.10 175.75 1djq s TYR 169 N 1.31 1.99 -0.30 5.22 6.04 -1.12 -2.79 117.35 127.71 1djq s TYR 169 Ca 0.06 0.65 0.12 0.00 0.04 0.00 0.00 57.07 57.93 1djq s TYR 169 Cb -0.25 -4.20 0.47 0.00 -1.04 0.00 0.00 41.96 36.94 1djq s TYR 169 CO -0.01 -2.49 1.15 0.41 -1.54 0.00 0.00 175.55 173.06 1djq n GLY 170 N 5.36 4.85 3.55 8.97 0.00 0.61 -4.50 105.19 124.03 1djq n GLY 170 Ca 0.20 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1djq n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq s ALA 171 N -3.62 2.90 -1.52 4.61 0.00 -1.18 -2.74 121.76 120.21 1djq s ALA 171 Ca 0.43 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1djq s ALA 171 Cb 0.39 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1djq s ALA 171 CO -0.01 -0.21 0.58 0.72 0.00 0.00 0.00 175.76 176.85 1djq n HIS 172 N -0.87 -1.94 -3.50 0.00 8.25 -1.26 -2.81 115.22 113.08 1djq n HIS 172 Ca -0.05 0.51 -0.26 0.00 -0.26 0.00 0.00 57.72 57.66 1djq n HIS 172 Cb 0.67 -4.26 0.02 0.00 1.12 0.00 0.00 29.99 27.54 1djq n HIS 172 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1djq n SER 173 N -2.49 -4.91 -4.72 0.41 7.64 -1.26 -4.03 113.62 104.26 1djq n SER 173 Ca -0.10 -0.52 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 1djq n SER 173 Cb 0.61 -3.96 0.10 0.00 -1.01 0.00 0.00 64.21 59.94 1djq n SER 173 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1djq s TYR 174 N -3.15 2.03 0.04 1.43 2.02 -1.12 -4.64 117.35 113.95 1djq s TYR 174 Ca 0.49 -0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 57.05 1djq s TYR 174 Cb -0.24 -3.08 -0.02 0.00 -0.40 0.00 0.00 41.96 38.22 1djq s TYR 174 CO 0.61 -1.59 0.64 -0.11 -1.57 0.00 0.00 175.55 173.52 1djq n LEU 175 N -2.84 -0.28 -0.29 -1.29 7.94 -0.87 -0.69 117.00 118.69 1djq n LEU 175 Ca 0.13 0.70 0.15 0.00 -1.11 0.00 0.00 56.01 55.87 1djq n LEU 175 Cb 0.60 -0.18 0.40 0.00 0.53 0.00 0.00 43.42 44.78 1djq n LEU 175 CO 0.45 -0.49 1.22 -0.65 -1.11 0.00 0.00 177.39 176.80 1djq h PRO 176 N 0.00 0.60 -0.01 1.96 0.11 -1.85 0.16 132.00 132.97 1djq h PRO 176 Ca 0.04 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 1djq h PRO 176 Cb 0.11 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1djq h PRO 176 CO -0.24 0.40 -0.75 1.25 -0.21 0.00 0.00 178.00 178.44 1djq h LEU 177 N 0.62 0.16 -1.01 2.35 7.12 -1.14 -2.78 115.31 120.63 1djq h LEU 177 Ca 0.50 -0.11 -0.05 0.00 0.13 0.00 0.00 57.88 58.35 1djq h LEU 177 Cb 0.94 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 1djq h LEU 177 CO -0.25 0.85 0.18 1.56 -0.13 0.00 0.00 178.44 180.65 1djq h GLN 178 N 0.08 0.90 -0.23 1.25 4.20 0.16 0.13 115.11 121.59 1djq h GLN 178 Ca -0.02 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 1djq h GLN 178 Cb 1.33 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1djq h GLN 178 CO 0.11 0.78 -0.38 0.74 -0.67 0.00 0.00 178.83 179.40 1djq h PHE 179 N 0.87 0.63 -0.00 2.96 -1.00 -1.29 -3.15 116.94 115.96 1djq h PHE 179 Ca 0.20 -0.17 -0.17 0.00 2.81 0.00 0.00 57.97 60.63 1djq h PHE 179 Cb 0.26 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1djq h PHE 179 CO 0.02 0.84 -0.80 1.25 -1.61 0.00 0.00 178.31 178.00 1djq h LEU 180 N 0.44 0.08 -9.03 1.54 5.85 -1.10 -3.43 115.31 109.66 1djq h LEU 180 Ca 0.04 -0.06 -0.61 0.00 0.84 0.00 0.00 57.88 58.09 1djq h LEU 180 Cb 0.86 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 1djq h LEU 180 CO 0.07 0.85 -0.13 0.21 -0.34 0.00 0.00 178.44 179.10 1djq s ASN 181 N -6.83 6.40 0.66 1.25 3.84 0.40 -4.89 114.94 115.76 1djq s ASN 181 Ca -0.01 0.47 0.44 0.00 0.21 0.00 0.00 52.86 53.97 1djq s ASN 181 Cb 0.11 -2.25 2.37 0.00 -0.55 0.00 0.00 41.25 40.93 1djq s ASN 181 CO 0.80 -0.18 2.35 -0.65 -2.79 0.00 0.00 177.10 176.62 1djq h PRO 182 N 7.80 0.00 -0.12 0.43 0.11 -1.83 -0.73 132.00 137.66 1djq h PRO 182 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1djq h PRO 182 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1djq h PRO 182 CO 0.70 0.00 0.04 -0.92 -0.21 0.00 0.00 178.00 177.61 1djq h TYR 183 N 0.00 0.15 0.00 0.65 5.03 -1.91 -3.29 116.97 117.60 1djq h TYR 183 Ca -0.00 0.00 -0.24 0.00 2.58 0.00 0.00 58.73 61.07 1djq h TYR 183 Cb 0.04 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.23 1djq h TYR 183 CO 0.00 0.13 -1.86 0.66 -1.32 0.00 0.00 178.16 175.77 1djq n TYR 184 N -4.48 0.00 -2.53 -3.82 4.01 -0.61 -4.96 117.16 104.77 1djq n TYR 184 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1djq n TYR 184 Cb 0.11 -0.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.55 1djq n TYR 184 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1djq s ASN 185 N -5.93 6.29 -0.10 7.72 3.84 -0.38 -4.33 114.94 122.04 1djq s ASN 185 Ca -0.21 0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.01 1djq s ASN 185 Cb 0.07 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.73 1djq s ASN 185 CO 0.31 -1.64 1.43 0.29 -2.79 0.00 0.00 177.10 174.70 1djq n LYS 186 N 8.74 3.18 -1.86 0.43 4.76 -1.26 -4.54 118.16 127.61 1djq n LYS 186 Ca 0.08 -2.60 -0.34 0.00 -2.87 0.00 0.00 58.31 52.58 1djq n LYS 186 Cb 0.49 -1.67 0.04 0.00 -1.84 0.00 0.00 35.03 32.05 1djq n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1djq s ARG 187 N -1.95 2.83 0.00 1.97 0.52 -1.26 -4.97 118.95 116.08 1djq s ARG 187 Ca 0.38 1.60 0.02 0.00 -0.52 0.00 0.00 55.73 57.22 1djq s ARG 187 Cb 0.27 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.85 1djq s ARG 187 CO 0.15 -1.26 0.88 0.25 0.02 0.00 0.00 175.30 175.34 1djq n THR 188 N -2.05 0.64 -1.08 0.02 -2.24 -1.26 -3.52 114.28 104.78 1djq n THR 188 Ca 0.12 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1djq n THR 188 Cb 0.51 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1djq n THR 188 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djq n ASP 189 N -0.13 0.00 0.00 3.42 5.75 -1.26 -4.88 116.55 119.45 1djq n ASP 189 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.90 1djq n ASP 189 Cb 0.21 0.00 0.58 0.00 -1.03 0.00 0.00 41.12 40.88 1djq n ASP 189 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1djq n LYS 190 N 0.00 0.54 -0.31 0.11 2.85 -1.26 -2.38 118.16 117.72 1djq n LYS 190 Ca 0.00 0.03 0.07 0.00 -1.05 0.00 0.00 58.31 57.36 1djq n LYS 190 Cb 0.00 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.10 1djq n LYS 190 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1djq n TYR 191 N -1.08 0.75 -4.14 5.58 4.01 -1.26 -4.48 117.16 116.53 1djq n TYR 191 Ca 0.14 -0.58 -0.13 0.00 -0.16 0.00 0.00 57.90 57.17 1djq n TYR 191 Cb 0.10 -0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 38.95 1djq n TYR 191 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1djq s GLY 192 N -1.15 1.38 0.00 2.72 0.00 -1.00 -4.12 107.32 105.15 1djq s GLY 192 Ca 0.33 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1djq s GLY 192 CO 0.18 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1djq n GLY 193 N -0.41 1.38 3.73 0.20 0.00 -1.23 -4.51 105.19 104.35 1djq n GLY 193 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1djq n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1djq s SER 194 N -4.00 3.91 0.19 1.61 1.04 -1.26 -4.75 113.70 110.44 1djq s SER 194 Ca 0.00 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 1djq s SER 194 Cb 0.00 -2.48 0.15 0.00 0.10 0.00 0.00 66.02 63.79 1djq s SER 194 CO 0.00 -2.42 1.81 0.25 0.98 0.00 0.00 173.24 173.87 1djq h LEU 195 N -1.39 0.52 -1.11 2.42 5.85 -1.97 1.00 115.31 120.62 1djq h LEU 195 Ca -0.45 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.35 1djq h LEU 195 Cb 1.25 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1djq h LEU 195 CO 0.49 0.36 0.61 1.05 -0.34 0.00 0.00 178.44 180.61 1djq h GLU 196 N 0.65 1.04 -0.15 1.25 9.09 -1.96 0.36 114.58 124.85 1djq h GLU 196 Ca 0.24 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.48 1djq h GLU 196 Cb 0.08 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1djq h GLU 196 CO -0.13 0.69 -0.35 -0.91 0.05 0.00 0.00 179.01 178.36 1djq h ASN 197 N 1.07 0.57 0.23 3.06 2.35 -1.52 -2.21 115.58 119.12 1djq h ASN 197 Ca 0.40 -0.57 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 1djq h ASN 197 Cb 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1djq h ASN 197 CO -0.15 1.03 -0.25 0.03 -1.65 0.00 0.00 177.43 176.44 1djq h ARG 198 N 0.13 0.05 0.00 0.81 3.08 -0.16 -2.59 114.38 115.69 1djq h ARG 198 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1djq h ARG 198 Cb 0.95 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1djq h ARG 198 CO 0.08 0.30 -0.23 0.00 -1.07 0.00 0.00 179.97 179.05 1djq h ALA 199 N 1.70 0.86 -0.34 0.04 0.00 -0.24 -3.24 119.26 118.04 1djq h ALA 199 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1djq h ALA 199 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1djq h ALA 199 CO 0.03 0.00 -0.15 -0.09 0.00 0.00 0.00 179.25 179.04 1djq h ARG 200 N 0.00 -0.09 -0.67 0.00 2.43 -0.98 -1.19 114.38 113.88 1djq h ARG 200 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1djq h ARG 200 Cb 0.81 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1djq h ARG 200 CO 0.00 -0.06 0.32 0.35 -1.51 0.00 0.00 179.97 179.07 1djq h PHE 201 N -0.09 0.57 -0.11 2.20 3.57 -1.77 0.28 116.94 121.59 1djq h PHE 201 Ca 0.17 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1djq h PHE 201 Cb 0.36 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1djq h PHE 201 CO -0.37 0.20 -0.02 2.35 -2.23 0.00 0.00 178.31 178.24 1djq h TRP 202 N 0.55 0.22 -0.69 0.41 2.91 -1.74 -1.95 115.95 115.66 1djq h TRP 202 Ca 0.33 -0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.33 1djq h TRP 202 Cb 0.34 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 1djq h TRP 202 CO -0.12 0.50 0.43 -0.07 -1.03 0.00 0.00 178.44 178.15 1djq h LEU 203 N -0.12 0.70 -0.51 0.65 3.38 -0.90 -1.00 115.31 117.51 1djq h LEU 203 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1djq h LEU 203 Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1djq h LEU 203 CO 0.01 0.48 -0.11 -0.33 0.09 0.00 0.00 178.44 178.58 1djq h GLU 204 N 0.83 0.97 -0.50 1.13 5.08 -0.92 -2.15 114.58 119.03 1djq h GLU 204 Ca 0.28 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1djq h GLU 204 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1djq h GLU 204 CO -0.11 1.04 0.23 1.15 -1.00 0.00 0.00 179.01 180.31 1djq h THR 205 N 0.84 1.20 -0.25 1.13 2.02 -0.99 -0.83 112.91 116.02 1djq h THR 205 Ca 0.13 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1djq h THR 205 Cb 0.67 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1djq h THR 205 CO 0.05 0.22 0.15 -0.07 0.37 0.00 0.00 175.52 176.24 1djq h LEU 206 N 0.66 0.30 -0.53 2.58 3.38 -1.09 0.04 115.31 120.65 1djq h LEU 206 Ca 0.17 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1djq h LEU 206 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1djq h LEU 206 CO -0.02 0.26 0.33 -0.08 0.09 0.00 0.00 178.44 179.01 1djq h GLU 207 N 0.32 0.64 -0.36 1.13 4.81 -1.23 0.19 114.58 120.07 1djq h GLU 207 Ca 0.09 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1djq h GLU 207 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1djq h GLU 207 CO -0.02 0.42 -0.29 0.87 -0.73 0.00 0.00 179.01 179.26 1djq h LYS 208 N 0.66 0.77 -0.31 1.92 1.57 -0.82 -0.94 116.57 119.41 1djq h LYS 208 Ca 0.21 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1djq h LYS 208 Cb -0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1djq h LYS 208 CO -0.08 0.96 -0.30 0.28 -0.57 0.00 0.00 179.45 179.74 1djq h VAL 209 N 0.65 1.30 -0.73 0.50 2.07 -0.64 -1.97 116.25 117.43 1djq h VAL 209 Ca 0.08 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1djq h VAL 209 Cb 0.82 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1djq h VAL 209 CO 0.07 0.47 0.37 0.50 0.02 0.00 0.00 177.57 179.00 1djq h LYS 210 N 0.50 1.03 -0.64 1.57 3.64 -0.54 -1.25 116.57 120.88 1djq h LYS 210 Ca 0.05 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1djq h LYS 210 Cb 0.87 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1djq h LYS 210 CO 0.07 0.79 0.20 1.25 -2.27 0.00 0.00 179.45 179.49 1djq h HIS 211 N 1.01 1.00 -0.15 1.91 2.76 -1.06 0.60 115.15 121.22 1djq h HIS 211 Ca 0.25 -0.09 -0.15 0.00 -2.20 0.00 0.00 60.37 58.18 1djq h HIS 211 Cb 0.08 -0.30 0.01 0.00 1.55 0.00 0.00 27.41 28.75 1djq h HIS 211 CO 0.00 0.80 -0.50 0.00 -1.30 0.00 0.00 177.93 176.94 1djq h ALA 212 N 1.27 0.26 0.00 5.26 0.00 -0.68 -3.40 119.26 121.97 1djq h ALA 212 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1djq h ALA 212 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1djq h ALA 212 CO -0.01 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.01 1djq n VAL 213 N -4.20 0.23 0.16 0.00 0.24 -0.53 -4.87 118.33 109.36 1djq n VAL 213 Ca -0.07 -0.30 0.19 0.00 -2.04 0.00 0.00 64.34 62.12 1djq n VAL 213 Cb 0.60 1.12 0.79 0.00 -1.47 0.00 0.00 33.84 34.88 1djq n VAL 213 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1djq h GLY 214 N 0.00 0.00 1.64 7.63 0.00 0.11 0.18 103.07 112.63 1djq h GLY 214 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1djq h GLY 214 CO 0.00 0.00 -0.40 1.48 0.00 0.00 0.00 176.54 177.62 1djq h SER 215 N 0.00 0.00 0.00 0.19 4.64 -1.90 -3.35 113.55 113.13 1djq h SER 215 Ca 0.13 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1djq h SER 215 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1djq h SER 215 CO -0.00 0.04 -1.71 0.47 -0.87 0.00 0.00 176.83 174.76 1djq n ASP 216 N -2.96 1.68 -4.23 4.97 9.92 -0.23 -4.95 116.55 120.75 1djq n ASP 216 Ca 0.02 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.09 1djq n ASP 216 Cb 0.55 1.52 -0.12 0.00 -0.64 0.00 0.00 41.12 42.44 1djq n ASP 216 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1djq s ALA 218 N -1.64 3.26 -0.41 0.00 0.00 -0.17 -4.41 121.76 118.39 1djq s ALA 218 Ca 0.05 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1djq s ALA 218 Cb -0.08 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1djq s ALA 218 CO 0.03 -0.03 0.33 0.42 0.00 0.00 0.00 175.76 176.51 1djq s ILE 219 N 0.12 5.22 0.21 0.00 -1.09 -1.26 -1.33 121.20 123.08 1djq s ILE 219 Ca 0.46 -0.60 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 1djq s ILE 219 Cb -0.22 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1djq s ILE 219 CO 0.28 -0.33 0.03 0.00 -1.23 0.00 0.00 174.94 173.69 1djq s ALA 220 N 1.77 3.25 -0.03 9.38 0.00 -0.40 -0.33 121.76 135.41 1djq s ALA 220 Ca 0.06 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1djq s ALA 220 Cb -0.19 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1djq s ALA 220 CO 0.11 0.38 -0.04 -0.08 0.00 0.00 0.00 175.76 176.13 1djq s THR 221 N -1.97 0.44 -0.19 0.00 -1.32 -1.09 -1.73 115.64 109.78 1djq s THR 221 Ca 0.29 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.52 1djq s THR 221 Cb -0.08 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 1djq s THR 221 CO 0.20 0.18 0.28 -0.60 -2.21 0.00 0.00 174.62 172.47 1djq s ARG 222 N 0.59 4.21 -0.08 7.08 3.52 -1.12 -1.92 118.95 131.23 1djq s ARG 222 Ca -0.07 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1djq s ARG 222 Cb -0.11 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1djq s ARG 222 CO -0.00 0.15 -0.06 0.12 -0.81 0.00 0.00 175.30 174.69 1djq s PHE 223 N 0.75 1.13 -1.09 5.12 5.36 0.10 -0.29 117.98 129.07 1djq s PHE 223 Ca 0.15 -0.45 -0.21 0.00 -0.96 0.00 0.00 56.93 55.46 1djq s PHE 223 Cb -0.13 -0.97 0.07 0.00 -0.34 0.00 0.00 43.02 41.65 1djq s PHE 223 CO 0.04 -0.34 1.49 0.20 -1.46 0.00 0.00 175.22 175.15 1djq s GLY 224 N 1.33 1.47 0.66 13.12 0.00 -1.11 -1.62 107.32 121.17 1djq s GLY 224 Ca -0.03 -2.52 0.41 0.00 0.00 0.00 0.00 44.72 42.57 1djq s GLY 224 CO -0.03 2.60 2.27 -0.24 0.00 0.00 0.00 173.10 177.70 1djq h VAL 225 N 6.30 0.04 -2.51 1.40 3.04 -1.71 -3.41 116.25 119.39 1djq h VAL 225 Ca 0.26 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.86 1djq h VAL 225 Cb 0.97 0.92 -0.25 0.00 -2.01 0.00 0.00 31.29 30.93 1djq h VAL 225 CO 1.40 0.00 -0.21 -0.62 -1.01 0.00 0.00 177.57 177.13 1djq s ASP 226 N -5.07 -0.59 0.00 3.17 -1.08 -1.26 -2.94 116.67 108.90 1djq s ASP 226 Ca -0.05 1.02 0.30 0.00 -0.52 0.00 0.00 52.55 53.30 1djq s ASP 226 Cb 0.12 0.93 1.43 0.00 -1.46 0.00 0.00 42.92 43.94 1djq s ASP 226 CO 0.39 -0.20 1.96 0.41 0.52 0.00 0.00 175.17 178.26 1djq n THR 227 N 3.95 0.00 -4.01 1.71 -1.04 -0.40 -1.06 114.28 113.42 1djq n THR 227 Ca -0.21 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 61.37 1djq n THR 227 Cb 0.56 -0.01 0.01 0.00 -1.82 0.00 0.00 70.33 69.07 1djq n THR 227 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1djq n VAL 228 N -0.49 -1.79 -0.01 12.58 0.24 -1.26 -4.19 118.33 123.40 1djq n VAL 228 Ca 0.20 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1djq n VAL 228 Cb 0.24 -2.