#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajr n PRO 2 N 0.00 0.00 -1.95 0.00 -0.02 -1.26 -4.89 135.00 126.88 1ajr n PRO 2 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1ajr n PRO 2 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1ajr n PRO 2 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ajr s PRO 3 N 0.00 3.37 0.48 0.52 0.04 -1.26 -5.01 135.00 133.14 1ajr s PRO 3 Ca 0.00 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1ajr s PRO 3 Cb 0.00 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1ajr s PRO 3 CO 0.00 -0.75 1.29 0.45 0.04 0.00 0.00 177.00 178.03 1ajr s SER 4 N -3.35 5.86 0.00 6.66 0.15 -1.26 -4.88 113.70 116.88 1ajr s SER 4 Ca 0.60 2.61 0.20 0.00 0.70 0.00 0.00 55.95 60.05 1ajr s SER 4 Cb -0.13 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.46 1ajr s SER 4 CO 0.44 -1.16 1.62 1.33 1.20 0.00 0.00 173.24 176.67 1ajr n VAL 5 N -0.50 0.54 -0.04 4.45 0.24 -1.26 -2.23 118.33 119.53 1ajr n VAL 5 Ca 0.07 0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.59 1ajr n VAL 5 Cb 0.45 -0.80 0.19 0.00 -1.47 0.00 0.00 33.84 32.21 1ajr n VAL 5 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ajr n PHE 6 N -1.39 0.54 -0.35 6.34 3.72 -1.26 -4.71 117.46 120.34 1ajr n PHE 6 Ca 0.07 -0.38 0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1ajr n PHE 6 Cb 0.19 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 39.03 1ajr n PHE 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajr h ALA 7 N 3.12 1.66 -0.61 4.37 0.00 -1.82 -2.62 119.26 123.36 1ajr h ALA 7 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ajr h ALA 7 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ajr h ALA 7 CO 0.00 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1ajr n GLU 8 N -4.73 2.90 -2.30 0.00 1.02 -1.26 -4.95 120.64 111.31 1ajr n GLU 8 Ca 0.23 -2.53 -0.42 0.00 -0.02 0.00 0.00 57.16 54.41 1ajr n GLU 8 Cb 0.54 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 1ajr n GLU 8 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ajr s VAL 9 N -1.14 3.91 0.63 2.62 1.01 -0.99 -4.99 120.40 121.45 1ajr s VAL 9 Ca 0.42 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 1ajr s VAL 9 Cb 0.23 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ajr s VAL 9 CO 0.27 -0.01 1.04 -2.16 0.00 0.00 0.00 175.10 174.24 1ajr s PRO 10 N 2.47 3.35 -0.18 2.72 0.04 -1.26 -5.01 135.00 137.13 1ajr s PRO 10 Ca 0.61 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1ajr s PRO 10 Cb -0.29 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1ajr s PRO 10 CO 0.24 -0.77 1.03 -1.14 0.04 0.00 0.00 177.00 176.40 1ajr s GLN 11 N -4.74 4.32 0.54 4.56 2.00 -1.26 -5.00 119.66 120.08 1ajr s GLN 11 Ca 0.58 1.37 -0.21 0.00 -2.00 0.00 0.00 55.36 55.11 1ajr s GLN 11 Cb -0.13 -3.60 -0.05 0.00 0.80 0.00 0.00 33.01 30.03 1ajr s GLN 11 CO 0.48 -0.51 1.23 0.00 -0.50 0.00 0.00 175.29 175.99 1ajr s ALA 12 N 2.74 2.73 0.23 1.58 0.00 -1.26 -4.96 121.76 122.81 1ajr s ALA 12 Ca 0.46 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1ajr s ALA 12 Cb -0.16 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1ajr s ALA 12 CO 0.11 -1.07 1.02 -0.65 0.00 0.00 0.00 175.76 175.16 1ajr s GLN 13 N -3.05 4.72 0.60 0.00 -0.21 -1.26 -5.01 119.66 115.46 1ajr s GLN 13 Ca 0.72 1.63 -0.16 0.00 0.02 0.00 0.00 55.36 57.57 1ajr s GLN 13 Cb -0.32 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 1ajr s GLN 13 CO 0.37 0.31 1.08 -1.25 -2.12 0.00 0.00 175.29 173.68 1ajr s PRO 14 N -0.98 3.20 -0.24 2.91 0.04 -1.26 -5.02 135.00 133.65 1ajr s PRO 14 Ca 0.44 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1ajr s PRO 14 Cb -0.28 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ajr s PRO 14 CO 0.35 -0.92 0.65 0.08 0.04 0.00 0.00 177.00 177.20 1ajr s VAL 15 N -2.33 4.98 0.25 -0.36 1.01 -1.26 -4.97 120.40 117.71 1ajr s VAL 15 Ca 0.66 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 1ajr s VAL 15 Cb -0.18 -3.96 0.33 0.00 0.00 0.00 0.00 36.38 32.57 1ajr s VAL 15 CO 0.36 0.04 1.56 0.25 0.00 0.00 0.00 175.10 177.31 1ajr h LEU 16 N 8.78 -1.14 -0.99 3.92 6.46 -1.99 0.15 115.31 130.50 1ajr h LEU 16 Ca -0.27 0.29 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1ajr h LEU 16 Cb 1.12 0.66 -0.12 0.00 -0.73 0.00 0.00 40.66 41.59 1ajr h LEU 16 CO 0.78 -0.30 -0.56 0.52 -0.62 0.00 0.00 178.44 178.26 1ajr n VAL 17 N -5.54 -0.65 -0.32 1.05 0.31 -1.26 -0.77 118.33 111.14 1ajr n VAL 17 Ca 0.12 2.39 0.02 0.00 -0.01 0.00 0.00 64.34 66.86 1ajr n VAL 17 Cb 0.44 -2.97 0.17 0.00 -0.91 0.00 0.00 33.84 30.56 1ajr n VAL 17 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ajr h PHE 18 N 0.00 1.02 0.10 3.52 0.04 -1.40 -2.26 116.94 117.96 1ajr h PHE 18 Ca 0.18 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 1ajr h PHE 18 Cb 0.43 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1ajr h PHE 18 CO -1.00 0.48 -0.05 -0.22 -0.60 0.00 0.00 178.31 176.93 1ajr h LYS 19 N 0.98 -0.12 -0.23 1.51 3.64 -0.36 -2.77 116.57 119.22 1ajr h LYS 19 Ca 0.41 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1ajr h LYS 19 Cb 0.26 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1ajr h LYS 19 CO -0.20 -0.03 0.02 1.25 -2.27 0.00 0.00 179.45 178.22 1ajr h LEU 20 N -0.19 -0.04 -0.53 5.20 5.85 -0.77 0.53 115.31 125.37 1ajr h LEU 20 Ca -0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ajr h LEU 20 Cb 0.15 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1ajr h LEU 20 CO 0.02 0.01 0.32 0.40 -0.34 0.00 0.00 178.44 178.86 1ajr h ILE 21 N 0.10 1.07 -0.30 4.05 1.08 -1.45 0.49 117.51 122.55 1ajr h ILE 21 Ca 0.11 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1ajr h ILE 21 Cb 0.12 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1ajr h ILE 21 CO -0.16 0.12 0.17 0.00 -0.69 0.00 0.00 178.15 177.59 1ajr h ALA 22 N 1.22 0.39 0.03 1.87 0.00 -1.20 0.37 119.26 121.95 1ajr h ALA 22 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ajr h ALA 22 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ajr h ALA 22 CO -0.08 -0.09 -0.12 -0.44 0.00 0.00 0.00 179.25 178.52 1ajr h ASP 23 N 0.37 -0.34 -0.41 0.00 3.32 0.83 -2.51 116.42 117.69 1ajr h ASP 23 Ca 0.11 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1ajr h ASP 23 Cb 0.05 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1ajr h ASP 23 CO -0.02 -0.17 0.07 0.15 -1.72 0.00 0.00 179.24 177.55 1ajr h PHE 24 N -0.22 0.12 -0.93 4.55 3.57 0.26 -1.97 116.94 122.32 1ajr h PHE 24 Ca 0.03 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1ajr h PHE 24 Cb 0.25 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.93 1ajr h PHE 24 CO -0.16 0.00 0.60 0.00 -2.23 0.00 0.00 178.31 176.52 1ajr h ARG 25 N 0.20 0.48 0.00 1.11 3.08 0.16 -1.26 114.38 118.15 1ajr h ARG 25 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ajr h ARG 25 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ajr h ARG 25 CO -0.27 0.32 -0.38 0.93 -1.07 0.00 0.00 179.97 179.50 1ajr h GLU 26 N 0.49 0.00 -6.23 0.04 4.39 -1.09 -3.47 114.58 108.72 1ajr h GLU 26 Ca 0.49 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.63 1ajr h GLU 26 Cb 1.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ajr h GLU 26 CO -0.22 0.00 1.30 -3.47 -1.16 0.00 0.00 179.01 175.46 1ajr n ASP 27 N -2.57 3.72 -0.10 1.42 -0.08 -0.48 -4.86 116.55 113.61 1ajr n ASP 27 Ca 0.03 0.70 -0.11 0.00 -1.51 0.00 0.00 54.79 53.90 1ajr n ASP 27 Cb 0.49 -1.50 0.03 0.00 2.34 0.00 0.00 41.12 42.48 1ajr n ASP 27 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ajr h PRO 28 N 11.71 0.85 -6.11 -0.67 0.13 -1.90 -3.46 132.00 132.55 1ajr h PRO 28 Ca -0.46 -0.41 -0.74 0.00 -0.87 0.00 0.00 66.00 63.52 1ajr h PRO 28 Cb 1.25 -0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.43 1ajr h PRO 28 CO 0.95 1.05 0.20 -3.47 -0.23 0.00 0.00 178.00 176.50 1ajr n ASP 29 N -4.07 0.62 0.19 1.44 -0.08 -1.26 -4.88 116.55 108.51 1ajr n ASP 29 Ca -0.01 1.14 0.14 0.00 -1.51 0.00 0.00 54.79 54.55 1ajr n ASP 29 Cb 0.50 -1.03 0.47 0.00 2.34 0.00 0.00 41.12 43.40 1ajr n ASP 29 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ajr h PRO 30 N 3.55 0.00 -0.00 -0.67 0.13 -2.00 -3.23 132.00 129.77 1ajr h PRO 30 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ajr h PRO 30 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1ajr h PRO 30 CO 0.70 0.00 -0.83 0.54 -0.23 0.00 0.00 178.00 178.18 1ajr n ARG 31 N -2.71 0.10 -1.50 0.86 1.74 -1.26 -5.01 116.66 108.88 1ajr n ARG 31 Ca 0.03 -0.08 -0.49 0.00 -0.77 0.00 0.00 57.85 56.54 1ajr n ARG 31 Cb 0.36 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 1ajr n ARG 31 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ajr n LYS 32 N -1.38 0.59 -4.15 5.56 2.85 -1.22 -4.90 118.16 115.50 1ajr n LYS 32 Ca 0.05 0.21 -0.19 0.00 -1.05 0.00 0.00 58.31 57.33 1ajr n LYS 32 Cb 0.34 -1.48 -0.16 0.00 -0.65 0.00 0.00 35.03 33.08 1ajr n LYS 32 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ajr s VAL 33 N -0.66 0.48 -0.50 0.58 1.01 0.11 -4.99 120.40 116.43 1ajr s VAL 33 Ca 0.69 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1ajr s VAL 33 Cb -0.91 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 35.10 1ajr s VAL 33 CO 0.56 0.20 0.39 0.21 0.00 0.00 0.00 175.10 176.46 1ajr s ASN 34 N 0.68 5.83 -0.07 3.32 2.47 -1.26 0.91 114.94 126.83 1ajr s ASN 34 Ca -0.09 -1.91 0.20 0.00 0.42 0.00 0.00 52.86 51.48 1ajr s ASN 34 Cb -0.12 -2.06 0.68 0.00 -1.45 0.00 0.00 41.25 38.30 1ajr s ASN 34 CO -0.00 -0.73 1.58 0.18 -3.72 0.00 0.00 177.10 