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.13 1djq n VAL 228 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1djq n TYR 229 N -4.57 0.00 -2.53 6.34 4.01 -1.26 -5.02 117.16 114.13 1djq n TYR 229 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1djq n TYR 229 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1djq n TYR 229 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1djq n GLY 230 N 0.43 -1.74 3.76 2.72 0.00 -1.26 -4.90 105.19 104.21 1djq n GLY 230 Ca 0.00 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1djq n GLY 230 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1djq s PRO 231 N 0.00 3.51 0.00 1.61 0.02 -1.26 -3.28 135.00 135.60 1djq s PRO 231 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1djq s PRO 231 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.98 1djq s PRO 231 CO 0.00 -0.96 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 1djq n GLY 232 N 0.61 0.72 0.00 0.52 0.00 -1.26 -5.05 105.19 100.73 1djq n GLY 232 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1djq n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1djq n GLN 233 N -0.01 2.00 -2.58 1.61 6.02 -1.21 -4.01 117.38 119.21 1djq n GLN 233 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1djq n GLN 233 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1djq n GLN 233 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1djq s ILE 234 N 0.34 4.52 -0.13 5.09 -1.09 -1.26 -4.94 121.20 123.73 1djq s ILE 234 Ca 0.00 1.81 0.01 0.00 -2.23 0.00 0.00 60.65 60.24 1djq s ILE 234 Cb 0.00 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1djq s ILE 234 CO 0.00 0.06 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.00 1djq s GLU 235 N 1.66 3.30 0.26 2.79 2.02 -1.26 -1.27 118.70 126.20 1djq s GLU 235 Ca 0.53 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1djq s GLU 235 Cb -0.23 -2.56 0.54 0.00 0.10 0.00 0.00 34.13 31.98 1djq s GLU 235 CO 0.24 0.19 1.72 0.00 0.02 0.00 0.00 175.26 177.42 1djq h ALA 236 N 6.75 1.18 -0.28 5.21 0.00 -1.92 -0.78 119.26 129.43 1djq h ALA 236 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1djq h ALA 236 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1djq h ALA 236 CO 0.54 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1djq n GLU 237 N -5.02 1.83 0.00 0.00 1.02 -1.26 -0.07 120.64 117.14 1djq n GLU 237 Ca 0.17 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 1djq n GLU 237 Cb 0.49 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1djq n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1djq n VAL 238 N 0.50 0.00 0.06 2.62 0.31 -0.67 -4.85 118.33 116.31 1djq n VAL 238 Ca 0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1djq n VAL 238 Cb 0.34 -0.04 0.15 0.00 -0.91 0.00 0.00 33.84 33.38 1djq n VAL 238 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1djq h ASP 239 N 0.00 0.37 -0.08 4.52 3.32 -1.74 -3.28 116.42 119.53 1djq h ASP 239 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1djq h ASP 239 Cb 0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1djq h ASP 239 CO 0.00 0.79 -0.21 1.23 -1.72 0.00 0.00 179.24 179.32 1djq h GLY 240 N 1.24 -1.44 1.43 2.75 0.00 -1.21 -0.41 103.07 105.43 1djq h GLY 240 Ca 0.02 0.71 -0.06 0.00 0.00 0.00 0.00 47.33 47.99 1djq h GLY 240 CO 0.08 -0.46 0.01 1.46 0.00 0.00 0.00 176.54 177.62 1djq h GLN 241 N -0.21 0.70 -0.71 4.80 4.20 -0.62 -2.91 115.11 120.37 1djq h GLN 241 Ca 0.02 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1djq h GLN 241 Cb 0.26 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1djq h GLN 241 CO -0.19 0.71 0.24 0.87 -0.67 0.00 0.00 178.83 179.80 1djq h LYS 242 N 0.66 1.08 -0.74 1.46 1.57 -1.57 -2.07 116.57 116.96 1djq h LYS 242 Ca 0.13 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1djq h LYS 242 Cb 0.40 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1djq h LYS 242 CO 0.02 0.90 0.23 0.35 -0.57 0.00 0.00 179.45 180.38 1djq h PHE 243 N 1.04 1.19 -0.49 -1.35 3.57 -0.92 -1.85 116.94 118.14 1djq h PHE 243 Ca 0.23 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1djq h PHE 243 Cb 0.26 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1djq h PHE 243 CO 0.02 0.94 0.30 0.28 -2.23 0.00 0.00 178.31 177.62 1djq h VAL 244 N 1.10 1.07 -0.74 1.41 2.07 -1.25 -0.26 116.25 119.64 1djq h VAL 244 Ca 0.24 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1djq h VAL 244 Cb 0.31 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1djq h VAL 244 CO -0.01 0.11 0.46 -0.33 0.02 0.00 0.00 177.57 177.82 1djq h GLU 245 N 0.60 1.00 -0.25 1.57 5.08 -1.13 0.20 114.58 121.63 1djq h GLU 245 Ca 0.19 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1djq h GLU 245 Cb -0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1djq h GLU 245 CO -0.08 0.69 0.11 0.52 -1.00 0.00 0.00 179.01 179.26 1djq h MET 246 N 1.01 0.37 -0.00 2.33 2.86 -0.71 -3.23 114.93 117.55 1djq h MET 246 Ca 0.27 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1djq h MET 246 Cb -0.06 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1djq h MET 246 CO -0.05 0.38 -0.45 0.00 1.06 0.00 0.00 176.91 177.85 1djq n ALA 247 N -2.24 3.45 -0.31 6.32 0.00 -0.17 -4.52 120.51 123.04 1djq n ALA 247 Ca -0.03 -0.36 0.16 0.00 0.00 0.00 0.00 53.44 53.22 1djq n ALA 247 Cb 0.11 -1.13 0.35 0.00 0.00 0.00 0.00 19.45 18.78 1djq n ALA 247 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1djq h ASP 248 N 0.23 0.17 0.97 0.00 -0.00 -0.63 -0.03 116.42 117.13 1djq h ASP 248 Ca 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 57.03 57.20 1djq h ASP 248 Cb 0.50 0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1djq h ASP 248 CO 0.00 -0.14 -0.09 0.77 -0.00 0.00 0.00 179.24 179.77 1djq h SER 249 N 0.25 0.00 1.11 2.28 4.64 -1.82 -3.08 113.55 116.94 1djq h SER 249 Ca 0.61 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.88 1djq h SER 249 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1djq h SER 249 CO -0.64 0.09 -0.91 -0.07 -0.87 0.00 0.00 176.83 174.43 1djq h LEU 250 N 0.00 0.00 -9.75 5.97 3.38 -1.32 -3.47 115.31 110.12 1djq h LEU 250 Ca -0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1djq h LEU 250 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1djq h LEU 250 CO 0.01 0.18 -0.53 0.68 0.09 0.00 0.00 178.44 178.88 1djq s VAL 251 N -3.20 5.16 -0.18 1.22 -7.23 -1.10 -4.91 120.40 110.15 1djq s VAL 251 Ca 0.00 -0.33 0.22 0.00 -1.81 0.00 0.00 61.98 60.06 1djq s VAL 251 Cb 0.08 -3.43 -0.14 0.00 0.56 0.00 0.00 36.38 33.46 1djq s VAL 251 CO 0.77 0.27 0.83 0.47 -0.31 0.00 0.00 175.10 177.13 1djq n ASP 252 N 0.81 0.51 -3.64 4.85 8.00 0.55 -4.96 116.55 122.69 1djq n ASP 252 Ca -0.10 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 1djq n ASP 252 Cb 0.52 1.06 -0.07 0.00 -0.02 0.00 0.00 41.12 42.61 1djq n ASP 252 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djq s MET 253 N -3.41 0.59 -0.19 -1.24 0.00 -1.24 -4.23 119.30 109.58 1djq s MET 253 Ca -0.03 0.73 -0.09 0.00 0.00 0.00 0.00 55.69 56.30 1djq s MET 253 Cb 0.12 0.28 -0.05 0.00 0.00 0.00 0.00 34.83 35.18 1djq s MET 253 CO 0.84 -0.07 0.10 -1.58 0.00 0.00 0.00 175.02 174.30 1djq s TRP 254 N 0.38 3.36 -0.28 4.11 0.52 -0.18 -2.68 118.94 124.18 1djq s TRP 254 Ca 0.01 0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.38 1djq s TRP 254 Cb -0.05 -2.11 0.05 0.00 -1.15 0.00 0.00 33.47 30.21 1djq s TRP 254 CO -0.05 0.27 -0.06 0.34 0.02 0.00 0.00 176.95 177.46 1djq s ASP 255 N 0.26 4.61 -0.10 2.95 -1.08 -0.81 -1.70 116.67 120.80 1djq s ASP 255 Ca 0.07 -1.30 -0.04 0.00 -0.52 0.00 0.00 52.55 50.76 1djq s ASP 255 Cb -0.12 -1.62 -0.04 0.00 -1.46 0.00 0.00 42.92 39.68 1djq s ASP 255 CO -0.01 -0.21 0.05 -0.63 0.52 0.00 0.00 175.17 174.89 1djq s ILE 256 N 1.18 4.72 0.29 4.11 -1.09 -0.37 -0.72 121.20 129.32 1djq s ILE 256 Ca -0.07 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1djq s ILE 256 Cb -0.20 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1djq s ILE 256 CO -0.03 0.61 0.21 0.42 -1.23 0.00 0.00 174.94 174.91 1djq s THR 257 N -0.91 0.07 0.07 2.92 -4.23 -0.64 -3.98 115.64 108.93 1djq s THR 257 Ca 0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1djq s THR 257 Cb -0.12 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1djq s THR 257 CO 0.03 0.00 -0.07 0.27 -0.54 0.00 0.00 174.62 174.31 1djq s ILE 258 N -3.69 0.60 0.00 2.99 -4.36 -1.26 -1.79 121.20 113.69 1djq s ILE 258 Ca 0.39 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 1djq s ILE 258 Cb 0.04 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.65 1djq s ILE 258 CO 0.21 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.39 1djq n GLY 259 N 0.78 0.45 0.00 6.27 0.00 -0.23 -3.68 105.19 108.77 1djq n GLY 259 Ca -0.18 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1djq n GLY 259 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1djq n ASP 260 N -0.09 0.05 -0.13 1.61 5.75 -1.26 -4.37 116.55 118.11 1djq n ASP 260 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 1djq n ASP 260 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1djq n ASP 260 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1djq n ILE 261 N 0.00 1.45 -0.08 2.12 0.13 -1.26 -3.50 119.36 118.22 1djq n ILE 261 Ca 0.00 -0.53 0.03 0.00 -1.10 0.00 0.00 62.75 61.15 1djq n ILE 261 Cb 0.00 -1.47 0.36 0.00 -0.84 0.00 0.00 39.64 37.70 1djq n ILE 261 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1djq h ALA 262 N -0.15 1.63 -1.42 1.51 0.00 -1.93 -2.99 119.26 115.91 1djq h ALA 262 Ca -0.58 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 1djq h ALA 262 Cb 1.83 -0.21 -0.42 0.00 0.00 0.00 0.00 17.79 19.00 1djq h ALA 262 CO -0.14 0.34 -0.84 0.39 0.00 0.00 0.00 179.25 179.00 1djq n GLU 263 N -4.46 2.86 0.00 0.00 1.02 -1.26 -4.86 120.64 113.93 1djq n GLU 263 Ca 0.05 -4.21 0.04 0.00 -0.02 0.00 0.00 57.16 53.02 1djq n GLU 263 Cb 0.06 -2.00 0.23 0.00 -0.02 0.00 0.00 31.44 29.70 1djq n GLU 263 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1djq n TRP 264 N -0.37 0.00 0.40 -0.32 4.27 -1.13 -1.55 117.44 118.74 1djq n TRP 264 Ca 0.32 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 54.04 1djq n TRP 264 Cb 0.69 0.00 0.47 0.00 -1.36 0.00 0.00 31.31 31.11 1djq n TRP 264 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1djq n GLY 265 N 0.10 -1.23 0.20 -1.67 0.00 -1.26 -0.93 105.19 100.41 1djq n GLY 265 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1djq n GLY 265 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1djq h GLU 266 N 0.00 0.00 0.00 1.61 4.39 -1.60 -2.67 114.58 116.31 1djq h GLU 266 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1djq h GLU 266 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1djq h GLU 266 CO 0.00 0.29 -0.18 0.22 -1.16 0.00 0.00 179.01 178.18 1djq h ASP 267 N 0.00 0.00 0.00 1.42 3.58 -1.15 -3.40 116.42 116.88 1djq h ASP 267 Ca -0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 1djq h ASP 267 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1djq h ASP 267 CO 0.04 0.29 3.36 0.00 -2.88 0.00 0.00 179.24 180.05 1djq n ALA 268 N -2.75 6.24 -1.63 -0.78 0.00 -0.10 -4.91 120.51 116.57 1djq n ALA 268 Ca -0.03 -3.53 -0.51 0.00 0.00 0.00 0.00 53.44 49.38 1djq n ALA 268 Cb 0.09 -3.43 -0.06 0.00 0.00 0.00 0.00 19.45 16.06 1djq n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 269 N 3.87 1.04 3.77 0.00 0.00 -1.01 -4.65 105.19 108.22 1djq n GLY 269 Ca 0.63 0.90 -0.37 0.00 0.00 0.00 0.00 46.02 47.18 1djq n GLY 269 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1djq s PRO 270 N 4.60 3.87 0.62 1.61 0.02 -1.26 -4.79 135.00 139.67 1djq s PRO 270 Ca 0.99 1.69 0.39 0.00 0.02 0.00 0.00 61.00 64.09 1djq s PRO 270 Cb -0.82 -2.43 2.05 0.00 0.02 0.00 0.00 34.50 33.32 1djq s PRO 270 CO 0.54 -0.44 2.25 0.66 -0.33 0.00 0.00 177.00 179.69 1djq h SER 271 N 2.15 0.00 -0.38 2.53 4.64 -1.36 -0.07 113.55 121.06 1djq h SER 271 Ca -0.49 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.88 1djq h SER 271 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1djq h SER 271 CO 0.61 0.02 0.26 -0.09 -0.87 0.00 0.00 176.83 176.75 1djq h ARG 272 N 0.00 0.30 0.00 4.77 2.43 -1.79 -3.32 114.38 116.78 1djq h ARG 272 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1djq h ARG 272 Cb 0.14 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1djq h ARG 272 CO 0.00 0.20 -1.07 1.19 -1.51 0.00 0.00 179.97 178.78 1djq n PHE 273 N -4.48 0.00 -4.66 2.20 3.01 -0.59 -4.71 117.46 108.22 1djq n PHE 273 Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.26 1djq n PHE 273 Cb 0.23 -0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 39.51 1djq n PHE 273 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1djq s TYR 274 N -2.04 1.58 0.53 1.38 2.02 -0.14 -5.04 117.35 115.64 1djq s TYR 274 Ca -0.00 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1djq s TYR 274 Cb 0.00 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1djq s TYR 274 CO 0.04 0.03 0.75 -0.65 -1.57 0.00 0.00 175.55 174.15 1djq s GLN 275 N -0.83 2.63 0.29 -0.62 -0.21 -1.26 -4.12 119.66 115.53 1djq s GLN 275 Ca 0.06 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 1djq s GLN 275 Cb -0.08 -2.51 -0.12 0.00 1.00 0.00 0.00 33.01 31.30 1djq s GLN 275 CO 0.01 -0.63 1.48 0.94 -2.12 0.00 0.00 175.29 174.96 1djq n GLN 276 N -2.28 2.37 -1.05 2.91 7.27 -1.26 -1.76 117.38 123.58 1djq n GLN 276 Ca 0.07 0.84 -0.02 0.00 0.07 0.00 0.00 57.00 57.96 1djq n GLN 276 Cb 0.59 -2.55 -0.01 0.00 2.41 0.00 0.00 30.24 30.69 1djq n GLN 276 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1djq n GLY 277 N 1.85 0.52 0.32 1.69 0.00 0.77 -4.93 105.19 105.42 1djq n GLY 277 Ca 0.09 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.68 1djq n GLY 277 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1djq h HIS 278 N 0.00 0.00 0.00 1.61 2.07 -1.55 -2.49 115.15 114.79 1djq h HIS 278 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1djq h HIS 278 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 1djq h HIS 278 CO 0.07 0.00 -0.48 0.25 -3.07 0.00 0.00 177.93 174.70 1djq n THR 279 N -3.41 0.13 -0.31 6.12 -2.24 -1.26 -4.55 114.28 108.77 1djq n THR 279 Ca -0.03 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1djq n THR 279 Cb 0.10 0.02 0.25 0.00 -2.10 0.00 0.00 70.33 68.61 1djq n THR 279 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1djq h ILE 280 N 0.00 0.17 -0.62 2.28 2.04 -1.78 -0.86 117.51 118.74 1djq h ILE 280 Ca 0.00 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1djq h ILE 280 Cb 0.59 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1djq h ILE 280 CO 0.00 0.01 0.42 -0.65 0.00 0.00 0.00 178.15 177.94 1djq h PRO 281 N 0.08 0.27 0.06 2.37 0.11 -1.84 -1.82 132.00 131.22 1djq h PRO 281 Ca 0.54 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.39 1djq h PRO 281 Cb 1.07 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1djq h PRO 281 CO -0.79 0.18 -1.30 -1.49 -0.21 0.00 0.00 178.00 174.38 1djq h TRP 282 N 0.28 0.22 -0.72 0.65 6.55 -1.53 -3.38 115.95 118.02 1djq h TRP 282 Ca 0.30 -0.16 0.05 0.00 0.95 0.00 0.00 58.89 60.03 1djq h TRP 282 Cb 0.78 -0.01 -0.05 0.00 -0.86 0.00 0.00 29.16 29.02 1djq h TRP 282 CO -0.00 1.51 0.43 0.28 -1.05 0.00 0.00 178.44 179.61 1djq h VAL 283 N -0.61 1.03 0.00 1.49 2.07 -1.19 -2.21 116.25 116.83 1djq h VAL 283 Ca -0.31 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1djq h VAL 283 Cb 1.53 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1djq h VAL 283 CO -0.06 0.15 -0.02 0.07 0.02 0.00 0.00 177.57 177.73 1djq h LYS 284 N 0.81 0.00 0.00 1.57 2.10 -1.51 -1.46 116.57 118.09 1djq h LYS 284 Ca 0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1djq h LYS 284 Cb 0.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1djq h LYS 284 CO -0.15 0.02 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.24 1djq h LEU 285 N 0.00 0.00 -0.04 7.07 3.38 -1.57 -2.53 115.31 121.62 1djq h LEU 285 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1djq h LEU 285 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1djq h LEU 285 CO 0.00 0.01 -0.41 0.58 0.09 0.00 0.00 178.44 178.71 1djq h VAL 286 N 0.00 1.44 -0.84 1.22 2.07 -1.38 -3.21 116.25 115.55 1djq h VAL 286 Ca -0.00 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.69 1djq h VAL 286 Cb 0.01 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1djq h VAL 286 CO 0.00 0.54 0.55 0.11 0.02 0.00 0.00 177.57 178.79 1djq h LYS 287 N -0.17 0.95 -0.68 1.57 1.79 -1.54 0.39 116.57 118.88 1djq h LYS 287 Ca -0.04 -0.06 0.20 0.00 -2.18 0.00 0.00 60.65 58.57 1djq h LYS 287 Cb 1.10 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.51 1djq h LYS 287 CO 0.08 0.63 0.50 0.37 -1.08 0.00 0.00 179.45 179.95 1djq h GLN 288 N 0.98 0.00 0.00 3.15 4.15 -1.48 -3.06 115.11 118.84 1djq h GLN 288 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1djq h GLN 288 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1djq h GLN 288 CO -0.11 0.00 -0.04 1.33 -1.93 0.00 0.00 178.83 178.07 1djq n VAL 289 N -4.29 0.00 -3.38 2.39 0.24 -0.56 -5.06 118.33 107.66 1djq n VAL 289 Ca 0.13 -0.46 -0.28 0.00 -2.04 0.00 0.00 64.34 61.69 1djq n VAL 289 Cb 0.76 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 34.08 1djq n VAL 289 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1djq s SER 290 N -1.01 6.42 0.00 -1.34 0.15 0.02 -4.77 113.70 113.17 1djq s SER 290 Ca 0.00 0.65 0.08 0.00 0.70 0.00 0.00 55.95 57.39 1djq s SER 290 Cb 0.00 -2.12 0.18 0.00 -1.71 0.00 0.00 66.02 62.37 1djq s SER 290 CO 0.00 -0.19 1.05 0.29 1.20 0.00 0.00 173.24 175.60 1djq n LYS 291 N -0.97 1.99 -4.25 5.44 4.76 -1.26 -4.87 118.16 118.99 1djq n LYS 291 Ca -0.02 -1.62 -0.23 0.00 -2.87 0.00 0.00 58.31 53.57 1djq n LYS 291 Cb 0.54 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.47 1djq n LYS 291 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1djq s LYS 292 N -0.91 2.30 0.24 1.97 -0.14 -1.26 -5.09 119.74 116.86 1djq s LYS 292 Ca 0.15 -1.48 -0.31 0.00 -1.36 0.00 0.00 55.97 52.97 1djq s LYS 292 Cb 0.09 -2.15 -0.12 0.00 -1.68 0.00 0.00 37.83 33.97 1djq s LYS 292 CO 0.12 0.28 1.58 -2.30 -0.76 0.00 0.00 175.35 174.27 1djq n PRO 293 N -0.97 2.49 -4.69 -1.68 -0.02 -1.26 -4.82 135.00 124.05 1djq n PRO 293 Ca -0.05 0.89 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 1djq n PRO 293 Cb 0.60 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1djq n PRO 293 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1djq s VAL 294 N 0.41 2.04 0.00 -1.45 1.01 -1.26 -1.01 120.40 120.14 1djq s VAL 294 Ca 0.70 -1.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1djq s VAL 294 Cb -0.56 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1djq s VAL 294 CO 0.43 0.24 0.20 -1.48 0.00 0.00 0.00 175.10 174.49 1djq s LEU 295 N -1.46 1.32 -0.27 3.92 0.05 -0.69 -0.55 118.68 121.00 1djq s LEU 295 Ca 0.11 -0.13 -0.08 0.00 0.05 0.00 0.00 54.13 54.08 1djq s LEU 295 Cb -0.10 0.88 0.13 0.00 -2.05 0.00 0.00 46.19 45.05 1djq s LEU 295 CO 0.03 -0.41 0.57 -0.83 -0.55 0.00 0.00 176.35 175.16 1djq s GLY 296 N -1.43 -0.66 0.97 -3.48 0.00 -1.26 -1.24 107.32 100.22 1djq s GLY 296 Ca -0.14 2.00 -0.11 0.00 0.00 0.00 0.00 44.72 46.47 1djq s GLY 296 CO 0.02 2.93 0.93 3.33 0.00 0.00 0.00 173.10 180.31 1djq n VAL 297 N 5.43 0.00 -2.07 1.40 0.24 -1.26 -4.67 118.33 117.40 1djq n VAL 297 Ca -0.09 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1djq n VAL 297 Cb 0.49 -0.90 0.01 0.00 -1.47 0.00 0.00 33.84 31.97 1djq n VAL 297 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1djq n GLY 298 N 0.69 -0.38 3.84 7.63 0.00 -1.26 -4.68 105.19 111.03 1djq n GLY 298 Ca 0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1djq n GLY 298 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1djq n ARG 299 N -0.15 -4.27 -2.47 1.61 0.63 -1.26 -0.17 116.66 110.59 1djq n ARG 299 Ca -0.04 0.52 -0.43 0.00 -0.92 0.00 0.00 57.85 56.98 1djq n ARG 299 Cb 0.45 -4.95 -0.02 0.00 0.45 0.00 0.00 32.46 28.40 1djq n ARG 299 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1djq s TYR 300 N -3.74 2.92 0.00 -0.14 2.02 -1.26 -4.67 117.35 112.48 1djq s TYR 300 Ca 0.08 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 1djq s TYR 300 Cb -0.04 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 1djq s TYR 300 CO 0.85 -1.49 0.00 0.25 -1.57 0.00 0.00 175.55 173.59 1djq n THR 301 N 5.41 0.00 -3.52 -0.71 -2.24 -1.26 -4.75 114.28 107.21 1djq n THR 301 Ca 0.14 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 1djq n THR 301 Cb 0.45 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 1djq n THR 301 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1djq s ASP 302 N -0.96 6.09 0.46 3.42 3.68 -1.26 -4.97 116.67 123.12 1djq s ASP 302 Ca 0.00 -0.11 0.21 0.00 2.13 0.00 0.00 52.55 54.78 1djq s ASP 302 Cb 0.00 -2.15 1.19 0.00 -1.45 0.00 0.00 42.92 40.51 1djq s ASP 302 CO 0.00 -0.16 1.90 -0.65 0.13 0.00 0.00 175.17 176.39 1djq h PRO 303 N 8.39 0.27 -0.52 4.34 0.11 -1.99 0.71 132.00 143.32 1djq h PRO 303 Ca -0.33 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 1djq h PRO 303 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1djq h PRO 303 CO 0.61 0.18 -0.11 0.93 -0.21 0.00 0.00 178.00 179.40 1djq h GLU 304 N 0.28 0.97 -0.17 1.05 4.39 -2.00 -1.46 114.58 117.64 1djq h GLU 304 Ca 0.40 -0.35 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1djq h GLU 304 Cb 1.15 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1djq h GLU 304 CO -0.11 1.02 -0.58 -0.22 -1.16 0.00 0.00 179.01 177.96 1djq h LYS 305 N 0.86 0.55 -0.11 2.33 1.63 -1.34 -2.64 116.57 117.86 1djq h LYS 305 Ca 0.14 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1djq h LYS 305 Cb 0.65 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1djq h LYS 305 CO 0.05 0.97 0.06 0.52 -3.45 0.00 0.00 179.45 177.60 1djq h MET 306 N 0.42 0.15 0.00 1.90 2.86 -0.95 -2.59 114.93 116.72 1djq h MET 306 Ca 0.00 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1djq h MET 306 Cb 1.13 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1djq h MET 306 CO 0.11 0.19 -0.30 -0.84 1.06 0.00 0.00 176.91 177.13 1djq h ILE 307 N 0.07 1.15 -0.22 -1.22 3.07 -1.26 -2.90 117.51 116.21 1djq h ILE 307 Ca 0.04 -1.05 -0.01 0.00 1.55 0.00 0.00 64.86 65.38 1djq h ILE 307 Cb 0.09 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.21 1djq h ILE 307 CO -0.01 0.29 0.08 -0.08 -1.05 0.00 0.00 178.15 177.39 1djq h GLU 308 N 0.00 0.33 -0.23 0.16 4.81 -1.12 0.10 114.58 118.63 1djq h GLU 308 Ca -0.00 