174.41 1ajr n LEU 35 N 4.96 4.39 0.01 3.21 4.77 0.13 -4.26 117.00 130.21 1ajr n LEU 35 Ca -0.09 -2.27 0.11 0.00 -0.03 0.00 0.00 56.01 53.74 1ajr n LEU 35 Cb 0.41 -0.53 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1ajr n LEU 35 CO 0.45 0.88 0.07 0.61 -1.33 0.00 0.00 177.39 178.07 1ajr n GLY 36 N 1.29 -1.17 3.53 -0.72 0.00 -0.88 -0.68 105.19 106.56 1ajr n GLY 36 Ca 0.25 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1ajr n GLY 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ajr n VAL 37 N -1.77 2.75 -1.57 1.61 3.14 -1.26 -4.94 118.33 116.29 1ajr n VAL 37 Ca 0.03 -0.47 0.07 0.00 -2.96 0.00 0.00 64.34 61.00 1ajr n VAL 37 Cb 0.39 -0.88 0.14 0.00 -1.06 0.00 0.00 33.84 32.43 1ajr n VAL 37 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ajr n GLY 38 N 1.54 4.09 3.24 7.55 0.00 -1.26 -4.62 105.19 115.74 1ajr n GLY 38 Ca 0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1ajr n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajr s ALA 39 N -2.40 0.43 0.40 4.61 0.00 -1.26 -5.15 121.76 118.39 1ajr s ALA 39 Ca 0.32 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1ajr s ALA 39 Cb 0.31 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 24.20 1ajr s ALA 39 CO -0.04 -0.57 1.20 -0.47 0.00 0.00 0.00 175.76 175.88 1ajr s TYR 40 N -4.01 3.03 -0.01 0.00 5.04 -1.26 -4.87 117.35 115.27 1ajr s TYR 40 Ca 0.21 1.52 -0.04 0.00 -2.44 0.00 0.00 57.07 56.32 1ajr s TYR 40 Cb 0.05 -3.46 -0.00 0.00 0.35 0.00 0.00 41.96 38.90 1ajr s TYR 40 CO 0.01 -1.48 0.09 1.03 -1.34 0.00 0.00 175.55 173.85 1ajr s ARG 41 N -2.24 0.31 1.00 4.97 1.81 -1.26 -4.37 118.95 119.16 1ajr s ARG 41 Ca 0.56 -0.25 -0.17 0.00 -1.72 0.00 0.00 55.73 54.16 1ajr s ARG 41 Cb -0.33 0.13 0.24 0.00 -0.45 0.00 0.00 34.95 34.54 1ajr s ARG 41 CO 0.41 -0.06 1.22 0.25 -0.68 0.00 0.00 175.30 176.44 1ajr n THR 42 N 2.07 0.00 0.48 0.02 -2.24 0.27 -4.87 114.28 110.01 1ajr n THR 42 Ca -0.19 -0.82 0.08 0.00 -2.27 0.00 0.00 64.05 60.86 1ajr n THR 42 Cb 0.57 -1.45 0.36 0.00 -2.10 0.00 0.00 70.33 67.71 1ajr n THR 42 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ajr n ASP 43 N -4.07 0.18 -1.08 3.42 2.03 -1.26 -1.42 116.55 114.35 1ajr n ASP 43 Ca 0.16 0.54 0.12 0.00 0.52 0.00 0.00 54.79 56.13 1ajr n ASP 43 Cb 0.56 -0.58 0.21 0.00 -0.72 0.00 0.00 41.12 40.59 1ajr n ASP 43 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ajr n ASP 44 N -1.70 3.25 -1.96 1.67 8.00 -1.26 -4.61 116.55 119.94 1ajr n ASP 44 Ca 0.03 -1.97 -0.14 0.00 0.71 0.00 0.00 54.79 53.42 1ajr n ASP 44 Cb 0.19 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1ajr n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajr s GLN 46 N -5.18 2.28 0.70 0.00 -1.52 -1.26 -4.83 119.66 109.85 1ajr s GLN 46 Ca 0.16 -1.11 -0.15 0.00 -1.95 0.00 0.00 55.36 52.31 1ajr s GLN 46 Cb -0.07 -2.31 0.02 0.00 -0.22 0.00 0.00 33.01 30.42 1ajr s GLN 46 CO 0.20 0.47 1.18 -2.14 -0.25 0.00 0.00 175.29 174.74 1ajr s PRO 47 N -2.72 2.41 -0.16 2.91 0.02 -1.26 -0.57 135.00 135.62 1ajr s PRO 47 Ca 0.26 1.65 -0.00 0.00 0.02 0.00 0.00 61.00 62.92 1ajr s PRO 47 Cb -0.10 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1ajr s