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1djq h GLU 308 Cb 0.55 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1djq h GLU 308 CO 0.04 0.39 -0.28 -0.84 -0.73 0.00 0.00 179.01 177.59 1djq h ILE 309 N 0.20 1.27 0.13 2.32 3.07 -1.34 -0.74 117.51 122.42 1djq h ILE 309 Ca 0.07 -1.32 -0.01 0.00 1.55 0.00 0.00 64.86 65.16 1djq h ILE 309 Cb 0.19 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 1djq h ILE 309 CO -0.01 0.41 -0.06 0.58 -1.05 0.00 0.00 178.15 178.03 1djq h VAL 310 N 0.39 1.05 -0.12 0.16 2.07 -1.35 0.19 116.25 118.63 1djq h VAL 310 Ca 0.05 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1djq h VAL 310 Cb 0.70 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1djq h VAL 310 CO 0.05 0.22 -0.35 0.71 0.02 0.00 0.00 177.57 178.23 1djq h THR 311 N -0.66 1.28 0.00 2.57 1.35 -0.98 -2.11 112.91 114.36 1djq h THR 311 Ca -0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1djq h THR 311 Cb 0.50 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1djq h THR 311 CO 0.03 0.41 0.00 0.29 -0.25 0.00 0.00 175.52 176.00 1djq n LYS 312 N -4.08 0.25 -1.74 4.72 5.02 -0.29 -4.90 118.16 117.14 1djq n LYS 312 Ca -0.01 0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1djq n LYS 312 Cb 0.43 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1djq n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djq n GLY 313 N 0.77 0.36 0.09 0.72 0.00 -0.79 -4.96 105.19 101.38 1djq n GLY 313 Ca 0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1djq n GLY 313 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1djq h TYR 314 N 0.00 0.00 -2.89 1.61 0.05 -0.85 -3.46 116.97 111.43 1djq h TYR 314 Ca -0.03 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.78 1djq h TYR 314 Cb 0.75 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.39 1djq h TYR 314 CO 0.03 0.79 0.26 0.00 -1.05 0.00 0.00 178.16 178.19 1djq s ALA 315 N -2.78 -1.51 -0.02 3.88 0.00 -1.15 -4.23 121.76 115.94 1djq s ALA 315 Ca -0.01 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.35 1djq s ALA 315 Cb 0.09 0.82 -0.18 0.00 0.00 0.00 0.00 23.12 23.84 1djq s ALA 315 CO 0.81 -0.86 0.25 -0.25 0.00 0.00 0.00 175.76 175.71 1djq n ASP 316 N -0.40 2.34 -4.20 0.00 8.00 0.28 -4.10 116.55 118.47 1djq n ASP 316 Ca -0.12 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.20 1djq n ASP 316 Cb 0.63 1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 43.12 1djq n ASP 316 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1djq s ILE 317 N -2.79 1.21 -0.53 0.53 1.01 -1.08 -4.92 121.20 114.63 1djq s ILE 317 Ca -0.04 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 58.96 1djq s ILE 317 Cb 0.07 -1.29 0.13 0.00 0.01 0.00 0.00 42.46 41.38 1djq s ILE 317 CO 0.48 -0.32 0.47 -0.63 0.00 0.00 0.00 174.94 174.95 1djq s ILE 318 N -1.69 5.03 0.03 2.92 -1.09 0.99 -4.45 121.20 122.94 1djq s ILE 318 Ca 0.03 -1.55 -0.20 0.00 -2.23 0.00 0.00 60.65 56.70 1djq s ILE 318 Cb -0.07 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1djq s ILE 318 CO 0.02 -0.85 0.60 -0.83 -1.23 0.00 0.00 174.94 172.65 1djq s GLY 319 N 3.43 2.65 0.04 6.18 0.00 -1.26 -1.45 107.32 116.91 1djq s GLY 319 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 1djq s GLY 319 CO 0.02 0.67 0.08 0.00 0.00 0.00 0.00 173.10 173.87 1djq n ALA 321 N 0.74 2.66 -0.14 0.00 0.00 -1.26 -1.50 120.51 121.01 1djq n ALA 321 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1djq n ALA 321 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.05 1djq n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1djq h ARG 322 N 0.00 0.49 -0.36 0.00 3.08 -1.97 -1.56 114.38 114.06 1djq h ARG 322 Ca 0.00 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1djq h ARG 322 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1djq h ARG 322 CO 0.00 0.32 0.26 -1.35 -1.07 0.00 0.00 179.97 178.14 1djq h PRO 323 N 0.50 0.00 0.00 0.04 0.11 -1.90 -0.06 132.00 130.69 1djq h PRO 323 Ca 0.17 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 1djq h PRO 323 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1djq h PRO 323 CO -0.08 0.00 -0.50 0.66 -0.21 0.00 0.00 178.00 177.87 1djq h SER 324 N 0.00 0.00 -0.00 -2.05 4.64 -1.53 -1.71 113.55 112.90 1djq h SER 324 Ca 0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1djq h SER 324 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1djq h SER 324 CO -0.00 0.50 -0.30 0.40 -0.87 0.00 0.00 176.83 176.55 1djq h ILE 325 N 0.00 1.53 -0.81 0.95 2.04 -0.77 -2.62 117.51 117.83 1djq h ILE 325 Ca -0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 1djq h ILE 325 Cb 1.24 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 40.02 1djq h ILE 325 CO 0.06 0.54 0.35 0.00 0.00 0.00 0.00 178.15 179.11 1djq h ALA 326 N 0.27 1.05 -2.50 1.87 0.00 -1.35 -3.39 119.26 115.21 1djq h ALA 326 Ca -0.04 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 1djq h ALA 326 Cb 1.05 -0.32 -0.38 0.00 0.00 0.00 0.00 17.79 18.15 1djq h ALA 326 CO 0.06 0.65 -0.82 0.34 0.00 0.00 0.00 179.25 179.49 1djq s ASP 327 N -6.32 2.73 0.64 0.00 -1.08 -0.65 -4.36 116.67 107.63 1djq s ASP 327 Ca -0.12 -2.00 0.37 0.00 -0.52 0.00 0.00 52.55 50.27 1djq s ASP 327 Cb 0.16 -0.24 2.09 0.00 -1.46 0.00 0.00 42.92 43.47 1djq s ASP 327 CO 0.84 -0.31 2.27 -0.65 0.52 0.00 0.00 175.17 177.83 1djq h PRO 328 N 7.15 0.00 -0.64 4.34 0.11 -1.66 -1.95 132.00 139.35 1djq h PRO 328 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1djq h PRO 328 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1djq h PRO 328 CO 0.27 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.25 1djq n PHE 329 N -3.38 1.57 -0.22 0.65 3.01 -1.26 -4.36 117.46 113.47 1djq n PHE 329 Ca -0.02 -0.63 0.03 0.00 1.01 0.00 0.00 57.45 57.83 1djq n PHE 329 Cb 0.14 -0.28 0.14 0.00 -0.01 0.00 0.00 39.48 39.47 1djq n PHE 329 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1djq h LEU 330 N 4.06 0.03 -0.55 4.37 6.46 -1.58 -1.58 115.31 126.53 1djq h LEU 330 Ca 0.00 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1djq h LEU 330 Cb 1.53 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.60 1djq h LEU 330 CO 0.27 0.00 0.28 -0.65 -0.62 0.00 0.00 178.44 177.72 1djq h PRO 331 N 0.28 0.78 -0.50 5.25 0.11 -1.83 -1.94 132.00 134.16 1djq h PRO 331 Ca 0.36 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 1djq h PRO 331 Cb 0.57 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1djq h PRO 331 CO -0.44 0.63 0.30 0.37 -0.21 0.00 0.00 178.00 178.65 1djq h GLN 332 N 0.74 0.67 -0.66 1.05 4.15 -0.64 -0.29 115.11 120.12 1djq h GLN 332 Ca 0.19 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1djq h GLN 332 Cb 0.09 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1djq h GLN 332 CO -0.03 0.48 0.40 0.87 -1.93 0.00 0.00 178.83 178.63 1djq h LYS 333 N 0.67 0.90 -0.20 1.69 1.57 -1.09 -0.01 116.57 120.10 1djq h LYS 333 Ca 0.18 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1djq h LYS 333 Cb -0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1djq h LYS 333 CO -0.03 0.63 -0.32 0.28 -0.57 0.00 0.00 179.45 179.43 1djq h VAL 334 N 0.91 1.33 -0.95 0.50 2.07 -0.94 0.28 116.25 119.45 1djq h VAL 334 Ca 0.24 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1djq h VAL 334 Cb -0.04 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1djq h VAL 334 CO -0.05 0.47 0.63 -0.08 0.02 0.00 0.00 177.57 178.56 1djq h GLU 335 N 0.25 1.21 -0.01 1.57 4.81 -0.45 -1.94 114.58 120.02 1djq h GLU 335 Ca 0.02 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1djq h GLU 335 Cb 0.91 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1djq h GLU 335 CO 0.07 0.80 -0.08 1.04 -0.73 0.00 0.00 179.01 180.11 1djq n GLN 336 N -4.45 1.00 -1.01 1.92 6.02 -0.07 -4.22 117.38 116.56 1djq n GLN 336 Ca 0.12 -0.41 -0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1djq n GLN 336 Cb 0.06 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 1djq n GLN 336 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1djq n GLY 337 N 1.21 0.45 2.34 1.08 0.00 -0.67 -3.85 105.19 105.75 1djq n GLY 337 Ca 0.17 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1djq n GLY 337 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djq n ARG 338 N -2.43 3.62 -0.35 1.61 1.74 0.88 -4.70 116.66 117.04 1djq n ARG 338 Ca -0.00 -2.46 0.06 0.00 -0.77 0.00 0.00 57.85 54.68 1djq n ARG 338 Cb 0.08 -2.56 0.24 0.00 -1.02 0.00 0.00 32.46 29.20 1djq n ARG 338 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1djq h TYR 339 N 4.37 1.11 0.00 -1.55 -1.99 -1.92 -1.56 116.97 115.43 1djq h TYR 339 Ca 0.67 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.43 1djq h TYR 339 Cb 0.51 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1djq h TYR 339 CO 1.74 0.49 0.00 -0.40 -0.00 0.00 0.00 178.16 179.99 1djq n ASP 340 N -4.56 0.00 -0.35 3.88 5.75 -1.26 -2.30 116.55 117.70 1djq n ASP 340 Ca 0.17 0.08 0.12 0.00 -0.01 0.00 0.00 54.79 55.15 1djq n ASP 340 Cb 0.30 -0.31 0.17 0.00 -1.03 0.00 0.00 41.12 40.25 1djq n ASP 340 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1djq n ASP 341 N -1.31 1.51 -4.67 -1.12 8.00 -0.59 -4.85 116.55 113.52 1djq n ASP 341 Ca 0.08 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1djq n ASP 341 Cb 0.15 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 1djq n ASP 341 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1djq s ILE 342 N -2.52 3.68 -0.74 0.53 1.01 -0.97 -4.96 121.20 117.22 1djq s ILE 342 Ca 0.20 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.61 1djq s ILE 342 Cb 0.18 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 39.13 1djq s ILE 342 CO 0.56 -0.04 0.97 -0.60 0.00 0.00 0.00 174.94 175.83 1djq s ARG 343 N 3.12 3.27 0.09 2.79 3.52 -1.26 -4.99 118.95 125.49 1djq s ARG 343 Ca 0.67 -1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 54.68 1djq s ARG 343 Cb -0.32 -4.48 -0.07 0.00 -1.56 0.00 0.00 34.95 28.53 1djq s ARG 343 CO 0.26 -1.74 1.27 0.08 -0.81 0.00 0.00 175.30 174.36 1djq s VAL 344 N 3.26 3.74 0.25 7.11 1.01 -1.26 -4.01 120.40 130.50 1djq s VAL 344 Ca 0.24 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1djq s VAL 344 Cb -0.14 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 1djq s VAL 344 CO 0.02 0.10 1.52 0.00 0.00 0.00 0.00 175.10 176.74 1djq n ILE 346 N 2.50 0.43 -2.82 0.00 -5.35 -1.26 -4.95 119.36 107.89 1djq n ILE 346 Ca 0.08 -0.52 -0.21 0.00 -0.27 0.00 0.00 62.75 61.83 1djq n ILE 346 Cb 0.39 0.45 0.02 0.00 -1.74 0.00 0.00 39.64 38.75 1djq n ILE 346 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1djq n GLY 347 N 1.23 -0.51 0.21 3.28 0.00 -1.26 -4.44 105.19 103.70 1djq n GLY 347 Ca 0.16 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1djq n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq n ASN 349 N -3.08 -5.31 0.18 0.00 3.02 -1.26 -4.87 115.26 103.93 1djq n ASN 349 Ca 0.04 0.35 0.03 0.00 -0.03 0.00 0.00 54.58 54.97 1djq n ASN 349 Cb 0.54 -4.44 0.32 0.00 -0.61 0.00 0.00 39.78 35.59 1djq n ASN 349 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djq h VAL 350 N 0.00 1.13 -0.45 2.41 2.07 -1.91 -1.56 116.25 117.94 1djq h VAL 350 Ca -0.40 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1djq h VAL 350 Cb 1.25 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1djq h VAL 350 CO 0.56 0.42 0.13 0.00 0.02 0.00 0.00 177.57 178.69 1djq h ILE 352 N 0.59 1.26 -0.80 0.00 2.04 -1.82 -3.09 117.51 115.69 1djq h ILE 352 Ca 0.14 -0.98 0.17 0.00 1.00 0.00 0.00 64.86 65.20 1djq h ILE 352 Cb 0.29 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1djq h ILE 352 CO -0.00 0.37 0.54 0.77 0.00 0.00 0.00 178.15 179.82 1djq h SER 353 N 0.97 0.34 -0.38 1.72 4.64 -1.02 -0.48 113.55 119.35 1djq h SER 353 Ca 0.20 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1djq h SER 353 Cb 0.40 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1djq h SER 353 CO 0.01 0.16 -0.18 0.03 -0.87 0.00 0.00 176.83 175.98 1djq h ARG 354 N 0.35 0.80 0.06 4.77 2.47 -1.50 -1.53 114.38 119.80 1djq h ARG 354 Ca 0.40 -0.35 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1djq h ARG 354 Cb 1.03 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1djq h ARG 354 CO -0.12 0.97 -0.03 2.35 0.56 0.00 0.00 179.97 183.70 1djq h TRP 355 N 0.60 -0.08 -0.91 3.04 7.01 -1.22 -2.97 115.95 121.42 1djq h TRP 355 Ca 0.09 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.16 1djq h TRP 355 Cb 0.73 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.75 1djq h TRP 355 CO 0.06 0.09 0.59 0.93 -2.79 0.00 0.00 178.44 177.31 1djq h GLU 356 N -0.23 0.96 -0.06 2.65 4.39 -1.23 -1.25 114.58 119.80 1djq h GLU 356 Ca -0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1djq h GLU 356 Cb 0.20 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1djq h GLU 356 CO 0.01 0.64 -0.04 0.82 -1.16 0.00 0.00 179.01 179.28 1djq h ILE 357 N 0.99 1.07 -1.01 3.13 2.04 -1.12 -3.48 117.51 119.13 1djq h ILE 357 Ca 0.40 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1djq h ILE 357 Cb 0.26 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1djq h ILE 357 CO -0.16 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.69 1djq n GLY 358 N -1.30 -0.95 0.00 5.37 0.00 -0.47 -4.94 105.19 102.89 1djq n GLY 358 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1djq n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djq n GLY 359 N 0.37 3.25 3.77 -0.02 0.00 -1.19 -4.80 105.19 106.57 1djq n GLY 359 Ca 0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1djq n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1djq s PRO 360 N 0.00 2.96 0.72 1.61 0.04 -1.26 -4.94 135.00 134.12 1djq s PRO 360 Ca 0.00 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 1djq s PRO 360 Cb 0.00 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1djq s PRO 360 CO 0.00 -1.15 1.10 -1.25 0.04 0.00 0.00 177.00 175.74 1djq s PRO 361 N -3.72 2.52 0.58 0.56 0.04 -1.26 -4.52 135.00 129.21 1djq s PRO 361 Ca 0.71 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1djq s PRO 361 Cb -0.23 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1djq s PRO 361 CO 0.36 -1.45 1.14 1.41 0.04 0.00 0.00 177.00 178.49 1djq s MET 362 N -4.49 3.13 0.07 4.56 -2.45 -0.45 -4.85 119.30 114.83 1djq s MET 362 Ca 0.64 1.59 0.00 0.00 -1.25 0.00 0.00 55.69 56.67 1djq s MET 362 Cb -0.19 -1.98 -0.04 0.00 1.25 0.00 0.00 34.83 33.87 1djq s MET 362 CO 0.49 -1.02 -0.05 0.96 1.05 0.00 0.00 175.02 176.45 1djq s ILE 363 N -1.90 0.45 -0.03 10.11 -4.36 -1.26 -4.51 121.20 119.70 1djq s ILE 363 Ca 0.72 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 59.35 1djq s ILE 363 Cb -0.24 -1.48 0.01 0.00 1.25 0.00 0.00 42.46 41.99 1djq s ILE 363 CO 0.32 -0.88 -0.07 0.00 0.24 0.00 0.00 174.94 174.54 1djq h THR 365 N 5.51 1.25 0.07 0.00 2.02 -1.95 -3.29 112.91 116.52 1djq h THR 365 Ca -0.34 -0.76 -0.18 0.00 0.77 0.00 0.00 66.41 65.90 1djq h THR 365 Cb 1.17 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1djq h THR 365 CO 0.49 0.32 -0.90 1.56 0.37 0.00 0.00 175.52 177.36 1djq h GLN 366 N 1.11 0.14 -4.22 6.66 1.08 -1.93 -3.43 115.11 114.52 1djq h GLN 366 Ca 0.26 -0.25 -0.74 0.00 -1.45 0.00 0.00 58.65 56.47 1djq h GLN 366 Cb 0.18 0.09 -0.26 0.00 -0.05 0.00 0.00 27.48 27.44 1djq h GLN 366 CO -0.03 1.12 -0.31 1.21 -0.95 0.00 0.00 178.83 179.87 1djq s ASN 367 N -6.77 5.97 0.00 1.46 2.47 -1.24 -4.93 114.94 111.90 1djq s ASN 367 Ca -0.20 -1.74 0.17 0.00 0.42 0.00 0.00 52.86 51.52 1djq s ASN 367 Cb 0.02 -2.12 0.82 0.00 -1.45 0.00 0.00 41.25 38.52 1djq s ASN 367 CO 0.73 -0.75 1.53 0.00 -3.72 0.00 0.00 177.10 174.89 1djq n ALA 368 N 5.10 1.88 0.80 1.71 0.00 -1.26 -2.50 120.51 126.25 1djq n ALA 368 Ca -0.11 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1djq n ALA 368 Cb 0.41 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.69 1djq n ALA 368 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1djq n THR 369 N -1.37 0.10 -1.66 0.00 -2.24 -1.26 -4.73 114.28 103.11 1djq n THR 369 Ca 0.07 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1djq n THR 369 Cb 0.16 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1djq n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djq n ALA 370 N -1.65 1.54 0.00 6.98 0.00 -1.04 0.17 120.51 126.51 1djq n ALA 370 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1djq n ALA 370 Cb 0.38 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1djq n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 371 N 4.55 1.48 0.13 0.00 0.00 -1.26 -4.55 105.19 105.54 1djq n GLY 371 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1djq n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1djq n GLU 372 N -2.00 2.31 -0.06 1.61 -0.58 0.13 -4.62 120.64 117.43 1djq n GLU 372 Ca 0.00 -0.31 -0.08 0.00 -0.42 0.00 0.00 57.16 56.35 1djq n GLU 372 Cb 0.00 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 1djq n GLU 372 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1djq h GLU 373 N 0.65 -0.26 0.09 3.49 3.07 -1.56 -1.69 114.58 118.37 1djq h GLU 373 Ca 0.00 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1djq h GLU 373 Cb 0.38 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1djq h GLU 373 CO 0.00 -0.17 -0.04 -0.92 -1.40 0.00 0.00 179.01 176.48 1djq h TYR 374 N -0.27 -0.11 0.00 4.33 5.03 -1.85 -1.74 116.97 122.36 1djq h TYR 374 Ca 0.14 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 1djq h TYR 374 Cb 0.49 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 1djq h TYR 374 CO -0.42 0.22 -0.19 0.07 -1.32 0.00 0.00 178.16 176.51 1djq h ARG 375 N -0.99 0.00 -0.00 1.82 0.11 -1.82 -3.19 114.38 110.31 1djq h ARG 375 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1djq h ARG 375 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1djq h ARG 375 CO 0.02 0.19 -0.17 0.54 0.10 0.00 0.00 179.97 180.65 1djq n ARG 376 N -3.95 5.11 -2.29 0.08 1.74 -0.65 -0.67 116.66 116.03 1djq n ARG 376 Ca -0.02 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 1djq n ARG 376 Cb 0.28 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1djq n ARG 376 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1djq n GLY 377 N 1.01 0.01 3.48 -0.13 0.00 -0.67 -5.00 105.19 103.90 1djq n GLY 377 Ca 0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1djq n GLY 377 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1djq s TRP 378 N -2.57 3.09 0.08 1.61 0.51 -1.16 -4.99 118.94 115.52 1djq s TRP 378 Ca 0.03 -0.35 -0.24 0.00 -2.12 0.00 0.00 56.10 53.43 1djq s TRP 378 Cb -0.02 -3.27 -0.06 0.00 -0.81 0.00 0.00 33.47 29.31 1djq s TRP 378 CO 0.04 -0.88 0.73 -1.58 -0.51 0.00 0.00 176.95 174.76 1djq s HIS 379 N 2.52 3.79 0.26 -1.98 2.46 -1.26 -3.93 115.29 117.14 1djq s HIS 379 Ca 0.16 1.47 0.37 0.00 0.47 0.00 0.00 55.06 57.53 1djq s HIS 379 Cb -0.17 -2.75 1.66 0.00 -0.13 0.00 0.00 32.58 31.19 1djq s HIS 379 CO 0.15 0.39 2.09 -1.00 -2.47 0.00 0.00 174.74 173.89 1djq h PRO 380 N 5.14 0.00 -0.00 2.88 0.13 -1.96 -3.26 132.00 134.93 1djq h PRO 380 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1djq h PRO 380 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1djq h PRO 380 CO 0.68 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 1djq n GLU 381 N -3.10 0.21 -4.59 0.86 -0.58 -1.26 -5.00 120.64 107.18 1djq n GLU 381 Ca -0.00 -0.80 -0.28 0.00 -0.42 0.00 0.00 57.16 55.66 1djq n GLU 381 Cb 0.24 -1.00 -0.17 0.00 -0.57 0.00 0.00 31.44 29.94 1djq n GLU 381 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1djq s LYS 382 N -0.30 2.14 0.01 3.49 1.02 -1.23 -5.13 119.74 119.73 1djq s LYS 382 Ca 0.00 -0.55 0.06 0.00 0.02 0.00 0.00 55.97 55.50 1djq s LYS 382 Cb 0.00 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1djq s LYS 382 CO 0.00 -0.00 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.18 1djq s PHE 383 N 0.81 1.62 0.01 3.18 0.40 -1.26 -4.38 117.98 118.36 1djq s PHE 383 Ca -0.11 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 1djq s PHE 383 Cb -0.16 -1.02 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 1djq s PHE 383 CO 0.02 0.01 1.42 0.50 0.70 0.00 0.00 175.22 177.86 1djq s ARG 384 N -0.69 4.28 0.13 0.44 3.52 -1.26 -4.92 118.95 120.45 1djq s ARG 384 Ca 0.07 2.00 -0.28 0.00 -0.13 0.00 0.00 55.73 57.38 1djq s ARG 384 Cb -0.07 -3.56 -0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1djq s ARG 384 CO 0.00 -0.58 0.87 -0.65 -0.81 0.00 0.00 175.30 174.13 1djq s GLN 385 N 2.37 4.66 0.45 5.12 -1.52 -1.26 -4.67 119.66 124.80 1djq s GLN 385 Ca 0.65 1.31 -0.23 0.00 -1.95 0.00 0.00 55.36 55.14 1djq s GLN 385 Cb -0.32 -3.33 -0.08 0.00 -0.22 0.00 0.00 33.01 29.06 1djq s GLN 385 CO 0.27 0.36 1.12 -0.08 -0.25 0.00 0.00 175.29 176.71 1djq s THR 386 N -0.47 3.35 -1.85 -0.19 -1.32 -0.25 -4.95 115.64 109.97 1djq s THR 386 Ca 0.42 1.00 0.23 0.00 -1.21 0.00 0.00 61.69 62.12 1djq s THR 386 Cb -0.23 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.23 1djq s THR 386 CO 0.28 -0.03 1.09 2.29 -2.21 0.00 0.00 174.62 176.04 1djq n LYS 387 N -0.43 0.99 -2.11 7.08 2.85 -1.26 -4.97 118.16 120.31 1djq n LYS 387 Ca 0.07 -0.81 -0.06 0.00 -1.05 0.00 0.00 58.31 56.46 1djq n LYS 387 Cb 0.49 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1djq n LYS 387 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1djq n ASN 388 N -0.30 1.49 -1.86 -5.58 0.23 -1.26 -5.07 115.26 102.91 1djq n ASN 388 Ca 0.09 -1.47 -0.11 0.00 -0.53 0.00 0.00 54.58 52.56 1djq n ASN 388 Cb 0.44 -0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.20 1djq n ASN 388 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1djq n LYS 389 N -0.78 2.58 -2.12 -3.83 5.02 -1.26 -4.95 118.16 112.82 1djq n LYS 389 Ca -0.01 -3.71 -0.40 0.00 -2.02 0.00 0.00 58.31 52.17 1djq n LYS 389 Cb 0.15 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.30 1djq n LYS 389 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1djq s ASP 390 N -3.45 6.53 -0.01 4.39 -0.00 -1.26 -4.84 116.67 118.03 1djq s ASP 390 Ca 0.42 2.61 -0.00 0.00 -0.00 0.00 0.00 52.55 55.58 1djq s ASP 390 Cb 0.38 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.63 1djq s ASP 390 CO -0.01 -0.70 0.06 -0.94 -0.00 0.00 0.00 175.17 173.58 1djq s SER 391 N -0.71 5.51 -0.05 0.27 1.04 -1.26 -2.70 113.70 115.80 1djq s SER 391 Ca 0.54 0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1djq s SER 391 Cb -0.37 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1djq s SER 391 CO 0.49 0.28 -0.16 -0.69 0.98 0.00 0.00 173.24 174.14 1djq s VAL 392 N -1.15 1.37 -0.21 5.02 1.01 0.12 -1.96 120.40 124.61 1djq s VAL 392 Ca 0.21 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1djq s VAL 392 Cb -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1djq s VAL 392 CO 0.12 0.40 0.11 -0.22 0.00 0.00 0.00 175.10 175.51 1djq s LEU 393 N 0.23 3.96 -0.21 3.92 2.96 -0.53 -0.45 118.68 128.56 1djq s LEU 393 Ca -0.08 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1djq s LEU 393 Cb -0.13 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1djq s LEU 393 CO 0.03 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.41 1djq s ILE 394 N 0.65 2.18 -0.52 6.68 1.01 0.13 -0.37 121.20 130.95 1djq s ILE 394 Ca 0.06 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 1djq s ILE 394 Cb -0.13 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.36 1djq s ILE 394 CO 0.01 0.31 0.57 -0.69 0.00 0.00 0.00 174.94 175.15 1djq s VAL 395 N 1.23 4.99 0.00 2.92 1.01 -0.59 -1.34 120.40 128.62 1djq s VAL 395 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1djq s VAL 395 Cb -0.16 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1djq s VAL 395 CO -0.09 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 174.78 1djq n GLY 396 N 5.22 3.63 1.49 4.51 0.00 0.33 -1.13 105.19 119.23 1djq n GLY 396 Ca -0.10 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1djq n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq n ALA 397 N 0.00 4.73 -1.21 4.61 0.00 -1.26 -4.17 120.51 123.22 1djq n ALA 397 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1djq n ALA 397 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1djq n ALA 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 398 N -1.03 -0.68 0.29 0.00 0.00 -1.26 -0.84 105.19 101.67 1djq n GLY 398 Ca 0.39 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1djq n GLY 398 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djq h PRO 399 N 0.00 0.31 0.09 1.61 0.11 -1.96 0.94 132.00 133.10 1djq h PRO 399 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1djq h PRO 399 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1djq h PRO 399 CO 0.00 0.20 -0.04 0.66 -0.21 0.00 0.00 178.00 178.61 1djq h SER 400 N 0.31 -0.11 -0.18 -2.05 4.64 -1.88 -2.90 113.55 111.38 1djq h SER 400 Ca 0.46 -0.47 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1djq h SER 400 Cb 0.82 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1djq h SER 400 CO -0.52 0.47 0.10 1.23 -0.87 0.00 0.00 176.83 177.24 1djq h GLY 401 N -0.75 0.24 1.79 -0.77 0.00 -1.66 -1.34 103.07 100.59 1djq h GLY 401 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1djq h GLY 401 CO 0.02 0.06 -0.02 1.48 0.00 0.00 0.00 176.54 178.08 1djq h SER 402 N 0.20 0.25 -0.08 0.19 4.64 -0.94 -0.87 113.55 116.95 1djq h SER 402 Ca 0.07 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1djq h SER 402 Cb 0.01 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1djq h SER 402 CO -0.04 0.32 -0.80 -0.08 -0.87 0.00 0.00 176.83 175.36 1djq h GLU 403 N 0.27 0.67 -0.50 4.77 4.57 -1.26 -1.66 114.58 121.45 1djq h GLU 403 Ca 0.06 -0.63 0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1djq h GLU 403 Cb 0.23 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1djq h GLU 403 CO 0.01 1.23 0.31 0.00 -1.18 0.00 0.00 179.01 179.38 1djq h ALA 404 N 0.46 0.64 0.04 2.92 0.00 -0.88 -0.83 119.26 121.59 1djq h ALA 404 Ca -0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1djq h ALA 404 Cb 1.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1djq h ALA 404 CO 0.16 0.02 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 1djq h ALA 405 N 1.21 -0.25 -0.32 0.00 0.00 -1.13 -0.89 119.26 117.88 1djq h ALA 405 Ca 0.20 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1djq h ALA 405 Cb -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1djq h ALA 405 CO -0.08 -0.68 0.02 -0.09 0.00 0.00 0.00 179.25 178.42 1djq h ARG 406 N -0.31 0.11 -0.36 0.00 2.43 -0.94 -0.73 114.38 114.57 1djq h ARG 406 Ca 0.04 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1djq h ARG 406 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1djq h ARG 406 CO -0.14 0.07 0.00 0.28 -1.51 0.00 0.00 179.97 178.67 1djq h VAL 407 N 0.11 1.26 -0.88 0.20 2.07 -0.89 -1.46 116.25 116.65 1djq h VAL 407 Ca 0.15 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1djq h VAL 407 Cb 0.20 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1djq h VAL 407 CO -0.24 0.33 0.57 -0.07 0.02 0.00 0.00 177.57 178.17 1djq h LEU 408 N 0.45 1.03 -0.60 2.57 3.38 -0.91 -0.74 115.31 120.50 1djq h LEU 408 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1djq h LEU 408 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1djq h LEU 408 CO 0.02 0.76 0.17 0.24 0.09 0.00 0.00 178.44 179.71 1djq h MET 409 N 1.20 0.94 0.00 1.13 2.86 -0.89 -1.13 114.93 119.05 1djq h MET 409 Ca 0.32 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1djq h MET 409 Cb -0.11 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 1djq h MET 409 CO -0.07 0.85 -0.15 0.93 1.06 0.00 0.00 176.91 179.54 1djq h GLU 410 N 0.86 0.00 -0.01 1.72 4.39 -0.75 -1.50 114.58 119.29 1djq h GLU 410 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1djq h GLU 410 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1djq h GLU 410 CO -0.00 0.15 -0.02 0.43 -1.16 0.00 0.00 179.01 178.41 1djq n SER 411 N -4.07 0.80 0.00 1.42 7.64 -0.33 -4.87 113.62 114.21 1djq n SER 411 Ca -0.02 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1djq n SER 411 Cb 0.23 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1djq n SER 411 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1djq n GLY 412 N 1.12 0.74 3.87 0.23 0.00 -0.56 -1.09 105.19 109.50 1djq n GLY 412 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1djq n GLY 412 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djq s TYR 413 N -2.47 3.27 -0.19 1.61 2.02 -0.83 -4.88 117.35 115.88 1djq s TYR 413 Ca 0.00 1.10 -0.14 0.00 -0.37 0.00 0.00 57.07 57.66 1djq s TYR 413 Cb 0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1djq s TYR 413 CO 0.00 -1.23 0.32 0.99 -1.57 0.00 0.00 175.55 174.06 1djq s THR 414 N -3.30 5.26 -0.02 -0.71 2.01 -1.10 -4.54 115.64 113.25 1djq s THR 414 Ca 0.58 0.57 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1djq s THR 414 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1djq s THR 414 CO 0.52 0.32 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.87 1djq s VAL 415 N 0.97 1.66 -0.28 3.82 1.01 -1.26 0.10 120.40 126.43 1djq s VAL 415 Ca 0.16 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1djq s VAL 415 Cb -0.14 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.93 1djq s VAL 415 CO 0.06 0.47 -0.03 -1.00 0.00 0.00 0.00 175.10 174.60 1djq s HIS 416 N -0.46 3.05 -0.22 5.22 3.76 0.40 -0.20 115.29 126.85 1djq s HIS 416 Ca 0.07 -2.33 -0.08 0.00 -0.15 0.00 0.00 55.06 52.57 1djq s HIS 416 Cb -0.08 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1djq s HIS 416 CO -0.01 -0.87 0.07 -1.17 -0.85 0.00 0.00 174.74 171.91 1djq s LEU 417 N 1.16 3.66 0.10 0.89 2.96 -0.18 -0.69 118.68 126.58 1djq s LEU 417 Ca -0.00 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1djq s LEU 417 Cb -0.19 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1djq s LEU 417 CO -0.08 0.07 -0.13 0.28 -1.32 0.00 0.00 176.35 175.18 1djq s THR 418 N 0.98 1.12 0.02 3.68 -1.32 -0.45 -0.76 115.64 118.91 1djq s THR 418 Ca 0.04 -1.57 -0.28 0.00 -1.21 0.00 0.00 61.69 58.67 1djq s THR 418 Cb -0.14 -1.33 0.07 0.00 -1.51 0.00 0.00 72.50 69.59 1djq s THR 418 CO 0.03 -0.42 0.68 -0.62 -2.21 0.00 0.00 174.62 172.08 1djq s ASP 419 N -2.25 -0.60 0.20 8.08 -1.08 -0.98 -0.51 116.67 119.53 1djq s ASP 419 Ca 0.05 0.43 0.10 0.00 -0.52 0.00 0.00 52.55 52.61 1djq s ASP 419 Cb -0.06 0.54 0.05 0.00 -1.46 0.00 0.00 42.92 42.00 1djq s ASP 419 CO 0.02 -0.72 1.43 0.71 0.52 0.00 0.00 175.17 177.13 1djq h THR 420 N 2.60 1.45 -4.24 1.71 1.35 -1.87 -2.50 112.91 111.40 1djq h THR 420 Ca -0.29 -2.75 -0.52 0.00 -0.55 0.00 0.00 66.41 62.31 1djq h THR 420 Cb 1.20 2.52 0.13 0.00 -1.73 0.00 0.00 68.15 70.28 1djq h THR 420 CO 0.38 0.76 0.34 0.00 -0.25 0.00 0.00 175.52 176.75 1djq s ALA 421 N -3.06 2.23 -0.39 6.62 0.00 -1.26 -3.47 121.76 122.43 1djq s ALA 421 Ca 0.01 0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.69 1djq s ALA 421 Cb 0.10 -3.34 0.28 0.00 0.00 0.00 0.00 23.12 20.16 1djq s ALA 421 CO 0.78 -1.71 1.53 0.93 0.00 0.00 0.00 175.76 177.29 1djq h GLU 422 N -0.64 0.00 -5.00 0.00 5.08 -1.92 0.80 114.58 112.89 1djq h GLU 422 Ca -0.45 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.59 1djq h GLU 422 Cb 1.25 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 1djq h GLU 422 CO 0.51 0.05 -0.72 0.15 -1.00 0.00 0.00 179.01 178.00 1djq s LYS 423 N -3.20 0.94 0.50 2.33 1.02 -1.26 -4.64 119.74 115.43 1djq s LYS 423 Ca 0.06 -1.29 -0.21 0.00 0.02 0.00 0.00 55.97 54.54 1djq s LYS 423 Cb 0.06 -0.56 -0.07 0.00 -0.52 0.00 0.00 37.83 36.74 1djq s LYS 423 CO 0.69 0.07 1.16 0.42 -0.92 0.00 0.00 175.35 176.77 1djq s ILE 424 N -2.88 3.09 0.00 2.17 1.01 -1.26 -4.37 121.20 118.97 1djq s ILE 424 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1djq s ILE 424 Cb -0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1djq s ILE 424 CO -0.00 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1djq n GLY 425 N 0.34 1.59 7.00 6.18 0.00 -0.02 -4.91 105.19 115.37 1djq n GLY 425 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1djq n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djq n GLY 426 N 0.00 3.00 0.31 -0.02 0.00 -1.24 -1.78 105.19 105.45 1djq n GLY 426 Ca 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 46.02 45.93 1djq n GLY 426 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1djq h HIS 427 N 0.00 0.00 0.00 1.61 2.07 -1.96 -2.44 115.15 114.43 1djq h HIS 427 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1djq h HIS 427 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 1djq h HIS 427 CO 0.00 0.00 -0.07 1.25 -3.07 0.00 0.00 177.93 176.04 1djq h LEU 428 N 0.00 0.00 -1.22 6.12 5.85 -1.77 -1.47 115.31 122.82 1djq h LEU 428 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1djq h LEU 428 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1djq h LEU 428 CO 0.00 0.07 -0.37 0.78 -0.34 0.00 0.00 178.44 178.57 1djq h ASN 429 N 0.00 0.00 0.00 1.25 2.35 -1.54 -1.58 115.58 116.07 1djq h ASN 429 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1djq h ASN 429 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1djq h ASN 429 CO 0.01 0.37 -0.27 1.56 -1.65 0.00 0.00 177.43 177.45 1djq h GLN 430 N 0.00 0.01 -0.81 0.81 4.20 -1.48 -3.36 115.11 114.47 1djq h GLN 430 Ca -0.00 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.84 1djq h GLN 430 Cb 0.72 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.40 1djq h GLN 430 CO 0.05 1.00 0.38 0.28 -0.67 0.00 0.00 178.83 179.87 1djq h VAL 431 N -0.99 0.68 0.00 -0.54 2.07 -1.33 0.29 116.25 116.44 1djq h VAL 431 Ca -0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1djq h VAL 431 Cb 1.07 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1djq h VAL 431 CO -0.04 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1djq n ALA 432 N -2.46 1.50 1.14 1.67 0.00 -0.60 -1.61 120.51 120.14 1djq n ALA 432 Ca 0.16 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1djq n ALA 432 Cb 0.44 -1.17 0.29 0.00 0.00 0.00 0.00 19.45 19.01 1djq n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1djq n ALA 433 N -1.47 3.34 -1.63 0.00 0.00 0.09 -3.22 120.51 117.61 1djq n ALA 433 Ca 0.03 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 1djq n ALA 433 Cb 0.12 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1djq n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djq s LEU 434 N -2.69 3.56 0.10 0.00 1.43 -0.63 -4.90 118.68 115.53 1djq s LEU 434 Ca 0.19 2.14 -0.35 0.00 -1.03 0.00 0.00 54.13 55.08 1djq s LEU 434 Cb 0.18 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.69 1djq s LEU 434 CO 0.60 -1.51 1.57 -2.65 0.23 0.00 0.00 176.35 174.59 1djq n PRO 435 N -1.91 1.90 -0.13 1.29 -0.02 -1.26 -1.95 135.00 132.92 1djq n PRO 435 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1djq n PRO 435 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1djq n PRO 435 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djq n GLY 436 N 3.38 2.72 1.66 -1.23 0.00 -1.26 -4.87 105.19 105.59 1djq n GLY 436 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1djq n GLY 436 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djq n LEU 437 N 0.00 4.95 -0.35 0.99 4.77 -0.82 -3.79 117.00 122.75 1djq n LEU 437 Ca 0.00 -2.51 0.06 0.00 -0.03 0.00 0.00 56.01 53.53 1djq n LEU 437 Cb 0.00 -0.65 0.22 0.00 -2.33 0.00 0.00 43.42 40.67 1djq n LEU 437 CO 0.00 0.59 1.22 1.23 -1.33 0.00 0.00 177.39 179.10 1djq h GLY 438 N 4.21 1.58 2.00 -0.72 0.00 -1.75 -1.62 103.07 106.78 1djq h GLY 438 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1djq h GLY 438 CO 0.40 0.17 0.00 1.18 0.00 0.00 0.00 176.54 178.29 1djq n GLU 439 N -4.63 0.04 0.13 4.80 1.02 -1.26 -2.20 120.64 118.54 1djq n GLU 439 Ca 0.18 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 1djq n GLU 439 Cb 0.33 -1.58 0.48 0.00 -0.02 0.00 0.00 31.44 30.65 1djq n GLU 439 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1djq n TRP 440 N -1.65 0.82 0.27 -0.32 7.02 -0.61 -2.22 117.44 120.75 1djq n TRP 440 Ca 0.03 0.31 0.16 0.00 -1.02 0.00 0.00 57.50 56.98 1djq n TRP 440 Cb 0.16 -1.00 0.74 0.00 -2.42 0.00 0.00 31.31 28.79 1djq n TRP 440 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1djq h SER 441 N 0.00 0.00 -0.40 -0.99 4.64 -1.62 -2.61 113.55 112.57 1djq h SER 441 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1djq h SER 441 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1djq h SER 441 CO 0.00 0.07 0.34 1.88 -0.87 0.00 0.00 176.83 178.25 1djq h TYR 442 N 0.00 0.00 -0.33 4.77 0.05 -1.68 0.20 116.97 119.98 1djq h TYR 442 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1djq h TYR 442 Cb 0.43 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1djq h TYR 442 CO 0.00 0.00 0.20 1.25 -1.05 0.00 0.00 178.16 178.56 1djq h HIS 443 N 0.00 0.43 0.00 4.88 2.76 -1.70 -0.53 115.15 120.99 1djq h HIS 443 Ca 0.19 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.16 1djq h HIS 443 Cb 0.86 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 1djq h HIS 443 CO 0.00 0.31 -0.95 0.07 -1.30 0.00 0.00 177.93 176.05 1djq h ARG 444 N 0.42 0.00 -0.48 5.26 -0.00 -0.93 -3.07 114.38 115.58 1djq h ARG 444 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.08 1djq h ARG 444 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 1djq h ARG 444 CO -0.02 0.84 0.23 -0.44 -0.00 0.00 0.00 179.97 180.58 1djq h ASP 445 N 0.00 0.63 -0.17 0.08 3.32 -0.66 -0.18 116.42 119.44 1djq h ASP 445 Ca -0.03 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1djq h ASP 445 Cb 1.70 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1djq h ASP 445 CO 0.11 0.58 0.10 0.22 -1.72 0.00 0.00 179.24 178.53 1djq h TYR 446 N 0.63 0.23 -0.17 4.55 5.03 -1.15 -0.59 116.97 125.50 1djq h TYR 446 Ca 0.16 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.39 1djq h TYR 446 Cb 0.12 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 1djq h TYR 446 CO -0.01 0.19 -0.27 0.00 -1.32 0.00 0.00 178.16 176.75 1djq h ARG 447 N 0.20 0.32 0.36 1.82 3.08 -1.41 -1.37 114.38 117.37 1djq h ARG 447 Ca 0.06 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1djq h ARG 447 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1djq h ARG 447 CO -0.01 0.57 -0.17 1.49 -1.07 0.00 0.00 179.97 180.78 1djq h GLU 448 N 0.28 -0.46 -0.72 0.04 4.81 -0.77 0.47 114.58 118.23 1djq h GLU 448 Ca 0.04 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1djq h GLU 448 Cb 0.64 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1djq h GLU 448 CO 0.05 -0.17 0.37 1.15 -0.73 0.00 0.00 179.01 179.68 1djq h THR 449 N -0.72 0.87 -0.16 0.32 2.02 -1.05 -1.40 112.91 112.80 1djq h THR 449 Ca -0.05 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1djq h THR 449 Cb 0.50 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1djq h THR 449 CO 0.08 0.12 -0.23 1.56 0.37 0.00 0.00 175.52 177.42 1djq h GLN 450 N 0.64 0.43 -0.60 6.66 1.08 -1.14 -2.47 115.11 119.71 1djq h GLN 450 Ca 0.35 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1djq h GLN 450 Cb 0.34 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1djq h GLN 450 CO -0.25 0.84 0.35 0.82 -0.95 0.00 0.00 178.83 179.64 1djq h ILE 451 N 0.06 1.18 -0.25 2.54 2.04 -0.67 0.05 117.51 122.46 1djq h ILE 451 Ca 0.02 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1djq h ILE 451 Cb 0.80 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1djq h ILE 451 CO 0.05 0.19 0.02 0.74 0.00 0.00 0.00 178.15 179.15 1djq h THR 452 N 0.81 0.84 -0.61 -0.27 2.02 -1.28 -1.22 112.91 113.21 1djq h THR 452 Ca 0.21 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 1djq h THR 452 Cb 0.01 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1djq h THR 452 CO -0.04 0.02 0.28 0.50 0.37 0.00 0.00 175.52 176.65 1djq h LYS 453 N 0.10 0.88 0.00 6.66 3.64 -1.06 -2.79 116.57 124.00 1djq h LYS 453 Ca 0.12 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1djq h LYS 453 Cb 0.