PRO 47 CO 0.17 -1.61 -0.09 -0.46 -0.33 0.00 0.00 177.00 174.69 1ajr s TRP 48 N -2.06 1.92 -0.25 6.54 -0.00 -1.26 -4.80 118.94 119.03 1ajr s TRP 48 Ca 0.72 -1.17 -0.20 0.00 -0.00 0.00 0.00 56.10 55.45 1ajr s TRP 48 Cb -0.26 -1.43 -0.02 0.00 -0.00 0.00 0.00 33.47 31.76 1ajr s TRP 48 CO 0.43 -0.64 0.63 0.08 -0.00 0.00 0.00 176.95 177.45 1ajr s VAL 49 N 1.56 4.99 0.33 5.86 1.01 -1.26 -4.91 120.40 127.98 1ajr s VAL 49 Ca 0.02 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1ajr s VAL 49 Cb -0.15 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1ajr s VAL 49 CO -0.08 0.04 1.56 -0.76 0.00 0.00 0.00 175.10 175.85 1ajr s LEU 50 N 2.42 4.33 0.26 3.92 1.02 -1.26 -4.87 118.68 124.50 1ajr s LEU 50 Ca 0.27 3.01 -0.02 0.00 0.02 0.00 0.00 54.13 57.41 1ajr s LEU 50 Cb -0.16 -3.65 0.52 0.00 0.02 0.00 0.00 46.19 42.92 1ajr s LEU 50 CO 0.09 -0.91 1.75 -0.65 0.02 0.00 0.00 176.35 176.65 1ajr h PRO 51 N 4.05 0.54 -0.32 1.29 0.11 -1.97 0.22 132.00 135.92 1ajr h PRO 51 Ca -0.49 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1ajr h PRO 51 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1ajr h PRO 51 CO 0.73 0.36 -0.05 -0.24 -0.21 0.00 0.00 178.00 178.59 1ajr h VAL 52 N 0.56 1.21 -0.36 3.15 3.04 -1.90 -1.82 116.25 120.13 1ajr h VAL 52 Ca 0.45 -0.88 -0.05 0.00 -1.01 0.00 0.00 66.70 65.21 1ajr h VAL 52 Cb 0.66 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1ajr h VAL 52 CO -0.38 0.29 0.01 0.58 -1.01 0.00 0.00 177.57 177.07 1ajr h VAL 53 N 0.49 1.25 -0.85 1.51 2.07 -1.35 -1.03 116.25 118.35 1ajr h VAL 53 Ca 0.10 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1ajr h VAL 53 Cb 0.40 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1ajr h VAL 53 CO 0.02 0.32 0.55 0.03 0.02 0.00 0.00 177.57 178.50 1ajr h ARG 54 N 0.44 1.04 -0.10 1.57 3.08 -1.06 -0.05 114.38 119.31 1ajr h ARG 54 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ajr h ARG 54 Cb 0.44 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ajr h ARG 54 CO 0.02 0.69 0.06 -0.22 -1.07 0.00 0.00 179.97 179.44 1ajr h LYS 55 N 1.08 0.13 -0.35 0.04 3.64 -1.06 -2.07 116.57 117.98 1ajr h LYS 55 Ca 0.33 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1ajr h LYS 55 Cb -0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1ajr h LYS 55 CO -0.11 0.14 -0.28 0.28 -2.27 0.00 0.00 179.45 177.22 1ajr h VAL 56 N 0.09 1.28 -0.62 2.00 2.07 -0.91 -2.36 116.25 117.79 1ajr h VAL 56 Ca 0.03 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1ajr h VAL 56 Cb 0.05 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ajr h VAL 56 CO -0.01 0.46 0.32 -0.33 0.02 0.00 0.00 177.57 178.04 1ajr h GLU 57 N 0.62 0.86 -0.41 1.57 5.08 -0.84 0.24 114.58 121.71 1ajr h GLU 57 Ca 0.08 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1ajr h GLU 57 Cb 0.80 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ajr h GLU 57 CO 0.07 0.65 -0.30 1.96 -1.00 0.00 0.00 179.01 180.39 1ajr h GLN 58 N 0.87 0.90 -0.51 2.33 1.08 -1.10 -0.63 115.11 118.05 1ajr h GLN 58 Ca 0.22 -0.42 -0.04 0.00 -1.45 0.00 0.00 58.65 56.95 1ajr h GLN 58 Cb 0.05 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1ajr h GLN 