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1djq h LYS 453 CO -0.19 0.73 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.46 1djq h LEU 454 N 0.83 0.00 -1.12 5.20 3.38 -0.58 -2.78 115.31 120.25 1djq h LEU 454 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1djq h LEU 454 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1djq h LEU 454 CO -0.02 0.19 0.19 -0.07 0.09 0.00 0.00 178.44 178.82 1djq h LEU 455 N 0.00 0.75 -2.28 1.67 3.38 -0.95 -2.11 115.31 115.76 1djq h LEU 455 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1djq h LEU 455 Cb 0.56 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1djq h LEU 455 CO 0.02 0.69 -0.05 0.11 0.09 0.00 0.00 178.44 179.31 1djq h LYS 456 N 0.80 0.00 -0.01 1.13 1.57 -1.55 -2.56 116.57 115.95 1djq h LYS 456 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1djq h LYS 456 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1djq h LYS 456 CO -0.01 0.05 -0.03 1.63 -0.57 0.00 0.00 179.45 180.52 1djq n LYS 457 N -3.55 1.42 -3.18 3.15 5.02 -0.79 -4.65 118.16 115.58 1djq n LYS 457 Ca -0.02 -0.72 0.01 0.00 -2.02 0.00 0.00 58.31 55.56 1djq n LYS 457 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1djq n LYS 457 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1djq s ASN 458 N -2.07 -1.17 0.16 4.39 3.84 -0.96 -5.03 114.94 114.09 1djq s ASN 458 Ca 0.38 0.16 0.15 0.00 0.21 0.00 0.00 52.86 53.76 1djq s ASN 458 Cb 0.21 1.85 0.71 0.00 -0.55 0.00 0.00 41.25 43.47 1djq s ASN 458 CO 0.37 -0.31 1.47 0.29 -2.79 0.00 0.00 177.10 176.12 1djq n LYS 459 N 5.41 0.09 0.19 0.43 4.76 -1.26 -1.60 118.16 126.18 1djq n LYS 459 Ca 0.03 0.47 0.11 0.00 -2.87 0.00 0.00 58.31 56.05 1djq n LYS 459 Cb 0.53 -1.73 0.12 0.00 -1.84 0.00 0.00 35.03 32.11 1djq n LYS 459 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1djq h GLU 460 N 0.00 0.00 -6.97 1.97 4.39 -1.96 -3.45 114.58 108.56 1djq h GLU 460 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1djq h GLU 460 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1djq h GLU 460 CO 0.00 0.04 0.40 -1.12 -1.16 0.00 0.00 179.01 177.17 1djq s SER 461 N -6.06 6.79 0.00 1.42 0.01 -0.63 -4.74 113.70 110.50 1djq s SER 461 Ca 0.05 1.98 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 1djq s SER 461 Cb 0.06 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1djq s SER 461 CO 0.70 -0.46 0.06 -1.58 0.41 0.00 0.00 173.24 172.37 1djq s GLN 462 N -2.58 0.34 -0.25 12.44 0.74 0.73 -4.95 119.66 126.12 1djq s GLN 462 Ca 0.58 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.63 1djq s GLN 462 Cb -0.20 0.14 0.06 0.00 1.10 0.00 0.00 33.01 34.11 1djq s GLN 462 CO 0.25 -0.07 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.65 1djq s LEU 463 N -1.15 3.29 -0.44 3.68 2.96 -1.26 -1.01 118.68 124.74 1djq s LEU 463 Ca -0.13 -1.35 0.02 0.00 -0.22 0.00 0.00 54.13 52.45 1djq s LEU 463 Cb -0.07 -1.48 0.12 0.00 0.50 0.00 0.00 46.19 45.25 1djq s LEU 463 CO 0.00 -0.20 0.19 0.00 -1.32 0.00 0.00 176.35 175.02 1djq s ALA 464 N 1.15 3.15 0.39 5.97 0.00 0.06 -5.00 121.76 127.48 1djq s ALA 464 Ca -0.08 -2.87 0.08 0.00 0.00 0.00 0.00 51.96 49.08 1djq s ALA 464 Cb -0.20 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1djq s ALA 464 CO -0.05 -1.86 0.43 -0.51 0.00 0.00 0.00 175.76 173.77 1djq s LEU 465 N 0.42 3.62 -1.83 0.00 1.43 -1.26 -2.33 118.68 118.73 1djq s LEU 465 Ca 0.13 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1djq s LEU 465 Cb -0.22 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1djq s LEU 465 CO -0.04 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1djq n GLY 466 N -1.62 1.01 3.95 -3.19 0.00 0.27 -4.93 105.19 100.68 1djq n GLY 466 Ca 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1djq n GLY 466 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1djq s GLN 467 N -4.06 1.53 0.41 1.61 -1.52 -0.97 -4.96 119.66 111.69 1djq s GLN 467 Ca 0.00 -0.51 -0.16 0.00 -1.95 0.00 0.00 55.36 52.74 1djq s GLN 467 Cb 0.00 -2.09 -0.09 0.00 -0.22 0.00 0.00 33.01 30.61 1djq s GLN 467 CO 0.00 -1.71 0.85 -1.59 -0.25 0.00 0.00 175.29 172.60 1djq s LYS 468 N -5.45 4.00 0.02 2.91 -2.85 -1.26 -4.20 119.74 112.91 1djq s LYS 468 Ca 0.66 0.80 -0.35 0.00 -1.00 0.00 0.00 55.97 56.08 1djq s LYS 468 Cb -0.07 -2.29 -0.14 0.00 -2.06 0.00 0.00 37.83 33.27 1djq s LYS 468 CO 0.48 -0.03 1.61 -2.30 0.10 0.00 0.00 175.35 175.21 1djq n PRO 469 N -0.92 1.78 -2.01 1.78 -0.02 -1.26 -4.80 135.00 129.55 1djq n PRO 469 Ca 0.05 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1djq n PRO 469 Cb 0.54 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1djq n PRO 469 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1djq s MET 470 N 1.91 4.27 0.39 -0.52 -1.94 -1.26 -5.02 119.30 117.13 1djq s MET 470 Ca 0.86 2.33 0.08 0.00 -1.71 0.00 0.00 55.69 57.25 1djq s MET 470 Cb -0.80 -3.04 -0.06 0.00 2.01 0.00 0.00 34.83 32.94 1djq s MET 470 CO 0.47 -0.30 0.09 0.95 -0.01 0.00 0.00 175.02 176.21 1djq s THR 471 N -1.11 2.31 0.22 2.05 -4.23 -1.26 -5.00 115.64 108.61 1djq s THR 471 Ca 0.50 -1.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1djq s THR 471 Cb -0.42 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.63 1djq s THR 471 CO 0.56 -0.05 1.78 0.00 -0.54 0.00 0.00 174.62 176.37 1djq h ALA 472 N 1.62 0.92 -0.36 3.99 0.00 -1.95 -0.69 119.26 122.78 1djq h ALA 472 Ca -0.43 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1djq h ALA 472 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1djq h ALA 472 CO 0.72 -0.05 0.09 -0.44 0.00 0.00 0.00 179.25 179.57 1djq h ASP 473 N 0.59 0.54 -0.61 0.00 3.45 -1.99 -0.14 116.42 118.26 1djq h ASP 473 Ca 0.33 -0.23 0.08 0.00 0.43 0.00 0.00 57.03 57.64 1djq h ASP 473 Cb 0.32 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.88 1djq h ASP 473 CO -0.25 0.63 0.28 0.44 -1.57 0.00 0.00 179.24 178.77 1djq h ASP 474 N 0.43 0.35 -0.03 6.45 3.45 -1.76 -1.70 116.42 123.62 1djq h ASP 474 Ca 0.11 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1djq h ASP 474 Cb 0.29 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1djq h ASP 474 CO 0.00 0.22 0.01 0.58 -1.57 0.00 0.00 179.24 178.47 1djq h VAL 475 N 0.50 1.20 -0.81 -1.35 2.07 -0.79 -1.85 116.25 115.23 1djq h VAL 475 Ca 0.29 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.30 1djq h VAL 475 Cb 0.29 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1djq h VAL 475 CO -0.24 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 177.97 1djq h LEU 476 N -0.19 0.70 -2.12 2.57 3.38 -0.66 -2.35 115.31 116.64 1djq h LEU 476 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1djq h LEU 476 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1djq h LEU 476 CO 0.00 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1djq n GLN 477 N -4.51 2.37 0.10 1.13 6.02 -0.67 -4.43 117.38 117.39 1djq n GLN 477 Ca 0.13 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 1djq n GLN 477 Cb 0.31 -1.49 0.31 0.00 1.02 0.00 0.00 30.24 30.39 1djq n GLN 477 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1djq h TYR 478 N 3.86 0.28 0.00 1.08 5.03 -0.76 -3.47 116.97 122.98 1djq h TYR 478 Ca 0.00 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1djq h TYR 478 Cb 0.86 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.07 1djq h TYR 478 CO 0.28 0.49 0.00 0.41 -1.32 0.00 0.00 178.16 178.02 1djq n GLY 479 N -0.57 0.84 3.86 1.82 0.00 -1.26 -5.07 105.19 104.80 1djq n GLY 479 Ca -0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1djq n GLY 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq s ALA 480 N -2.00 3.34 0.08 4.61 0.00 -1.26 -4.98 121.76 121.55 1djq s ALA 480 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1djq s ALA 480 Cb 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 1djq s ALA 480 CO 0.00 0.23 1.34 -0.44 0.00 0.00 0.00 175.76 176.89 1djq h ASP 481 N 1.95 0.75 -4.56 0.00 5.19 -1.65 -3.42 116.42 114.69 1djq h ASP 481 Ca -0.48 -0.56 -0.36 0.00 -0.62 0.00 0.00 57.03 55.02 1djq h ASP 481 Cb 1.18 -0.22 -0.22 0.00 0.18 0.00 0.00 39.33 40.25 1djq h ASP 481 CO 0.65 1.17 -0.76 -0.54 -3.12 0.00 0.00 179.24 176.64 1djq s LYS 482 N -4.01 0.70 -0.02 3.56 1.02 -1.11 -0.30 119.74 119.57 1djq s LYS 482 Ca -0.12 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1djq s LYS 482 Cb 0.08 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 1djq s LYS 482 CO 0.84 0.13 -0.19 0.08 -0.92 0.00 0.00 175.35 175.29 1djq s VAL 483 N -1.24 1.51 -0.22 3.17 1.01 -0.37 -1.45 120.40 122.82 1djq s VAL 483 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1djq s VAL 483 Cb -0.10 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1djq s VAL 483 CO 0.01 0.43 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1djq s ILE 484 N -0.44 2.19 -0.32 2.22 1.01 0.49 -0.74 121.20 125.62 1djq s ILE 484 Ca 0.07 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.35 1djq s ILE 484 Cb -0.07 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1djq s ILE 484 CO -0.01 0.30 0.51 -0.63 0.00 0.00 0.00 174.94 175.12 1djq s ILE 485 N 1.23 5.03 -0.43 2.92 -1.09 0.11 -1.53 121.20 127.44 1djq s ILE 485 Ca -0.00 0.53 0.10 0.00 -2.23 0.00 0.00 60.65 59.05 1djq s ILE 485 Cb -0.16 -3.91 0.38 0.00 -1.58 0.00 0.00 42.46 37.19 1djq s ILE 485 CO -0.09 -0.11 0.89 0.00 -1.23 0.00 0.00 174.94 174.40 1djq n ALA 486 N 5.68 3.46 1.72 9.38 0.00 -0.28 -1.60 120.51 138.86 1djq n ALA 486 Ca -0.05 -3.84 0.14 0.00 0.00 0.00 0.00 53.44 49.70 1djq n ALA 486 Cb 0.49 -0.82 0.83 0.00 0.00 0.00 0.00 19.45 19.95 1djq n ALA 486 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1djq n THR 487 N -0.04 0.02 -4.14 0.00 -2.24 -1.23 -4.29 114.28 102.36 1djq n THR 487 Ca 0.26 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1djq n THR 487 Cb 0.62 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1djq n THR 487 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1djq n GLY 488 N 0.90 -1.17 3.24 3.38 0.00 -1.26 -4.73 105.19 105.55 1djq n GLY 488 Ca 0.20 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1djq n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq s ALA 489 N -1.14 0.56 0.10 4.61 0.00 -1.26 -0.42 121.76 124.21 1djq s ALA 489 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1djq s ALA 489 Cb 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1djq s ALA 489 CO 0.00 -0.57 -0.08 1.03 0.00 0.00 0.00 175.76 176.14 1djq s ARG 490 N -4.03 0.83 0.28 0.00 1.81 -0.36 -4.86 118.95 112.62 1djq s ARG 490 Ca 0.23 -1.23 -0.29 0.00 -1.72 0.00 0.00 55.73 52.72 1djq s ARG 490 Cb 0.06 -0.37 -0.09 0.00 -0.45 0.00 0.00 34.95 34.09 1djq s ARG 490 CO 0.03 0.03 1.07 -1.58 -0.68 0.00 0.00 175.30 174.17 1djq s TRP 491 N -2.96 3.65 0.41 -0.53 0.52 -1.26 -1.21 118.94 117.56 1djq s TRP 491 Ca 0.08 1.74 -0.25 0.00 0.02 0.00 0.00 56.10 57.69 1djq s TRP 491 Cb 0.01 -3.22 -0.10 0.00 -1.15 0.00 0.00 33.47 29.01 1djq s TRP 491 CO -0.02 -0.35 1.22 0.09 0.02 0.00 0.00 176.95 177.91 1djq n ASN 492 N 1.20 2.31 -0.01 2.95 3.02 0.69 -4.87 115.26 120.54 1djq n ASN 492 Ca -0.01 1.10 0.05 0.00 -0.03 0.00 0.00 54.58 55.69 1djq n ASN 492 Cb 0.45 -1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 1djq n ASN 492 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1djq n THR 493 N -0.22 0.00 -0.42 3.41 -2.24 -1.26 -4.63 114.28 108.91 1djq n THR 493 Ca 0.07 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1djq n THR 493 Cb 0.39 1.01 0.16 0.00 -2.10 0.00 0.00 70.33 69.79 1djq n THR 493 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djq n ASP 494 N -1.19 3.03 0.00 3.42 5.75 -1.26 -2.27 116.55 124.03 1djq n ASP 494 Ca 0.02 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1djq n ASP 494 Cb 0.17 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1djq n ASP 494 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1djq n GLY 495 N -0.00 1.30 3.63 6.12 0.00 -1.26 -1.07 105.19 113.91 1djq n GLY 495 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.66 1djq n GLY 495 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1djq n THR 496 N -2.00 0.03 -3.97 2.61 -1.04 -1.25 -4.22 114.28 104.43 1djq n THR 496 Ca 0.00 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1djq n THR 496 Cb 0.00 -1.17 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 1djq n THR 496 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1djq s ASN 497 N 0.67 0.05 0.57 8.00 2.20 -1.25 -3.99 114.94 121.19 1djq s ASN 497 Ca 0.81 -0.90 0.37 0.00 -0.94 0.00 0.00 52.86 52.20 1djq s ASN 497 Cb -0.82 0.43 1.69 0.00 -2.00 0.00 0.00 41.25 40.55 1djq s ASN 497 CO 0.43 -0.89 2.09 0.00 -2.94 0.00 0.00 177.10 175.78 1djq h LEU 499 N 0.00 0.27 0.00 0.00 4.07 -1.94 -3.39 115.31 114.32 1djq h LEU 499 Ca 0.00 -0.68 -0.04 0.00 0.08 0.00 0.00 57.88 57.24 1djq h LEU 499 Cb 0.33 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1djq h LEU 499 CO 0.00 0.90 -1.59 0.35 -1.08 0.00 0.00 178.44 177.02 1djq n THR 500 N -4.53 0.16 -1.35 0.22 -2.24 -1.21 -4.99 114.28 100.35 1djq n THR 500 Ca -0.09 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1djq n THR 500 Cb 0.46 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1djq n THR 500 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1djq n HIS 501 N -2.02 0.00 -4.24 4.78 8.25 0.82 -4.98 115.22 117.83 1djq n HIS 501 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1djq n HIS 501 Cb 0.43 -2.37 -0.10 0.00 1.12 0.00 0.00 29.99 29.07 1djq n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1djq s ASP 502 N -2.71 1.74 0.84 0.41 1.01 -1.26 -4.84 116.67 111.85 1djq s ASP 502 Ca 0.00 -0.99 -0.11 0.00 0.71 0.00 0.00 52.55 52.16 1djq s ASP 502 Cb 0.00 -0.01 0.10 0.00 1.01 0.00 0.00 42.92 44.02 1djq s ASP 502 CO 0.00 -0.33 1.10 -2.84 0.21 0.00 0.00 175.17 173.31 1djq s PRO 503 N -3.65 1.69 -0.20 8.23 0.02 -1.26 -3.80 135.00 136.03 1djq s PRO 503 Ca 0.15 1.15 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 1djq s PRO 503 Cb 0.02 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1djq s PRO 503 CO 0.00 -2.04 0.08 0.42 -0.33 0.00 0.00 177.00 175.13 1djq s ILE 504 N -2.85 4.81 0.02 2.83 1.01 -0.23 -4.82 121.20 121.98 1djq s ILE 504 Ca 0.63 -0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.91 1djq s ILE 504 Cb -0.19 -3.19 -0.14 0.00 0.01 0.00 0.00 42.46 38.96 1djq s ILE 504 CO 0.57 0.43 1.66 -2.65 0.00 0.00 0.00 174.94 174.95 1djq n PRO 505 N 3.81 1.92 -0.06 2.79 -0.02 -1.26 -1.19 135.00 140.99 1djq n PRO 505 Ca -0.16 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1djq n PRO 505 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1djq n PRO 505 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djq n GLY 506 N 3.69 0.70 3.69 -1.23 0.00 -1.26 -0.38 105.19 110.40 1djq n GLY 506 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1djq n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djq s ALA 507 N -2.30 3.39 -0.30 4.61 0.00 -0.34 -4.72 121.76 122.11 1djq s ALA 507 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1djq s ALA 507 Cb 0.00 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 20.11 1djq s ALA 507 CO 0.00 -0.41 0.74 0.34 0.00 0.00 0.00 175.76 176.43 1djq s ASP 508 N 1.02 -1.14 0.00 0.00 -1.08 -1.24 -4.57 116.67 109.66 1djq s ASP 508 Ca 0.42 0.49 0.13 0.00 -0.52 0.00 0.00 52.55 53.06 1djq s ASP 508 Cb -0.18 1.87 0.71 0.00 -1.46 0.00 0.00 42.92 43.86 1djq s ASP 508 CO 0.17 -0.21 1.28 0.00 0.52 0.00 0.00 175.17 176.93 1djq n ALA 509 N 5.40 1.86 0.43 3.66 0.00 -0.96 -1.82 120.51 129.07 1djq n ALA 509 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1djq n ALA 509 Cb 0.53 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 18.95 1djq n ALA 509 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1djq h SER 510 N 0.00 0.00 -4.10 0.00 4.64 -1.88 -3.43 113.55 108.79 1djq h SER 510 Ca 0.00 -0.10 -0.51 0.00 -0.47 0.00 0.00 61.79 60.71 1djq h SER 510 Cb 0.07 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.25 1djq h SER 510 CO 0.00 0.05 0.44 -0.76 -0.87 0.00 0.00 176.83 175.69 1djq s LEU 511 N -4.84 3.68 0.56 5.97 1.43 -0.76 -4.94 118.68 119.79 1djq s LEU 511 Ca 0.06 2.23 0.29 0.00 -1.03 0.00 0.00 54.13 55.68 1djq s LEU 511 Cb 0.11 -4.58 1.66 0.00 0.03 0.00 0.00 46.19 43.41 1djq s LEU 511 CO 0.71 -1.39 2.17 1.55 0.23 0.00 0.00 176.35 179.62 1djq h PRO 512 N 0.97 0.00 -0.65 1.29 0.13 -1.88 -3.03 132.00 128.84 1djq h PRO 512 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1djq h PRO 512 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1djq h PRO 512 CO 0.56 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 1djq n ASP 513 N -3.72 3.79 -4.27 1.44 5.75 -1.26 -4.90 116.55 113.38 1djq n ASP 513 Ca -0.02 -1.99 -0.26 0.00 -0.01 0.00 0.00 54.79 52.50 1djq n ASP 513 Cb 0.16 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 1djq n ASP 513 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1djq s GLN 514 N -1.07 1.48 0.05 0.11 -0.21 -1.15 -0.33 119.66 118.56 1djq s GLN 514 Ca 0.45 -0.96 -0.04 0.00 0.02 0.00 0.00 55.36 54.83 1djq s GLN 514 Cb 0.24 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.62 1djq s GLN 514 CO 0.31 0.41 0.05 -0.51 -2.12 0.00 0.00 175.29 173.43 1djq s LEU 515 N -1.14 2.09 0.40 2.90 1.02 -0.14 -4.67 118.68 119.13 1djq s LEU 515 Ca 0.08 -0.79 0.08 0.00 0.02 0.00 0.00 54.13 53.52 1djq s LEU 515 Cb -0.09 0.47 -0.03 0.00 0.02 0.00 0.00 46.19 46.55 1djq s LEU 515 CO 0.02 -0.59 0.29 0.42 0.02 0.00 0.00 176.35 176.51 1djq s THR 516 N -3.45 2.71 0.32 5.49 -4.23 -1.26 -0.49 115.64 114.72 1djq s THR 516 Ca 0.02 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1djq s THR 516 Cb 0.04 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.15 1djq s THR 516 CO -0.08 -0.04 1.92 -0.65 -0.54 0.00 0.00 174.62 175.22 1djq h PRO 517 N 1.21 0.93 -0.35 3.99 0.11 -1.94 -1.92 132.00 134.03 1djq h PRO 517 Ca -0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1djq h PRO 517 Cb 1.26 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1djq h PRO 517 CO 0.61 0.62 0.17 0.93 -0.21 0.00 0.00 178.00 180.12 1djq h GLU 518 N 0.96 0.51 -0.41 1.05 3.07 -1.95 -0.75 114.58 117.06 1djq h GLU 518 Ca 0.38 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1djq h GLU 518 Cb 0.23 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1djq h GLU 518 CO -0.14 0.47 0.12 1.96 -1.40 0.00 0.00 179.01 180.02 1djq h GLN 519 N 0.43 0.60 -0.30 2.33 4.20 -1.83 -0.60 115.11 119.95 1djq h GLN 519 Ca 0.12 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1djq h GLN 519 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1djq h GLN 519 CO -0.01 0.54 -0.11 0.28 -0.67 0.00 0.00 178.83 178.85 1djq h VAL 520 N 0.60 1.29 -0.15 -0.54 2.07 -0.94 -3.01 116.25 115.57 1djq h VAL 520 Ca 0.14 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 1djq h VAL 520 Cb 0.19 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1djq h VAL 520 CO -0.01 0.38 -0.41 0.24 0.02 0.00 0.00 177.57 177.79 1djq h MET 521 N 0.35 0.33 0.00 1.57 2.86 -0.71 -2.56 114.93 116.78 1djq h MET 521 Ca 0.07 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1djq h MET 521 Cb 0.61 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1djq h MET 521 CO 0.04 0.69 -0.13 -0.44 1.06 0.00 0.00 176.91 178.12 1djq h ASP 522 N 0.28 0.00 -1.29 1.22 3.32 -1.11 -3.47 116.42 115.37 1djq h ASP 522 Ca 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 1djq h ASP 522 Cb 0.84 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 1djq h ASP 522 CO 0.07 0.13 -0.35 0.61 -1.72 0.00 0.00 179.24 177.99 1djq n GLY 523 N -0.38 1.04 0.11 2.75 0.00 -0.96 -4.90 105.19 102.85 1djq n GLY 523 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1djq n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1djq n LYS 524 N -2.54 0.55 -1.87 1.61 4.76 -1.26 -4.95 118.16 114.47 1djq n LYS 524 Ca -0.18 0.37 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 1djq n LYS 524 Cb 0.58 -1.57 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1djq n LYS 524 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1djq s LYS 525 N -2.51 4.18 0.30 1.97 2.20 -1.26 -4.95 119.74 119.66 1djq s LYS 525 Ca -0.31 2.47 -0.29 0.00 -0.36 0.00 0.00 55.97 57.48 1djq s LYS 525 Cb 0.09 -3.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.25 1djq s LYS 525 CO 0.47 -0.56 1.29 0.21 -0.36 0.00 0.00 175.35 176.40 1djq s LYS 526 N -0.36 4.39 -0.14 4.03 2.47 -1.26 -4.96 119.74 123.90 1djq s LYS 526 Ca 0.62 2.15 0.02 0.00 -1.56 0.00 0.00 55.97 57.21 1djq s LYS 526 Cb -0.46 -3.10 0.01 0.00 -1.46 0.00 0.00 37.83 32.82 1djq s LYS 526 CO 0.45 -0.16 -0.21 0.42 0.16 0.00 0.00 175.35 176.01 1djq s ILE 527 N -0.93 2.04 1.09 5.43 1.01 -1.26 -4.97 121.20 123.61 1djq s ILE 527 Ca 0.50 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1djq s ILE 527 Cb -0.39 -1.81 0.23 0.00 0.01 0.00 0.00 42.46 40.51 1djq s ILE 527 CO 0.49 0.55 1.10 -0.83 0.00 0.00 0.00 174.94 176.25 1djq s GLY 528 N 0.89 1.57 0.04 6.18 0.00 -1.26 -5.01 107.32 109.73 1djq s GLY 528 Ca -0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1djq s GLY 528 CO -0.03 0.10 1.43 1.70 0.00 0.00 0.00 173.10 176.30 1djq h LYS 529 N -2.21 -0.64 -5.95 2.90 1.63 -1.96 -3.41 116.57 106.93 1djq h LYS 529 Ca -0.51 0.04 -0.61 0.00 -0.85 0.00 0.00 60.65 58.73 1djq h LYS 529 Cb 1.32 0.15 -0.11 0.00 -0.60 0.00 0.00 32.23 32.98 1djq h LYS 529 CO 0.48 -0.36 0.47 1.03 -3.45 0.00 0.00 179.45 177.61 1djq s ARG 530 N -5.41 3.58 -0.10 1.90 0.52 -1.26 -1.13 118.95 117.05 1djq s ARG 530 Ca -0.16 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1djq s ARG 530 Cb 0.03 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 1djq s ARG 530 CO 0.57 -1.08 -0.10 0.08 0.02 0.00 0.00 175.30 174.80 1djq s VAL 531 N 3.43 3.37 -0.12 3.52 1.01 0.34 0.02 120.40 131.98 1djq s VAL 531 Ca 0.34 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1djq s VAL 531 Cb -0.12 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1djq s VAL 531 CO 0.22 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.96 1djq s VAL 532 N -0.13 2.21 -0.30 2.92 1.01 -0.71 -1.40 120.40 124.00 1djq s VAL 532 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1djq s VAL 532 Cb -0.13 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1djq s VAL 532 CO 0.03 0.55 0.13 -0.63 0.00 0.00 0.00 175.10 175.18 1djq s ILE 533 N 0.49 4.41 -0.28 2.22 1.01 -0.08 -0.47 121.20 128.51 1djq s ILE 533 Ca -0.14 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1djq s ILE 533 Cb -0.17 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1djq s ILE 533 CO 0.05 0.08 0.63 -0.22 0.00 0.00 0.00 174.94 175.49 1djq s LEU 534 N 1.58 4.09 0.02 2.97 2.96 -0.27 -0.93 118.68 129.11 1djq s LEU 534 Ca 0.04 0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 1djq s LEU 534 Cb -0.17 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 1djq s LEU 534 CO 0.05 -0.41 -0.25 0.21 -1.32 0.00 0.00 176.35 174.62 1djq s ASN 535 N 1.54 3.21 0.00 3.68 2.47 0.27 -1.20 114.94 124.91 1djq s ASN 535 Ca 0.26 -0.52 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1djq s ASN 535 Cb -0.15 -0.35 0.05 0.00 -1.45 0.00 0.00 41.25 39.34 1djq s ASN 535 CO 0.10 0.28 0.92 0.00 -3.72 0.00 0.00 177.10 174.68 1djq n ALA 536 N 2.00 2.09 -2.53 1.71 0.00 -0.60 -1.75 120.51 121.44 1djq n ALA 536 Ca -0.17 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.04 1djq n ALA 536 Cb 0.52 -0.42 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 1djq n ALA 536 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1djq s ASP 537 N -0.91 2.91 -0.13 0.00 2.15 -1.25 -4.71 116.67 114.73 1djq s ASP 537 Ca 0.04 -0.46 0.15 0.00 0.43 0.00 0.00 52.55 52.70 1djq s ASP 537 Cb 0.04 -0.54 0.66 0.00 -0.30 0.00 0.00 42.92 42.78 1djq s ASP 537 CO -0.02 0.27 1.54 0.35 -0.17 0.00 0.00 175.17 177.14 1djq n THR 538 N 2.70 1.81 0.00 1.71 -2.24 -1.26 -4.60 114.28 112.39 1djq n THR 538 Ca -0.17 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1djq n THR 538 Cb 0.52 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1djq n THR 538 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djq n TYR 539 N 0.87 0.00 0.09 4.78 -0.00 -1.26 -1.00 117.16 120.63 1djq n TYR 539 Ca 0.23 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.20 1djq n TYR 539 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 40.19 1djq n TYR 539 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1djq h PHE 540 N 0.00 0.00 0.09 2.98 -0.00 -1.96 -3.39 116.94 114.66 1djq h PHE 540 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.99 1djq h PHE 540 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 35.90 1djq h PHE 540 CO 0.00 0.21 -0.43 1.98 -0.00 0.00 0.00 178.31 180.07 1djq h MET 541 N 0.00 -0.62 -0.17 6.09 4.05 -1.97 -1.28 114.93 121.02 1djq h MET 541 Ca -0.06 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1djq h MET 541 Cb 1.21 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1djq h MET 541 CO 0.02 -0.42 0.10 0.00 0.23 0.00 0.00 176.91 176.84 1djq h ALA 542 N -0.18 0.21 -0.85 0.39 0.00 -1.89 -1.05 119.26 115.88 1djq h ALA 542 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1djq h ALA 542 Cb 0.68 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1djq h ALA 542 CO -0.27 -0.32 0.43 -1.35 0.00 0.00 0.00 179.25 177.74 1djq h PRO 543 N 0.21 1.21 -0.46 0.00 0.11 -1.81 -1.08 132.00 130.19 1djq h PRO 543 Ca 0.06 -0.16 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 1djq h PRO 543 Cb -0.01 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1djq h PRO 543 CO -0.03 0.91 0.09 0.77 -0.21 0.00 0.00 178.00 179.54 1djq h SER 544 N 1.21 0.71 -0.24 -2.05 0.02 -1.03 -1.26 113.55 110.89 1djq h SER 544 Ca 0.30 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1djq h SER 544 Cb 0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1djq h SER 544 CO -0.04 0.77 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.20 1djq h LEU 545 N 0.61 0.66 -0.22 5.07 3.38 -1.01 -0.80 115.31 123.01 1djq h LEU 545 Ca 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1djq h LEU 545 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1djq h LEU 545 CO 0.01 0.83 0.13 0.00 0.09 0.00 0.00 178.44 179.50 1djq h ALA 546 N 1.23 0.28 -0.35 1.53 0.00 -0.97 0.08 119.26 121.06 1djq h ALA 546 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1djq h ALA 546 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1djq h ALA 546 CO 0.04 -0.22 0.19 1.49 0.00 0.00 0.00 179.25 180.75 1djq h GLU 547 N 0.27 0.49 -0.12 0.00 4.81 -0.89 0.25 114.58 119.39 1djq h GLU 547 Ca 0.08 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1djq h GLU 547 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1djq h GLU 547 CO -0.01 0.42 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.45 1djq h LYS 548 N 0.44 0.02 -0.34 1.92 3.64 -0.88 -1.94 116.57 119.44 1djq h LYS 548 Ca 0.12 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1djq h LYS 548 Cb 0.07 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1djq h LYS 548 CO -0.02 0.02 -0.35 -0.07 -2.27 0.00 0.00 179.45 176.75 1djq h LEU 549 N 0.03 0.81 -0.55 5.20 3.38 -0.82 -2.81 115.31 120.53 1djq h LEU 549 Ca 0.06 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1djq h LEU 549 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1djq h LEU 549 CO -0.11 1.08 -0.06 0.00 0.09 0.00 0.00 178.44 179.44 1djq h ALA 550 N 0.96 0.75 0.00 1.53 0.00 -0.85 -1.79 119.26 119.87 1djq h ALA 550 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1djq h ALA 550 Cb 0.90 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1djq h ALA 550 CO 0.08 0.64 -0.14 1.79 0.00 0.00 0.00 179.25 181.62 1djq h THR 551 N 0.90 0.40 -0.21 0.00 1.35 -1.35 -1.72 112.91 112.29 1djq h THR 551 Ca 0.15 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1djq h THR 551 Cb 0.62 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1djq h THR 551 CO 0.04 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 1djq n ALA 552 N -2.20 2.48 -0.25 6.62 0.00 -0.86 -4.91 120.51 121.39 1djq n ALA 552 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1djq n ALA 552 Cb 0.34 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1djq n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djq n GLY 553 N 0.88 0.75 3.85 0.00 0.00 -0.65 -5.06 105.19 104.96 1djq n GLY 553 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1djq n GLY 553 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1djq s HIS 554 N -2.58 3.42 -0.40 1.61 4.02 -0.73 -5.00 115.29 115.62 1djq s HIS 554 Ca 0.00 1.39 -0.17 0.00 1.02 0.00 0.00 55.06 57.30 1djq s HIS 554 Cb 0.00 -2.80 0.01 0.00 -1.02 0.00 0.00 32.58 28.77 1djq s HIS 554 CO 0.00 -0.74 0.44 -1.21 1.02 0.00 0.00 174.74 174.25 1djq s GLU 555 N -4.72 3.27 -0.13 1.40 2.02 -0.28 -4.40 118.70 115.87 1djq s GLU 555 Ca 0.58 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.94 1djq s GLU 555 Cb -0.12 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 1djq s GLU 555 CO 0.46 -0.76 -0.00 0.08 0.02 0.00 0.00 175.26 175.05 1djq s VAL 556 N 2.19 4.22 -0.08 2.63 1.01 -1.26 -0.50 120.40 128.61 1djq s VAL 556 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1djq s VAL 556 Cb -0.17 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1djq s VAL 556 CO 0.13 0.54 -0.11 -0.89 0.00 0.00 0.00 175.10 174.78 1djq s THR 557 N -0.18 1.08 -0.25 3.92 2.01 -0.49 -1.47 115.64 120.26 1djq s THR 557 Ca 0.05 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1djq s THR 557 Cb -0.13 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1djq s THR 557 CO 0.02 0.35 0.10 -0.63 -0.69 0.00 0.00 174.62 173.77 1djq s ILE 558 N 0.98 4.59 -0.34 1.82 1.01 0.68 -0.90 121.20 129.04 1djq s ILE 558 Ca -0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1djq s ILE 558 Cb -0.15 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1djq s ILE 558 CO -0.00 0.34 0.19 -0.69 0.00 0.00 0.00 174.94 174.77 1djq s VAL 559 N 1.48 4.72 -0.15 2.92 1.01 -0.10 0.04 120.40 130.32 1djq s VAL 559 Ca 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1djq s VAL 559 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1djq s VAL 559 CO 0.05 -0.05 -0.19 -0.55 0.00 0.00 0.00 175.10 174.36 1djq s SER 560 N 1.61 2.94 0.00 3.32 0.15 -0.68 -0.57 113.70 120.48 1djq s SER 560 Ca 0.04 -0.57 0.27 0.00 0.70 0.00 0.00 55.95 56.40 1djq s SER 560 Cb -0.18 -1.36 0.98 0.00 -1.71 0.00 0.00 66.02 63.75 1djq s SER 560 CO 0.07 0.03 1.71 0.61 1.20 0.00 0.00 173.24 176.87 1djq n GLY 561 N 4.33 -1.03 3.48 9.45 0.00 -0.72 -2.38 105.19 118.32 1djq n GLY 561 Ca -0.20 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1djq n GLY 561 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1djq s VAL 562 N -2.68 1.04 -0.29 1.61 -7.23 -1.26 -4.82 120.40 106.77 1djq s VAL 562 Ca 0.22 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 1djq s VAL 562 Cb 0.19 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1djq s VAL 562 CO 0.54 0.00 1.66 -1.00 -0.31 0.00 0.00 175.10 176.00 1djq s HIS 563 N -3.26 2.02 0.09 2.82 0.09 -1.26 -4.74 115.29 111.04 1djq s HIS 563 Ca 0.32 0.59 -0.35 0.00 -0.00 0.00 0.00 55.06 55.62 1djq s HIS 563 Cb 0.07 -4.09 -0.15 0.00 -0.00 0.00 0.00 32.58 28.41 1djq s HIS 563 CO 0.15 -2.82 1.55 -0.11 -0.00 0.00 0.00 174.74 173.50 1djq n LEU 564 N 9.26 2.65 -2.79 0.89 7.94 -1.26 -2.08 117.00 131.61 1djq n LEU 564 Ca 0.20 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 56.00 1djq n LEU 564 Cb 0.46 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1djq n LEU 564 CO 0.67 -0.51 -0.11 0.00 -1.11 0.00 0.00 177.39 176.34 1djq n ALA 565 N 3.59 -0.87 -0.14 1.96 0.00 -1.26 -4.89 120.51 118.90 1djq n ALA 565 Ca 0.18 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.72 1djq n ALA 565 Cb 0.25 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.41 1djq n ALA 565 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1djq h ASN 566 N -0.50 -0.06 0.17 0.00 -1.24 -1.06 -0.39 115.58 112.50 1djq h ASN 566 Ca -0.39 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 56.70 1djq h ASN 566 Cb 1.28 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.46 1djq h ASN 566 CO 0.46 0.00 -0.02 0.22 -1.29 0.00 0.00 177.43 176.81 1djq h TYR 567 N 0.18 0.00 0.00 0.67 5.03 -1.38 -0.60 116.97 120.87 1djq h TYR 567 Ca 0.22 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1djq h TYR 567 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1djq h TYR 567 CO -0.24 0.02 0.00 -1.33 -1.32 0.00 0.00 178.16 175.29 1djq n MET 568 N -3.35 0.09 -0.18 1.82 2.81 -0.16 -2.06 117.12 116.10 1djq n MET 568 Ca -0.02 0.28 -0.10 0.00 -1.81 0.00 0.00 57.70 56.05 1djq n MET 568 Cb 0.12 -1.66 0.01 0.00 -0.71 0.00 0.00 33.22 30.99 1djq n MET 568 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1djq h HIS 569 N 0.00 1.05 -0.00 2.03 3.86 -1.15 -1.27 115.15 119.66 1djq h HIS 569 Ca 0.00 -0.20 -0.17 0.00 -1.16 0.00 0.00 60.37 58.85 1djq h HIS 569 Cb 0.36 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1djq h HIS 569 CO 0.00 0.97 -0.78 0.74 0.86 0.00 0.00 177.93 179.73 1djq h PHE 570 N 0.82 0.09 -0.01 2.45 0.05 -1.57 -3.01 116.94 115.76 1djq h PHE 570 Ca 0.14 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1djq h PHE 570 Cb 0.58 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.52 1djq h PHE 570 CO 0.04 0.81 -0.05 0.25 -0.18 0.00 0.00 178.31 179.19 1djq n THR 571 N -3.66 0.00 -1.14 -1.55 -2.24 -1.14 -3.01 114.28 101.55 1djq n THR 571 Ca -0.02 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1djq n THR 571 Cb 0.74 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1djq n THR 571 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1djq n LEU 572 N -0.51 -0.09 0.07 3.22 4.77 -1.02 -4.78 117.00 118.67 1djq n LEU 572 Ca 0.19 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1djq n LEU 572 Cb 0.27 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1djq n LEU 572 CO 0.20 -0.50 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.09 1djq n GLU 573 N -1.84 0.52 -0.05 3.23 1.02 -0.85 -4.49 120.64 118.17 1djq n GLU 573 Ca -0.05 0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1djq n GLU 573 Cb 0.28 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1djq n GLU 573 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1djq h TYR 574 N 0.00 -0.91 -0.07 -0.32 3.20 -1.57 -1.46 116.97 115.84 1djq h TYR 574 Ca 0.00 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1djq h TYR 574 Cb 0.92 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 39.57 1djq h TYR 574 CO 0.00 -0.39 -0.33 -1.35 -1.64 0.00 0.00 178.16 174.45 1djq h PRO 575 N -0.33 -0.43 0.00 1.82 0.11 -1.87 -0.29 132.00 131.01 1djq h PRO 575 Ca 0.13 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1djq h PRO 575 Cb 0.54 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1djq h PRO 575 CO -0.44 -0.28 -0.34 -0.91 -0.21 0.00 0.00 178.00 175.82 1djq h ASN 576 N -0.44 0.00 -0.16 -2.05 2.35 -1.86 -2.03 115.58 111.39 1djq h ASN 576 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1djq h ASN 576 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1djq h ASN 576 CO -0.31 0.34 0.01 -0.03 -1.65 0.00 0.00 177.43 175.79 1djq h MET 577 N 0.00 0.27 -0.44 0.81 4.05 -0.69 0.31 114.93 119.24 1djq h MET 577 Ca -0.00 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1djq h MET 577 Cb 0.61 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1djq h MET 577 CO 0.04 0.47 0.12 0.52 0.23 0.00 0.00 176.91 178.29 1djq h MET 578 N 0.04 0.66 -0.41 0.39 2.86 -0.85 -0.21 114.93 117.40 1djq h MET 578 Ca 0.05 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1djq h MET 578 Cb 0.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1djq h MET 578 CO 0.01 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.54 1djq h ARG 579 N 0.64 0.74 -0.10 1.72 3.08 -1.07 -0.64 114.38 118.76 1djq h ARG 579 Ca 0.15 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1djq h ARG 579 Cb 0.22 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1djq h ARG 579 CO -0.01 0.84 0.06 -0.09 -1.07 0.00 0.00 179.97 179.70 1djq h ARG 580 N 0.57 0.13 -0.58 0.04 9.65 -0.24 -0.00 114.38 123.96 1djq h ARG 580 Ca 0.11 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1djq h ARG 580 Cb 0.52 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1djq h ARG 580 CO 0.03 0.12 0.24 -0.07 2.80 0.00 0.00 179.97 183.09 1djq h LEU 581 N 0.11 0.75 -0.31 3.80 3.38 -0.98 -2.10 115.31 119.96 1djq h LEU 581 Ca 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1djq h LEU 581 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1djq h LEU 581 CO -0.01 0.67 0.04 -0.74 0.09 0.00 0.00 178.44 178.49 1djq h HIS 582 N 0.82 0.56 0.00 1.13 2.76 -0.44 -1.80 115.15 118.18 1djq h HIS 582 Ca 0.20 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1djq h HIS 582 Cb 0.14 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1djq h HIS 582 CO 0.01 0.61 -0.10 1.05 -1.30 0.00 0.00 177.93 178.20 1djq h GLU 583 N 0.34 0.00 -0.05 5.26 4.11 -0.63 -1.96 114.58 121.66 1djq h GLU 583 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1djq h GLU 583 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1djq h GLU 583 CO 0.01 0.10 0.00 1.28 0.07 0.00 0.00 179.01 180.47 1djq n LEU 584 N -3.36 1.53 -3.19 3.06 4.77 -0.82 -4.94 117.00 114.05 1djq n LEU 584 Ca -0.01 -0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 1djq n LEU 584 Cb 0.28 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1djq n LEU 584 CO 0.29 0.27 0.20 1.41 -1.33 0.00 0.00 177.39 178.23 1djq n HIS 585 N 0.20 -2.49 -2.88 -1.77 8.25 -0.74 -4.96 115.22 110.84 1djq n HIS 585 Ca 0.18 0.87 -0.41 0.00 -0.26 0.00 0.00 57.72 58.10 1djq n HIS 585 Cb 0.35 -4.53 -0.04 0.00 1.12 0.00 0.00 29.99 26.89 1djq n HIS 585 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1djq s VAL 586 N -3.27 4.92 0.02 1.59 1.01 -0.72 -4.72 120.40 119.23 1djq s VAL 586 Ca 0.50 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.97 1djq s VAL 586 Cb -0.22 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 1djq s VAL 586 CO 0.62 0.12 0.62 -0.70 0.00 0.00 0.00 175.10 175.76 1djq s GLU 587 N 1.49 4.32 -0.13 2.72 2.12 -0.54 -4.77 118.70 123.92 1djq s GLU 587 Ca 0.42 0.79 0.01 0.00 0.36 0.00 0.00 54.97 56.55 1djq s GLU 587 Cb -0.18 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 1djq s GLU 587 CO 0.18 0.42 -0.16 -1.21 -0.54 0.00 0.00 175.26 173.95 1djq s GLU 588 N -0.40 3.28 -0.76 4.30 2.02 -1.26 -0.23 118.70 125.64 1djq s GLU 588 Ca 0.32 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1djq s GLU 588 Cb -0.19 -2.55 0.18 0.00 0.10 0.00 0.00 34.13 31.67 1djq s GLU 588 CO 0.19 0.18 0.58 -0.51 0.02 0.00 0.00 175.26 175.71 1djq s LEU 589 N 0.42 5.04 0.79 1.80 2.01 0.11 -4.95 118.68 123.89 1djq s LEU 589 