58 CO -0.03 1.07 0.14 0.00 -0.95 0.00 0.00 178.83 179.06 1ajr h ARG 59 N 0.76 0.80 -0.08 1.46 3.08 -0.83 -2.56 114.38 117.01 1ajr h ARG 59 Ca 0.08 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ajr h ARG 59 Cb 0.87 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1ajr h ARG 59 CO 0.08 0.75 0.04 0.82 -1.07 0.00 0.00 179.97 180.60 1ajr h ILE 60 N 0.69 1.09 -0.43 2.04 2.04 -0.32 -2.66 117.51 119.97 1ajr h ILE 60 Ca 0.16 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1ajr h ILE 60 Cb 0.30 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1ajr h ILE 60 CO -0.00 0.08 0.30 0.00 0.00 0.00 0.00 178.15 178.53 1ajr h ALA 61 N 0.94 2.26 -0.23 1.87 0.00 -0.98 -1.75 119.26 121.37 1ajr h ALA 61 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ajr h ALA 61 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ajr h ALA 61 CO -0.00 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 178.96 1ajr n ASN 62 N -4.44 2.95 -4.43 0.00 3.02 -0.98 -4.79 115.26 106.60 1ajr n ASN 62 Ca 0.07 -1.92 -0.44 0.00 -0.03 0.00 0.00 54.58 52.25 1ajr n ASN 62 Cb 0.43 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1ajr n ASN 62 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ajr s ASN 63 N -1.68 6.47 0.09 6.41 3.04 -0.66 -4.86 114.94 123.76 1ajr s ASN 63 Ca 0.35 -1.79 0.11 0.00 0.04 0.00 0.00 52.86 51.57 1ajr s ASN 63 Cb 0.21 -2.37 0.53 0.00 -1.54 0.00 0.00 41.25 38.08 1ajr s ASN 63 CO 0.31 -1.10 1.36 -1.54 -3.04 0.00 0.00 177.10 173.08 1ajr n SER 64 N 6.49 0.19 0.06 -4.21 3.41 -1.26 -2.32 113.62 115.99 1ajr n SER 64 Ca 0.11 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1ajr n SER 64 Cb 0.47 -0.60 0.43 0.00 -0.26 0.00 0.00 64.21 64.24 1ajr n SER 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ajr n SER 65 N -1.74 0.56 -4.79 4.04 3.41 -1.26 -4.87 113.62 108.97 1ajr n SER 65 Ca 0.01 0.46 -0.38 0.00 -0.26 0.00 0.00 58.87 58.70 1ajr n SER 65 Cb 0.09 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 1ajr n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ajr s LEU 66 N -3.99 4.44 0.00 1.04 1.43 -0.98 -5.07 118.68 115.55 1ajr s LEU 66 Ca 0.11 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1ajr s LEU 66 Cb 0.15 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 1ajr s LEU 66 CO 0.60 0.07 0.02 -0.46 0.23 0.00 0.00 176.35 176.81 1ajr n ASN 67 N 0.99 2.54 -0.42 2.29 0.23 -1.26 -5.07 115.26 114.56 1ajr n ASN 67 Ca -0.02 -2.43 0.07 0.00 -0.53 0.00 0.00 54.58 51.67 1ajr n ASN 67 Cb 0.50 0.32 0.18 0.00 -2.08 0.00 0.00 39.78 38.70 1ajr n ASN 67 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ajr n HIS 68 N -0.77 0.23 -2.22 -2.53 8.25 -1.26 -5.04 115.22 111.88 1ajr n HIS 68 Ca -0.12 -1.17 -0.37 0.00 -0.26 0.00 0.00 57.72 55.81 1ajr n HIS 68 Cb 0.41 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ajr n HIS 68 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ajr s GLU 69 N -3.00 3.66 0.25 -0.41 0.41 -1.26 -4.93 118.70 113.42 1ajr s GLU 69 Ca 0.36 1.80 -0.29 0.00 -0.41 0.00 0.00 54.97 56.43 1ajr s GLU 69 Cb 0.32 -2.36 -0.15 0.00 -1.78 0.00 0.00 34.13 30.17 1ajr s GLU 69 CO 0.01 -0.64 0.99 0.66 -0.49 0.00 