Ca -0.12 -3.82 -0.12 0.00 0.01 0.00 0.00 54.13 50.08 1djq s LEU 589 Cb -0.16 -1.72 0.06 0.00 0.01 0.00 0.00 46.19 44.39 1djq s LEU 589 CO 0.06 -0.11 1.10 -0.83 1.01 0.00 0.00 176.35 177.58 1djq s GLY 590 N -1.08 1.62 -1.67 -3.19 0.00 -1.26 -1.68 107.32 100.05 1djq s GLY 590 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 1djq s GLY 590 CO -0.15 0.15 0.04 1.22 0.00 0.00 0.00 173.10 174.35 1djq n ASP 591 N -3.37 -5.65 -4.04 1.64 10.43 -1.00 -4.87 116.55 109.68 1djq n ASP 591 Ca 0.07 -0.01 -0.14 0.00 2.57 0.00 0.00 54.79 57.28 1djq n ASP 591 Cb 0.57 -4.71 -0.12 0.00 1.84 0.00 0.00 41.12 38.70 1djq n ASP 591 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1djq s HIS 592 N -2.99 0.65 0.34 1.24 3.76 -1.11 -0.69 115.29 116.49 1djq s HIS 592 Ca 0.02 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1djq s HIS 592 Cb -0.01 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 1djq s HIS 592 CO 0.02 -0.06 0.23 0.34 -0.85 0.00 0.00 174.74 174.43 1djq n PHE 593 N 1.82 -0.52 -4.58 1.40 7.35 -0.68 -2.09 117.46 120.16 1djq n PHE 593 Ca -0.20 -2.64 -0.33 0.00 -0.76 0.00 0.00 57.45 53.52 1djq n PHE 593 Cb 0.55 0.20 -0.13 0.00 0.35 0.00 0.00 39.48 40.46 1djq n PHE 593 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1djq n SER 595 N 3.27 0.17 -3.56 0.00 3.41 -0.14 -4.99 113.62 111.79 1djq n SER 595 Ca -0.18 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.42 1djq n SER 595 Cb 0.53 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.58 1djq n SER 595 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djq s ARG 596 N -2.91 0.63 0.05 4.33 1.70 -1.24 -4.34 118.95 117.17 1djq s ARG 596 Ca -0.08 0.01 0.07 0.00 -0.47 0.00 0.00 55.73 55.25 1djq s ARG 596 Cb 0.09 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1djq s ARG 596 CO 0.85 -0.23 -0.19 0.42 -1.08 0.00 0.00 175.30 175.07 1djq s ILE 597 N -1.74 1.55 0.24 4.99 1.01 0.48 -0.55 121.20 127.18 1djq s ILE 597 Ca 0.01 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.50 1djq s ILE 597 Cb -0.01 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1djq s ILE 597 CO -0.02 0.15 0.08 -1.61 0.00 0.00 0.00 174.94 173.54 1djq s GLU 598 N -1.20 1.33 0.09 2.79 2.02 0.30 -4.20 118.70 119.83 1djq s GLU 598 Ca 0.06 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 53.04 1djq s GLU 598 Cb -0.09 -0.23 -0.09 0.00 0.10 0.00 0.00 34.13 33.82 1djq s GLU 598 CO 0.02 -0.26 1.71 -2.14 0.02 0.00 0.00 175.26 174.60 1djq s PRO 599 N -4.02 4.18 0.00 0.39 0.02 -1.26 -2.59 135.00 131.72 1djq s PRO 599 Ca 0.35 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1djq s PRO 599 Cb 0.07 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1djq s PRO 599 CO 0.11 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1djq n GLY 600 N 4.07 0.66 3.48 0.52 0.00 -1.26 -4.97 105.19 107.69 1djq n GLY 600 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1djq n GLY 600 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1djq s ARG 601 N -0.32 1.11 0.02 1.61 1.70 -1.07 -1.56 118.95 120.44 1djq s ARG 601 Ca 0.00 -0.10 -0.03 0.00 -0.47 0.00 0.00 55.73 55.14 1djq s ARG 601 Cb 0.00 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1djq s ARG 601 CO 0.00 -0.42 0.03 0.00 -1.08 0.00 0.00 175.30 173.83 1djq s MET 602 N -2.41 0.40 -0.24 3.89 0.23 -0.49 -0.54 119.30 120.15 1djq s MET 602 Ca -0.04 -0.59 -0.12 0.00 -1.03 0.00 0.00 55.69 53.91 1djq s MET 602 Cb -0.01 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.40 1djq s MET 602 CO -0.02 -0.08 0.21 -2.00 -2.03 0.00 0.00 175.02 171.11 1djq s GLU 603 N -1.64 4.08 0.28 3.16 2.12 0.29 -1.60 118.70 125.39 1djq s GLU 603 Ca -0.14 -0.18 0.11 0.00 0.36 0.00 0.00 54.97 55.12 1djq s GLU 603 Cb -0.08 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 1djq s GLU 603 CO -0.01 0.01 -0.14 0.96 -0.54 0.00 0.00 175.26 175.54 1djq s ILE 604 N 1.20 2.70 0.05 -3.70 -4.36 0.10 -0.96 121.20 116.23 1djq s ILE 604 Ca 0.10 -2.26 -0.09 0.00 -0.26 0.00 0.00 60.65 58.14 1djq s ILE 604 Cb -0.14 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1djq s ILE 604 CO 0.06 -0.37 0.18 -0.72 0.24 0.00 0.00 174.94 174.33 1djq s TYR 605 N -2.47 0.09 0.05 1.37 1.13 -0.56 -1.24 117.35 115.71 1djq s TYR 605 Ca 0.31 -0.35 -0.30 0.00 -1.41 0.00 0.00 57.07 55.32 1djq s TYR 605 Cb -0.05 -0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1djq s TYR 605 CO 0.16 -0.44 1.06 1.21 -2.51 0.00 0.00 175.55 175.04 1djq s ASN 606 N -2.20 7.29 0.13 -0.18 3.84 -1.26 -1.69 114.94 120.87 1djq s ASN 606 Ca -0.04 1.83 0.17 0.00 0.21 0.00 0.00 52.86 55.04 1djq s ASN 606 Cb -0.00 -2.58 0.75 0.00 -0.55 0.00 0.00 41.25 38.87 1djq s ASN 606 CO -0.05 -0.30 1.54 2.30 -2.79 0.00 0.00 177.10 177.80 1djq n ILE 607 N 3.60 1.02 -1.32 -5.21 -5.35 0.14 -2.00 119.36 110.24 1djq n ILE 607 Ca 0.06 0.30 -0.06 0.00 -0.27 0.00 0.00 62.75 62.78 1djq n ILE 607 Cb 0.49 -1.16 0.21 0.00 -1.74 0.00 0.00 39.64 37.44 1djq n ILE 607 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1djq n TRP 608 N -1.85 1.54 0.70 4.28 5.03 -1.26 -4.65 117.44 121.22 1djq n TRP 608 Ca 0.02 -1.52 0.13 0.00 3.03 0.00 0.00 57.50 59.16 1djq n TRP 608 Cb 0.17 -0.57 0.38 0.00 -1.03 0.00 0.00 31.31 30.26 1djq n TRP 608 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1djq n GLY 609 N -0.98 -1.59 3.81 6.99 0.00 -0.85 -4.89 105.19 107.69 1djq n GLY 609 Ca 0.37 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1djq n GLY 609 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djq s ASP 610 N -4.14 5.25 0.52 1.61 1.11 -1.26 -4.14 116.67 115.61 1djq s ASP 610 Ca 0.10 1.69 -0.23 0.00 0.18 0.00 0.00 52.55 54.29 1djq s ASP 610 Cb 0.14 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.57 1djq s ASP 610 CO 0.62 -1.53 1.35 -0.83 1.18 0.00 0.00 175.17 175.95 1djq s GLY 611 N -3.58 2.88 0.30 0.21 0.00 -0.41 -4.92 107.32 101.80 1djq s GLY 611 Ca 0.59 1.31 0.14 0.00 0.00 0.00 0.00 44.72 46.76 1djq s GLY 611 CO 0.53 1.84 1.63 1.48 0.00 0.00 0.00 173.10 178.58 1djq h SER 612 N 1.71 0.00 -3.37 1.64 4.64 -1.94 -3.42 113.55 112.81 1djq h SER 612 Ca -0.51 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 1djq h SER 612 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 1djq h SER 612 CO 0.58 0.54 0.14 -0.54 -0.87 0.00 0.00 176.83 176.68 1djq s LYS 613 N -3.53 4.32 -0.20 4.77 1.02 -1.26 -5.05 119.74 119.81 1djq s LYS 613 Ca -0.00 0.77 -0.14 0.00 0.02 0.00 0.00 55.97 56.62 1djq s LYS 613 Cb 0.12 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1djq s LYS 613 CO 0.74 -0.12 0.30 0.50 -0.92 0.00 0.00 175.35 175.85 1djq s ARG 614 N 1.46 4.17 -0.02 1.68 3.52 -1.26 -4.39 118.95 124.11 1djq s ARG 614 Ca 0.33 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 1djq s ARG 614 Cb -0.17 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1djq s ARG 614 CO 0.13 0.06 -0.02 0.99 -0.81 0.00 0.00 175.30 175.65 1djq s THR 615 N 1.02 0.28 -0.27 4.11 2.01 -0.14 -5.04 115.64 117.61 1djq s THR 615 Ca 0.15 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1djq s THR 615 Cb -0.14 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1djq s THR 615 CO 0.06 0.13 1.48 -0.47 -0.69 0.00 0.00 174.62 175.13 1djq s TYR 616 N 0.55 2.36 -0.15 4.92 6.14 -1.26 -4.43 117.35 125.48 1djq s TYR 616 Ca -0.06 0.69 0.18 0.00 0.64 0.00 0.00 57.07 58.52 1djq s TYR 616 Cb -0.09 -3.97 0.36 0.00 0.42 0.00 0.00 41.96 38.68 1djq s TYR 616 CO -0.01 -2.37 1.23 0.54 0.64 0.00 0.00 175.55 175.58 1djq n ARG 617 N 7.55 1.84 -0.10 4.97 1.74 -1.26 -5.11 116.66 126.30 1djq n ARG 617 Ca 0.17 -2.63 0.01 0.00 -0.77 0.00 0.00 57.85 54.63 1djq n ARG 617 Cb 0.46 -1.59 -0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1djq n ARG 617 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1djq n GLY 618 N -1.11 -1.67 3.76 -0.13 0.00 -1.26 -4.69 105.19 100.08 1djq n GLY 618 Ca 0.17 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1djq n GLY 618 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1djq s PRO 619 N -1.62 2.86 0.00 1.61 0.04 -1.26 -3.39 135.00 133.25 1djq s PRO 619 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1djq s PRO 619 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1djq s PRO 619 CO 0.00 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1djq n GLY 620 N 0.01 2.91 3.45 0.56 0.00 -1.26 -4.99 105.19 105.88 1djq n GLY 620 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1djq n GLY 620 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djq s VAL 621 N -1.77 3.00 0.38 1.61 1.01 -1.22 -5.11 120.40 118.30 1djq s VAL 621 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1djq s VAL 621 Cb 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 1djq s VAL 621 CO 0.00 0.58 1.18 -0.55 0.00 0.00 0.00 175.10 176.32 1djq s SER 622 N -0.60 6.63 0.00 3.32 0.15 -1.26 -4.76 113.70 117.18 1djq s SER 622 Ca 0.09 2.39 0.09 0.00 0.70 0.00 0.00 55.95 59.22 1djq s SER 622 Cb -0.11 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.13 1djq s SER 622 CO 0.01 -0.60 1.24 -0.81 1.20 0.00 0.00 173.24 174.28 1djq n PRO 623 N 0.29 0.87 -4.22 5.44 -0.04 -1.26 -4.80 135.00 131.28 1djq n PRO 623 Ca 0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1djq n PRO 623 Cb 0.46 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1djq n PRO 623 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1djq s ARG 624 N -2.00 0.99 0.51 0.54 0.52 -1.26 -0.97 118.95 117.28 1djq s ARG 624 Ca 0.14 -1.43 -0.22 0.00 -0.52 0.00 0.00 55.73 53.70 1djq s ARG 624 Cb 0.06 -0.42 -0.06 0.00 0.52 0.00 0.00 34.95 35.05 1djq s ARG 624 CO 0.11 0.01 1.27 -0.51 0.02 0.00 0.00 175.30 176.19 1djq s ASP 625 N -3.13 5.68 0.50 0.23 1.01 -1.26 -4.77 116.67 114.94 1djq s ASP 625 Ca 0.16 2.55 -0.23 0.00 0.71 0.00 0.00 52.55 55.74 1djq s ASP 625 Cb 0.04 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 1djq s ASP 625 CO -0.01 -1.27 1.36 0.00 0.21 0.00 0.00 175.17 175.46 1djq s ALA 626 N -1.42 2.98 -0.20 5.23 0.00 -1.26 -1.29 121.76 125.80 1djq s ALA 626 Ca 0.68 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.68 1djq s ALA 626 Cb -0.35 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 1djq s ALA 626 CO 0.42 -1.23 1.26 1.21 0.00 0.00 0.00 175.76 177.41 1djq s ASN 627 N -0.84 6.88 -0.18 0.00 3.84 -1.26 -4.60 114.94 118.77 1djq s ASN 627 Ca 0.67 1.55 0.14 0.00 0.21 0.00 0.00 52.86 55.43 1djq s ASN 627 Cb -0.40 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.14 1djq s ASN 627 CO 0.49 -0.84 1.23 0.35 -2.79 0.00 0.00 177.10 175.55 1djq n THR 628 N 5.58 2.12 1.67 -5.21 -2.24 -1.26 -4.73 114.28 110.22 1djq n THR 628 Ca 0.14 -2.71 0.13 0.00 -2.27 0.00 0.00 64.05 59.33 1djq n THR 628 Cb 0.45 -0.25 0.60 0.00 -2.10 0.00 0.00 70.33 69.04 1djq n THR 628 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1djq n SER 629 N -1.21 0.84 -4.70 3.42 3.41 -1.26 -4.95 113.62 109.17 1djq n SER 629 Ca 0.19 -1.41 -0.43 0.00 -0.26 0.00 0.00 58.87 56.96 1djq n SER 629 Cb 0.72 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1djq n SER 629 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djq n HIS 630 N -0.30 2.36 -3.70 7.33 8.25 -1.25 -4.52 115.22 123.39 1djq n HIS 630 Ca 0.18 0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 57.93 1djq n HIS 630 Cb 0.22 -2.48 -0.07 0.00 1.12 0.00 0.00 29.99 28.78 1djq n HIS 630 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1djq s ARG 631 N -0.78 0.81 -0.04 -0.41 1.70 -0.37 -4.98 118.95 114.88 1djq s ARG 631 Ca 0.64 -0.23 -0.05 0.00 -0.47 0.00 0.00 55.73 55.62 1djq s ARG 631 Cb -0.59 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 1djq s ARG 631 CO 0.52 -0.25 0.19 -1.58 -1.08 0.00 0.00 175.30 173.10 1djq s TRP 632 N -1.83 3.57 0.03 5.89 0.52 -1.26 -0.72 118.94 125.14 1djq s TRP 632 Ca -0.10 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.52 1djq s TRP 632 Cb -0.03 -1.89 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1djq s TRP 632 CO 0.02 0.67 -0.12 0.96 0.02 0.00 0.00 176.95 178.50 1djq s ILE 633 N -1.23 0.94 0.38 2.03 -4.36 -0.63 -4.98 121.20 113.36 1djq s ILE 633 Ca 0.24 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.78 1djq s ILE 633 Cb -0.13 -0.85 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 1djq s ILE 633 CO 0.14 0.01 0.58 -1.61 0.24 0.00 0.00 174.94 174.30 1djq s GLU 634 N -0.96 3.30 0.06 0.37 2.02 -1.26 -1.39 118.70 120.84 1djq s GLU 634 Ca 0.01 -0.46 -0.24 0.00 0.02 0.00 0.00 54.97 54.30 1djq s GLU 634 Cb -0.07 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.57 1djq s GLU 634 CO 0.01 -0.01 0.56 -0.59 0.02 0.00 0.00 175.26 175.26 1djq s PHE 635 N -2.38 -0.49 -0.16 1.61 -0.12 -0.60 -4.94 117.98 110.90 1djq s PHE 635 Ca 0.43 0.54 -0.10 0.00 -0.05 0.00 0.00 56.93 57.75 1djq s PHE 635 Cb -0.10 0.40 -0.23 0.00 -0.63 0.00 0.00 43.02 42.46 1djq s PHE 635 CO 0.36 -0.69 0.26 -0.25 -0.05 0.00 0.00 175.22 174.85 1djq n ASP 636 N 0.29 2.04 -3.91 1.98 8.00 0.10 -4.41 116.55 120.64 1djq n ASP 636 Ca -0.18 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 1djq n ASP 636 Cb 0.61 -0.86 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 1djq n ASP 636 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1djq s SER 637 N -6.98 0.42 -0.20 -2.24 0.01 -0.82 -4.63 113.70 99.26 1djq s SER 637 Ca -0.26 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 1djq s SER 637 Cb 0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1djq s SER 637 CO 0.70 0.02 -0.06 -0.22 0.41 0.00 0.00 173.24 174.09 1djq s LEU 638 N 0.12 2.85 -0.27 2.44 2.96 0.56 -1.74 118.68 125.60 1djq s LEU 638 Ca -0.01 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1djq s LEU 638 Cb -0.04 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1djq s LEU 638 CO -0.00 0.02 0.16 -0.69 -1.32 0.00 0.00 176.35 174.52 1djq s VAL 639 N 1.26 5.13 -0.34 1.68 1.01 0.38 -0.97 120.40 128.55 1djq s VAL 639 Ca 0.03 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1djq s VAL 639 Cb -0.14 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1djq s VAL 639 CO -0.02 0.28 0.60 -0.76 0.00 0.00 0.00 175.10 175.19 1djq s LEU 640 N 1.66 4.25 -0.51 3.92 1.43 0.36 -1.12 118.68 128.67 1djq s LEU 640 Ca 0.07 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1djq s LEU 640 Cb -0.16 -2.73 0.30 0.00 0.03 0.00 0.00 46.19 43.64 1djq s LEU 640 CO 0.09 -0.53 0.76 0.52 0.23 0.00 0.00 176.35 177.42 1djq n VAL 641 N 5.49 1.39 0.39 -1.59 0.31 -0.34 -4.12 118.33 119.87 1djq n VAL 641 Ca -0.02 -4.95 0.11 0.00 -0.01 0.00 0.00 64.34 59.47 1djq n VAL 641 Cb 0.49 -1.43 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 1djq n VAL 641 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1djq n THR 642 N 0.49 0.09 0.00 2.52 -2.24 -1.26 -1.56 114.28 112.33 1djq n THR 642 Ca 0.27 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1djq n THR 642 Cb 0.49 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1djq n THR 642 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1djq n GLY 643 N 1.34 0.91 3.45 3.38 0.00 -1.26 -4.19 105.19 108.83 1djq n GLY 643 Ca -0.00 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 1djq n GLY 643 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1djq s ARG 644 N -1.88 1.61 0.02 1.61 0.52 -1.26 -0.23 118.95 119.34 1djq s ARG 644 Ca 0.00 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.43 1djq s ARG 644 Cb 0.00 -1.45 -0.01 0.00 0.52 0.00 0.00 34.95 34.01 1djq s ARG 644 CO 0.00 0.16 -0.03 -3.38 0.02 0.00 0.00 175.30 172.08 1djq s HIS 645 N -2.77 0.23 0.26 -0.53 -3.43 -0.35 -4.82 115.29 103.88 1djq s HIS 645 Ca 0.29 -0.36 -0.29 0.00 -0.80 0.00 0.00 55.06 53.90 1djq s HIS 645 Cb 0.00 -0.16 -0.09 0.00 -1.43 0.00 0.00 32.58 30.90 1djq s HIS 645 CO 0.13 -0.12 1.28 -1.12 -2.00 0.00 0.00 174.74 172.90 1djq s SER 646 N -1.00 6.91 -0.90 7.38 0.01 -1.26 -1.22 113.70 123.61 1djq s SER 646 Ca -0.10 2.49 -0.16 0.00 1.31 0.00 0.00 55.95 59.48 1djq s SER 646 Cb -0.07 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.71 1djq s SER 646 CO -0.01 -0.47 0.99 -0.70 0.41 0.00 0.00 173.24 173.46 1djq s GLU 647 N -0.94 3.64 -0.19 12.44 2.56 0.44 -4.83 118.70 131.82 1djq s GLU 647 Ca 0.52 -2.13 0.13 0.00 0.00 0.00 0.00 54.97 53.49 1djq s GLU 647 Cb -0.37 -4.71 0.43 0.00 2.00 0.00 0.00 34.13 31.48 1djq s GLU 647 CO 0.44 -1.55 1.20 0.00 -0.56 0.00 0.00 175.26 174.79 1djq h THR 649 N 2.24 1.00 -0.24 0.00 2.02 -1.97 -0.09 112.91 115.86 1djq h THR 649 Ca 0.01 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.03 1djq h THR 649 Cb 1.22 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.71 1djq h THR 649 CO 0.12 0.05 -0.17 0.25 0.37 0.00 0.00 175.52 176.14 1djq h LEU 650 N -0.19 -0.56 -0.60 2.58 6.46 -1.95 -0.93 115.31 120.13 1djq h LEU 650 Ca -0.01 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1djq h LEU 650 Cb 0.16 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1djq h LEU 650 CO 0.02 -0.21 0.29 -0.25 -0.62 0.00 0.00 178.44 177.66 1djq h TRP 651 N -0.16 0.53 -0.77 1.25 2.91 -1.87 -1.02 115.95 116.81 1djq h TRP 651 Ca 0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1djq h TRP 651 Cb 0.37 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 1djq h TRP 651 CO -0.34 0.22 0.42 -0.91 -1.03 0.00 0.00 178.44 176.81 1djq h ASN 652 N 0.54 0.95 -0.29 2.65 -0.26 0.25 -0.39 115.58 119.04 1djq h ASN 652 Ca 0.28 -0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.86 1djq h ASN 652 Cb 0.23 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1djq h ASN 652 CO -0.21 0.76 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.46 1djq h GLU 653 N 1.07 0.59 -0.94 0.81 5.08 -0.72 -0.98 114.58 119.49 1djq h GLU 653 Ca 0.27 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1djq h GLU 653 Cb 0.02 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1djq h GLU 653 CO -0.04 0.83 0.61 -0.07 -1.00 0.00 0.00 179.01 179.33 1djq h LEU 654 N 0.34 1.09 -0.57 1.33 3.38 -0.81 -0.86 115.31 119.22 1djq h LEU 654 Ca 0.06 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1djq h LEU 654 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1djq h LEU 654 CO 0.04 0.81 -0.41 0.11 0.09 0.00 0.00 178.44 179.08 1djq h LYS 655 N 1.28 0.69 -0.76 1.13 1.79 -0.93 -2.54 116.57 117.23 1djq h LYS 655 Ca 0.34 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1djq h LYS 655 Cb -0.12 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.50 1djq h LYS 655 CO -0.07 0.98 0.44 0.00 -1.08 0.00 0.00 179.45 179.71 1djq h ALA 656 N 0.98 0.97 -0.85 3.86 0.00 -0.62 -2.88 119.26 120.72 1djq h ALA 656 Ca 0.05 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 1djq h ALA 656 Cb 0.94 -0.31 -0.25 0.00 0.00 0.00 0.00 17.79 18.18 1djq h ALA 656 CO 0.09 0.46 0.72 0.54 0.00 0.00 0.00 179.25 181.06 1djq n ARG 657 N -4.47 2.38 0.22 0.00 1.74 -0.38 -4.63 116.66 111.53 1djq n ARG 657 Ca 0.07 -2.77 0.06 0.00 -0.77 0.00 0.00 57.85 54.44 1djq n ARG 657 Cb 0.07 -2.08 0.52 0.00 -1.02 0.00 0.00 32.46 29.95 1djq n ARG 657 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1djq h GLU 658 N 1.71 0.00 -0.00 5.56 4.81 -1.23 -2.18 114.58 123.25 1djq h GLU 658 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1djq h GLU 658 Cb 1.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1djq h GLU 658 CO 1.30 0.21 0.00 0.77 -0.73 0.00 0.00 179.01 180.56 1djq h SER 659 N 0.00 0.00 1.05 1.04 0.02 -1.87 -1.86 113.55 111.93 1djq h SER 659 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1djq h SER 659 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1djq h SER 659 CO 0.03 0.00 -0.37 -0.62 -1.14 0.00 0.00 176.83 174.72 1djq n GLU 660 N -3.67 0.24 0.08 3.45 1.02 -0.82 -4.30 120.64 116.65 1djq n GLU 660 Ca -0.03 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1djq n GLU 660 Cb 0.08 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.75 1djq n GLU 660 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1djq h TRP 661 N 0.00 -0.65 -0.28 -0.32 4.06 -1.45 -2.86 115.95 114.45 1djq h TRP 661 Ca 0.00 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.03 1djq h TRP 661 Cb 0.71 0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 29.09 1djq h TRP 661 CO 0.00 -0.34 -0.14 0.00 -3.56 0.00 0.00 178.44 174.40 1djq h ALA 662 N 0.40 0.08 -0.94 1.49 0.00 -1.75 -1.11 119.26 117.43 1djq h ALA 662 Ca 0.05 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1djq h ALA 662 Cb 0.46 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1djq h ALA 662 CO -0.18 -0.54 0.62 0.93 0.00 0.00 0.00 179.25 180.08 1djq h GLU 663 N -0.11 0.36 -0.64 0.00 5.08 -1.75 0.25 114.58 117.77 1djq h GLU 663 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1djq h GLU 663 Cb 0.33 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1djq h GLU 663 CO -0.35 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 177.99 1djq n ASN 664 N -4.51 4.27 -3.02 1.42 3.02 -0.54 -4.93 115.26 110.97 1djq n ASN 664 Ca 0.21 -2.47 -0.22 0.00 -0.03 0.00 0.00 54.58 52.07 1djq n ASN 664 Cb 0.76 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1djq n ASN 664 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1djq n ASP 665 N 0.82 -5.67 -4.53 6.41 10.43 0.86 -4.85 116.55 120.03 1djq n ASP 665 Ca 0.22 -0.27 -0.41 0.00 2.57 0.00 0.00 54.79 56.89 1djq n ASP 665 Cb 0.83 -4.61 -0.09 0.00 1.84 0.00 0.00 41.12 39.09 1djq n ASP 665 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1djq s ILE 666 N -3.12 5.13 0.13 0.53 1.01 -0.54 -4.60 121.20 119.74 1djq s ILE 666 Ca 0.29 -0.04 0.18 0.00 0.00 0.00 0.00 60.65 61.08 1djq s ILE 666 Cb -0.13 -3.90 0.12 0.00 0.01 0.00 0.00 42.46 38.55 1djq s ILE 666 CO 0.36 -0.21 1.68 0.11 0.00 0.00 0.00 174.94 176.88 1djq h LYS 667 N 8.54 0.00 0.00 2.79 1.57 -0.96 -3.37 116.57 125.15 1djq h LYS 667 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1djq h LYS 667 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1djq h LYS 667 CO 0.73 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 1djq n GLY 668 N 0.39 1.12 3.08 3.86 0.00 -1.24 -5.05 105.19 107.34 1djq n GLY 668 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1djq n GLY 668 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1djq s ILE 669 N -1.99 1.34 0.07 -0.61 1.01 -1.26 -1.23 121.20 118.53 1djq s ILE 669 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1djq s ILE 669 Cb 0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1djq s ILE 669 CO 0.00 0.40 -0.23 -0.31 0.00 0.00 0.00 174.94 174.80 1djq s TYR 670 N 0.43 2.01 -0.19 3.97 2.02 0.09 -4.98 117.35 120.69 1djq s TYR 670 Ca -0.12 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 1djq s TYR 670 Cb -0.15 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1djq s TYR 670 CO 0.04 0.16 0.00 -1.17 -1.57 0.00 0.00 175.55 173.01 1djq s LEU 671 N -1.44 3.31 0.24 -1.29 2.96 -1.26 0.06 118.68 121.26 1djq s LEU 671 Ca 0.09 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1djq s LEU 671 Cb -0.09 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1djq s LEU 671 CO 0.03 0.09 0.06 0.27 -1.32 0.00 0.00 176.35 175.48 1djq s ILE 672 N 0.85 0.68 0.00 6.68 -4.36 -0.63 -4.79 121.20 119.64 1djq s ILE 672 Ca 0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1djq s ILE 672 Cb -0.14 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1djq s ILE 672 CO 0.02 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1djq n GLY 673 N -0.43 1.00 0.30 6.27 0.00 -1.26 -3.32 105.19 107.74 1djq n GLY 673 Ca -0.02 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1djq n GLY 673 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1djq h ASP 674 N 8.95 0.00 0.56 1.61 3.45 -1.86 -0.62 116.42 128.51 1djq h ASP 674 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1djq h ASP 674 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1djq h ASP 674 CO 0.00 0.00 -0.19 0.00 -1.57 0.00 0.00 179.24 177.48 1djq h ALA 675 N 1.94 1.19 0.09 3.45 0.00 -1.51 -2.83 119.26 121.60 1djq h ALA 675 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1djq h ALA 675 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1djq h ALA 675 CO -0.00 0.24 -0.96 1.49 0.00 0.00 0.00 179.25 180.02 1djq h GLU 676 N 0.00 0.20 -1.60 0.00 4.81 -1.17 -3.42 114.58 113.40 1djq h GLU 676 Ca -0.00 -0.34 0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1djq h GLU 676 Cb 0.52 0.13 -0.26 0.00 0.63 0.00 0.00 28.75 29.77 1djq h GLU 676 CO 0.02 1.16 0.38 0.00 -0.73 0.00 0.00 179.01 179.85 1djq s ALA 677 N -2.41 -2.13 0.01 2.92 0.00 -1.02 -4.97 121.76 114.17 1djq s ALA 677 Ca -0.18 2.10 -0.34 0.00 0.00 0.00 0.00 51.96 53.54 1djq s ALA 677 Cb 0.02 -1.59 -0.12 0.00 0.00 0.00 0.00 23.12 21.43 1djq s ALA 677 CO 0.76 -0.31 1.79 -2.30 0.00 0.00 0.00 175.76 175.70 1djq n PRO 678 N 3.20 2.27 -4.62 0.00 -0.02 -1.17 -3.86 135.00 130.80 1djq n PRO 678 Ca -0.16 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 1djq n PRO 678 Cb 0.57 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1djq n PRO 678 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1djq s ARG 679 N 3.02 2.09 0.48 -0.52 1.81 -1.26 -5.01 118.95 119.56 1djq s ARG 679 Ca 0.87 -2.32 -0.19 0.00 -1.72 0.00 0.00 55.73 52.38 1djq s ARG 679 Cb -0.65 -0.92 -0.09 0.00 -0.45 0.00 0.00 34.95 32.84 1djq s ARG 679 CO 0.46 -0.49 0.99 -0.51 -0.68 0.00 0.00 175.30 175.07 1djq s LEU 680 N -3.74 3.78 0.30 2.53 1.43 -1.26 -4.84 118.68 116.88 1djq s LEU 680 Ca 0.14 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 55.00 1djq s LEU 680 Cb 0.01 -4.53 0.71 0.00 0.03 0.00 0.00 46.19 42.41 1djq s LEU 680 CO 0.10 -0.60 1.79 0.40 0.23 0.00 0.00 176.35 178.27 1djq h ILE 681 N 1.38 0.74 -0.73 -0.59 2.04 -1.99 0.26 117.51 118.63 1djq h ILE 681 Ca -0.48 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1djq h ILE 681 Cb 1.19 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1djq h ILE 681 CO 0.60 0.15 0.45 0.00 0.00 0.00 0.00 178.15 179.35 1djq h ALA 682 N 1.63 0.97 0.00 1.87 0.00 -1.88 -0.11 119.26 121.73 1djq h ALA 682 Ca 0.57 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 1djq h ALA 682 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1djq h ALA 682 CO -0.36 0.20 -0.83 -0.44 0.00 0.00 0.00 179.25 177.82 1djq h ASP 683 N 0.85 0.09 -0.30 0.00 3.45 -1.36 -0.98 116.42 118.17 1djq h ASP 683 Ca 0.30 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 1djq h ASP 683 Cb 0.08 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1djq h ASP 683 CO -0.14 0.88 0.13 0.00 -1.57 0.00 0.00 179.24 178.54 1djq h ALA 684 N 1.11 0.39 -0.96 3.45 0.00 -0.56 0.13 119.26 122.82 1djq h ALA 684 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1djq h ALA 684 Cb 1.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1djq h ALA 684 CO 0.12 -0.02 0.63 1.15 0.00 0.00 0.00 179.25 181.12 1djq h THR 685 N 0.34 1.21 -0.65 0.00 2.02 -0.92 -1.97 112.91 112.95 1djq h THR 685 Ca 0.10 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1djq h THR 685 Cb 0.17 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 1djq h THR 685 CO -0.01 0.23 0.23 0.15 0.37 0.00 0.00 175.52 176.49 1djq h PHE 686 N 1.26 1.01 -0.92 3.16 3.57 -0.42 -1.77 116.94 122.83 1djq h PHE 686 Ca 0.36 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1djq h PHE 686 Cb -0.08 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.31 1djq h PHE 686 CO -0.01 0.81 0.59 1.79 -2.23 0.00 0.00 178.31 179.26 1djq h THR 687 N 0.92 1.25 -0.32 4.41 1.35 -0.22 0.16 112.91 120.46 1djq h THR 687 Ca 0.21 -0.49 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1djq h THR 687 Cb 0.25 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.57 1djq h THR 687 CO -0.01 0.25 0.08 1.23 -0.25 0.00 0.00 175.52 176.81 1djq h GLY 688 N 1.27 0.55 1.01 5.82 0.00 -1.23 -1.75 103.07 108.74 1djq h GLY 688 Ca 0.34 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1djq h GLY 688 CO -0.07 0.32 0.62 0.84 0.00 0.00 0.00 176.54 178.26 1djq h HIS 689 N 0.35 1.21 -0.10 5.60 6.17 -0.63 -2.66 115.15 125.10 1djq h HIS 689 Ca 0.10 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.17 1djq h HIS 689 Cb 0.29 -0.41 -0.00 0.00 2.52 0.00 0.00 27.41 29.82 1djq h HIS 689 CO 0.01 0.77 -0.06 -0.09 0.71 0.00 0.00 177.93 179.27 1djq h ARG 690 N 1.30 0.21 -0.05 5.26 2.43 -0.33 -1.98 114.38 121.22 1djq h ARG 690 Ca 0.35 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1djq h ARG 690 Cb -0.14 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1djq h ARG 690 CO -0.07 0.58 -0.13 -0.39 -1.51 0.00 0.00 179.97 178.45 1djq h VAL 691 N -0.17 1.12 -0.09 0.20 -1.51 -1.30 0.53 116.25 115.03 1djq h VAL 691 Ca 0.02 -0.57 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 1djq h VAL 691 Cb 0.53 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1djq h VAL 691 CO 0.02 0.17 -0.01 0.00 -1.23 0.00 0.00 177.57 176.51 1djq h ALA 692 N 1.80 0.13 -0.23 5.19 0.00 -1.37 0.87 119.26 125.65 1djq h ALA 692 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1djq h ALA 692 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1djq h ALA 692 CO 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.95 1djq h ARG 693 N -0.13 0.39 -0.46 0.00 2.47 -0.92 -3.13 114.38 112.60 1djq h ARG 693 Ca 0.03 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 1djq h ARG 693 Cb 0.39 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 1djq h ARG 693 CO 0.01 0.55 0.09 0.39 0.56 0.00 0.00 179.97 181.56 1djq n GLU 694 N -4.20 2.86 0.27 0.04 1.02 0.14 -4.70 120.64 116.06 1djq n GLU 694 Ca -0.00 -3.02 0.14 0.00 -0.02 0.00 0.00 57.16 54.26 1djq n GLU 694 Cb 0.32 -1.97 0.85 0.00 -0.02 0.00 0.00 31.44 30.63 1djq n GLU 694 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1djq h ILE 695 N 1.82 0.60 -0.01 -3.67 6.09 -0.76 -1.90 117.51 119.68 1djq h ILE 695 Ca 0.17 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 1djq h ILE 695 Cb 1.83 0.96 0.00 0.00 0.47 0.00 0.00 36.82 40.09 1djq h ILE 695 CO 0.46 0.00 -0.21 -0.62 -3.07 0.00 0.00 178.15 174.71 1djq n GLU 696 N -3.97 1.27 -1.33 2.19 -0.58 -1.26 -4.83 120.64 112.12 1djq n GLU 696 Ca -0.02 -0.86 -0.29 0.00 -0.42 0.00 0.00 57.16 55.57 1djq n GLU 696 Cb 0.14 -1.48 0.14 0.00 -0.57 0.00 0.00 31.44 29.67 1djq n GLU 696 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1djq s GLU 697 N -2.32 1.08 0.26 3.49 0.41 -0.71 -4.95 118.70 115.96 1djq s GLU 697 Ca 0.27 0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 55.37 1djq s GLU 697 Cb 0.20 -1.81 0.47 0.00 -1.78 0.00 0.00 34.13 31.21 1djq s GLU 697 CO 0.46 -2.30 1.82 0.00 -0.49 0.00 0.00 175.26 174.76 1djq h ALA 698 N -1.58 1.35 -2.12 5.21 0.00 -1.93 -3.35 119.26 116.84 1djq h ALA 698 Ca -0.51 0.03 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 1djq h ALA 698 Cb 1.31 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 1djq h ALA 698 CO 0.58 0.17 -0.79 1.21 0.00 0.00 0.00 179.25 180.43 1djq s ASN 699 N -5.66 1.41 0.35 0.00 2.47 -1.26 -5.00 114.94 107.25 1djq s ASN 699 Ca -0.12 -2.15 0.19 0.00 0.42 0.00 0.00 52.86 51.20 1djq s ASN 699 Cb 0.21 0.19 1.06 0.00 -1.45 0.00 0.00 41.25 41.26 1djq s ASN 699 CO 0.80 -0.23 1.56 -0.65 -3.72 0.00 0.00 177.10 174.86 1djq h PRO 700 N 6.46 0.00 -0.21 0.43 0.11 -1.77 -2.23 132.00 134.80 1djq h PRO 700 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1djq h PRO 700 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1djq h PRO 700 CO 0.24 0.00 -0.26 0.37 -0.21 0.00 0.00 178.00 178.14 1djq h GLN 701 N 0.00 0.39 -6.00 1.05 5.75 -1.94 -3.43 115.11 110.92 1djq h GLN 701 Ca 0.00 -0.14 -0.68 0.00 -0.15 0.00 0.00 58.65 57.68 1djq h GLN 701 Cb 0.25 -0.03 -0.24 0.00 1.07 0.00 0.00 27.48 28.53 1djq h GLN 701 CO 0.00 0.62 -0.76 0.42 -2.65 0.00 0.00 178.83 176.46 1djq s ILE 702 N -4.47 3.09 0.49 2.39 -1.09 -0.84 -5.02 121.20 115.75 1djq s ILE 702 Ca -0.06 -0.69 -0.23 0.00 -2.23 0.00 0.00 60.65 57.44 1djq s ILE 702 Cb 0.14 -2.24 -0.06 0.00 -1.58 0.00 0.00 42.46 38.72 1djq s ILE 702 CO 0.78 0.57 1.26 0.00 -1.23 0.00 0.00 174.94 176.31 1djq s ALA 703 N -0.39 2.94 0.53 9.38 0.00 -1.26 -4.83 121.76 128.13 1djq s ALA 703 Ca 0.04 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1djq s ALA 703 Cb -0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1djq s ALA 703 CO 0.02 -0.97 0.91 0.96 0.00 0.00 0.00 175.76 176.68 1djq s ILE 704 N -1.42 4.75 0.64 0.00 -4.36 -1.26 -5.02 121.20 114.53 1djq s ILE 704 Ca 0.66 0.70 -0.18 0.00 -0.26 0.00 0.00 60.65 61.57 1djq s ILE 704 Cb -0.34 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.52 1djq s ILE 704 CO 0.41 -0.88 1.15 -2.65 0.24 0.00 0.00 174.94 173.22 1djq n PRO 705 N -2.16 0.99 -4.36 0.37 -0.02 -1.26 -5.04 135.00 123.51 1djq n PRO 705 Ca 0.04 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.67 1djq n PRO 705 Cb 0.54 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 1djq n PRO 705 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1djq s TYR 706 N -1.46 2.54 0.12 6.00 1.13 -1.26 -4.98 117.35 119.44 1djq s TYR 706 Ca 0.80 -0.26 -0.31 0.00 -1.41 0.00 0.00 57.07 55.89 1djq s TYR 706 Cb -0.39 -1.12 -0.09 0.00 -1.10 0.00 0.00 41.96 39.26 1djq s TYR 706 CO 0.43 0.66 1.49 0.15 -2.51 0.00 0.00 175.55 175.77 1djq s LYS 707 N -3.60 4.26 -0.15 -3.49 1.02 0.16 -5.00 119.74 112.94 1djq s LYS 707 Ca 0.31 2.21 -0.09 0.00 0.02 0.00 0.00 55.97 58.42 1djq s LYS 707 Cb -0.06 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1djq s LYS 707 CO 0.18 -0.55 0.15 1.03 -0.92 0.00 0.00 175.35 175.24 1djq s ARG 708 N 1.39 3.79 -0.96 1.68 0.52 -1.26 -4.67 118.95 119.44 1djq s ARG 708 Ca 0.68 -0.15 -0.02 0.00 -0.52 0.00 0.00 55.73 55.71 1djq s ARG 708 Cb -0.39 -3.29 0.28 0.00 0.52 0.00 0.00 34.95 32.06 1djq s ARG 708 CO 0.31 0.56 1.15 0.39 0.02 0.00 0.00 175.30 177.72 1djq n GLU 709 N 2.67 3.60 -4.44 3.54 1.02 -1.26 -5.00 120.64 120.77 1djq n GLU 709 Ca -0.18 -4.55 -0.25 0.00 -0.02 0.00 0.00 57.16 52.16 1djq n GLU 709 Cb 0.54 -2.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.38 1djq n GLU 709 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1djq s THR 710 N -2.25 1.76 0.51 2.62 2.01 -1.26 -4.86 115.64 114.18 1djq s THR 710 Ca 0.32 -1.44 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 1djq s THR 710 Cb 0.02 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1djq s THR 710 CO 0.01 0.06 1.38 0.00 -0.69 0.00 0.00 174.62 175.37 1djq n ILE 711 N 1.35 3.48 -3.59 1.82 3.06 -1.26 -4.98 119.36 119.24 1djq n ILE 711 Ca -0.18 -0.50 -0.39 0.00 -2.50 0.00 0.00 62.75 59.18 1djq n ILE 711 Cb 0.53 -1.71 -0.11 0.00 0.54 0.00 0.00 39.64 38.89 1djq n ILE 711 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1djq s ALA 712 N -1.26 3.45 0.11 1.51 0.00 -1.26 -5.05 121.76 119.27 1djq s ALA 712 Ca 0.68 -1.25 -0.35 0.00 0.00 0.00 0.00 51.96 51.04 1djq s ALA 712 Cb -0.43 -2.51 -0.14 0.00 0.00 0.00 0.00 23.12 20.04 1djq s ALA 712 CO 0.52 -0.76 1.56 1.87 0.00 0.00 0.00 175.76 178.95 1djq n TRP 713 N 5.06 2.11 0.00 0.00 -0.00 -1.26 -1.33 117.44 122.01 1djq n TRP 713 Ca -0.14 0.33 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1djq n TRP 713 Cb 0.51 -2.51 0.00 0.00 -0.00 0.00 0.00 31.31 29.31 1djq n TRP 713 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1djq n GLY 714 N 3.34 2.05 3.25 5.87 0.00 -1.26 -5.06 105.19 113.38 1djq n GLY 714 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1djq n GLY 714 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1djq s THR 715 N -2.22 3.16 0.26 2.61 2.01 -0.44 -4.91 115.64 116.10 1djq s THR 715 Ca 0.00 -0.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 1djq s THR 715 Cb 0.00 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.87 1djq s THR 715 CO 0.00 0.26 0.85 -2.16 -0.69 0.00 0.00 174.62 172.88 1djq s PRO 716 N 1.39 4.52 0.21 4.92 0.04 -1.26 -4.72 135.00 140.10 1djq s PRO 716 Ca 0.02 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 1djq s PRO 716 Cb -0.16 -2.95 0.17 0.00 0.04 0.00 0.00 34.50 31.59 1djq s PRO 716 CO -0.03 0.39 1.64 1.25 0.04 0.00 0.00 177.00 180.28 1djq h HIS 717 N 3.55 0.96 -3.09 0.56 2.76 -1.97 -3.41 115.15 114.50 1djq h HIS 717 Ca -0.47 -0.20 -0.57 0.00 -2.20 0.00 0.00 60.37 56.93 1djq h HIS 717 Cb 1.20 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 1djq h HIS 717 CO 0.62 0.95 0.76 1.41 -1.30 0.00 0.00 177.93 180.37 1djq s MET 718 N -4.73 4.30 0.05 5.26 -2.45 -1.26 -4.40 119.30 116.07 1djq s MET 718 Ca -0.10 1.46 -0.33 0.00 -1.25 0.00 0.00 55.69 55.47 1djq s MET 718 Cb 0.13 -3.63 -0.12 0.00 1.25 0.00 0.00 34.83 32.46 1djq s MET 718 CO 0.84 -0.56 1.78 -2.30 1.05 0.00 0.00 175.02 175.83 1djq n PRO 719 N 5.97 2.35 -1.04 4.11 -0.02 -1.26 -0.99 135.00 144.11 1djq n PRO 719 Ca 0.12 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.44 1djq n PRO 719 Cb 0.46 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1djq n PRO 719 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djq n GLY 720 N 4.05 0.50 3.95 -1.23 0.00 -1.26 -5.02 105.19 106.18 1djq n GLY 720 Ca 0.20 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1djq n GLY 720 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1djq s GLY 721 N -2.32 1.73 -0.27 -0.02 0.00 -0.16 -5.06 107.32 101.22 1djq s GLY 721 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.42 1djq s GLY 721 CO 0.00 -0.69 0.13 0.21 0.00 0.00 0.00 173.10 172.75 1djq s ASN 722 N -4.65 5.56 0.25 1.64 2.47 -1.26 -4.78 114.94 114.17 1djq s ASN 722 Ca 0.64 -0.19 0.25 0.00 0.42 0.00 0.00 52.86 53.99 1djq s ASN 722 Cb -0.08 -2.02 0.60 0.00 -1.45 0.00 0.00 41.25 38.30 1djq s ASN 722 CO 0.46 -0.07 1.64 2.19 -3.72 0.00 0.00 177.10 177.60 1djq h PHE 723 N 8.31 0.00 -4.30 0.43 -0.00 -1.94 -3.47 116.94 115.97 1djq h PHE 723 Ca -0.36 0.00 -0.51 0.00 -0.00 0.00 0.00 57.97 57.10 1djq h PHE 723 Cb 1.18 0.00 0.11 0.00 -0.00 0.00 0.00 35.95 37.24 1djq h PHE 723 CO 0.70 0.00 0.34 0.15 -0.00 0.00 0.00 178.31 179.50 1djq s LYS 724 N -3.15 2.56 0.07 6.09 1.02 -1.26 -4.95 119.74 120.13 1djq s LYS 724 Ca 0.09 1.14 -0.31 0.00 0.02 0.00 0.00 55.97 56.90 1djq s LYS 724 Cb 0.11 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 1djq s LYS 724 CO 0.64 -1.40 1.53 0.42 -0.92 0.00 0.00 175.35 175.61 1djq s ILE 725 N -2.86 3.19 -0.20 2.17 1.01 -1.26 -4.99 121.20 118.26 1djq s ILE 725 Ca 0.61 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.95 1djq s ILE 725 Cb -0.17 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1djq s ILE 725 CO 0.53 0.02 0.04 -1.61 0.00 0.00 0.00 174.94 173.92 1djq s GLU 726 N 2.07 0.64 0.05 2.79 2.02 -1.26 -5.13 118.70 119.87 1djq s GLU 726 Ca 0.69 -0.44 -0.20 0.00 0.02 0.00 0.00 54.97 55.04 1djq s GLU 726 Cb -0.38 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 31.69 1djq s GLU 726 CO 0.30 -0.65 0.59 0.71 0.02 0.00 0.00 175.26 176.23 1djq s TYR 727 N 1.86 3.76 -0.74 1.61 2.02 -1.26 -5.01 117.35 119.59 1djq s TYR 727 Ca -0.01 1.26 -0.23 0.00 -0.37 0.00 0.00 57.07 57.72 1djq s TYR 727 Cb -0.17 -2.56 0.06 0.00 -0.40 0.00 0.00 41.96 38.89 1djq s TYR 727 CO -0.09 0.48 1.10 0.15 -1.57 0.00 0.00 175.55 175.63 1djq s LYS 728 N -0.72 3.22 0.00 -0.62 1.02 -1.26 -5.34 119.74 116.04 1djq s LYS 728 Ca 0.30 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1djq s LYS 728 Cb -0.19 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 1djq s LYS 728 CO 0.19 -1.93 0.28 1.33 -0.92 0.00 0.00 175.35 174.30