0.00 175.26 175.79 1ajr n TYR 70 N -0.61 1.04 -1.96 1.61 4.01 -1.26 -4.98 117.16 115.01 1ajr n TYR 70 Ca 0.08 0.74 -0.30 0.00 -0.16 0.00 0.00 57.90 58.26 1ajr n TYR 70 Cb 0.48 -2.22 0.04 0.00 -0.31 0.00 0.00 39.34 37.33 1ajr n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ajr s LEU 71 N 0.84 3.01 0.81 7.72 1.43 -1.26 -5.02 118.68 126.21 1ajr s LEU 71 Ca 0.63 1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 1ajr s LEU 71 Cb -0.77 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 41.55 1ajr s LEU 71 CO 0.57 -1.21 1.18 -2.65 0.23 0.00 0.00 176.35 174.47 1ajr n PRO 72 N -2.90 0.18 -0.21 1.29 -0.02 -1.26 -4.82 135.00 127.26 1ajr n PRO 72 Ca 0.06 0.14 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 1ajr n PRO 72 Cb 0.57 -2.42 0.13 0.00 -0.02 0.00 0.00 33.50 31.75 1ajr n PRO 72 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ajr h ILE 73 N -0.90 0.57 0.00 4.25 2.04 -1.96 0.05 117.51 121.57 1ajr h ILE 73 Ca -0.46 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ajr h ILE 73 Cb 1.30 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ajr h ILE 73 CO 0.46 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.83 1ajr n LEU 74 N -5.17 0.00 0.00 1.44 4.77 -1.26 -4.42 117.00 112.35 1ajr n LEU 74 Ca 0.10 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1ajr n LEU 74 Cb 0.37 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ajr n LEU 74 CO 0.14 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ajr n GLY 75 N 1.12 -2.34 3.64 -0.72 0.00 0.00 -0.83 105.19 106.06 1ajr n GLY 75 Ca 0.10 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1ajr n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajr s LEU 76 N 0.00 4.09 0.18 0.99 2.96 -1.26 -4.42 118.68 121.22 1ajr s LEU 76 Ca 0.00 2.40 -0.18 0.00 -0.22 0.00 0.00 54.13 56.13 1ajr s LEU 76 Cb 0.00 -3.52 0.12 0.00 0.50 0.00 0.00 46.19 43.28 1ajr s LEU 76 CO 0.00 -1.37 1.64 0.00 -1.32 0.00 0.00 176.35 175.30 1ajr h ALA 77 N 12.12 0.15 -0.73 5.97 0.00 -1.98 -1.49 119.26 133.31 1ajr h ALA 77 Ca -0.47 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ajr h ALA 77 Cb 1.24 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1ajr h ALA 77 CO 0.95 -0.54 0.47 0.93 0.00 0.00 0.00 179.25 181.06 1ajr h GLU 78 N -0.10 0.96 -0.03 0.00 3.07 -1.99 -1.42 114.58 115.07 1ajr h GLU 78 Ca 0.21 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1ajr h GLU 78 Cb 0.42 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1ajr h GLU 78 CO -0.50 0.65 -0.01 0.35 -1.40 0.00 0.00 179.01 178.10 1ajr h PHE 79 N 0.99 0.07 -0.49 4.33 3.57 -1.70 -1.61 116.94 122.10 1ajr h PHE 79 Ca 0.26 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1ajr h PHE 79 Cb -0.10 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1ajr h PHE 79 CO 0.00 0.41 0.25 0.00 -2.23 0.00 0.00 178.31 176.74 1ajr h ARG 80 N -0.30 0.47 0.11 1.11 3.08 -0.85 0.21 114.38 118.21 1ajr h ARG 80 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ajr h ARG 80 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ajr h ARG 80 CO 0.00 0.31 -0.05 1.15 -1.07 0.00 0.00 179.97 180.31 1ajr h THR 81 N 0.49 0.95 -0.53 2.04 2.02 -1.31 -1.93 112.91 114.63 1ajr h THR 81 Ca 0.21 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1ajr h THR 81 Cb 0.12 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1ajr h THR 81 CO -0.15 0.05 0.23 0.00 0.37 0.00 0.00 175.52 176.02 1ajr h ALA 83 N 1.07 0.57 -0.54 0.00 0.00 -0.51 -1.56 119.26 118.29 1ajr h ALA 83 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ajr h ALA 83 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ajr h ALA 83 CO -0.02 0.15 0.12 0.77 0.00 0.00 0.00 179.25 180.27 1ajr h SER 84 N 0.57 0.84 -0.43 0.00 0.02 -1.26 -2.80 113.55 110.49 1ajr h SER 84 Ca 0.15 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1ajr h SER 84 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1ajr h SER 84 CO -0.02 0.86 0.16 -0.09 -1.14 0.00 0.00 176.83 176.61 1ajr h ARG 85 N 0.77 0.70 -0.31 3.45 2.43 -1.18 -0.92 114.38 119.33 1ajr h ARG 85 Ca 0.17 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ajr h ARG 85 Cb 0.36 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1ajr h ARG 85 CO 0.00 0.61 0.18 1.25 -1.51 0.00 0.00 179.97 180.50 1ajr h LEU 86 N 0.69 0.38 -0.20 3.80 5.85 -1.03 0.20 115.31 125.00 1ajr h LEU 86 Ca 0.16 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1ajr h LEU 86 Cb 0.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1ajr h LEU 86 CO -0.01 0.34 -0.42 0.00 -0.34 0.00 0.00 178.44 178.00 1ajr h ALA 87 N 1.06 0.32 0.00 1.25 0.00 -1.26 -3.35 119.26 117.28 1ajr h ALA 87 Ca 0.11 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1ajr h ALA 87 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ajr h ALA 87 CO -0.02 0.44 -1.01 -0.07 0.00 0.00 0.00 179.25 178.59 1ajr h LEU 88 N 0.32 0.00 0.00 0.00 3.38 -1.10 -3.43 115.31 114.48 1ajr h LEU 88 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ajr h LEU 88 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ajr h LEU 88 CO 0.09 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1ajr n GLY 89 N 1.24 0.97 0.34 0.83 0.00 0.70 -4.21 105.19 105.06 1ajr n GLY 89 Ca -0.02 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.49 1ajr n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ajr h ASP 90 N 0.00 0.60 -0.35 1.61 3.32 -1.94 -1.56 116.42 118.11 1ajr h ASP 90 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ajr h ASP 90 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1ajr h ASP 90 CO 0.00 0.41 0.00 -0.90 -1.72 0.00 0.00 179.24 177.03 1ajr n ASP 91 N -4.47 2.07 -4.68 6.45 5.75 -1.26 -4.90 116.55 115.51 1ajr n ASP 91 Ca 0.08 -1.93 -0.44 0.00 -0.01 0.00 0.00 54.79 52.48 1ajr n ASP 91 Cb 0.17 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1ajr n ASP 91 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ajr n SER 92 N 0.61 2.82 -0.29 -1.12 2.88 -0.59 -4.87 113.62 113.06 1ajr n SER 92 Ca 0.14 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.80 1ajr n SER 92 Cb 0.34 -1.45 0.12 0.00 -0.75 0.00 0.00 64.21 62.47 1ajr n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ajr h PRO 93 N 4.04 1.17 -0.82 -1.46 0.13 -1.91 -2.30 132.00 130.85 1ajr h PRO 93 Ca -0.45 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1ajr h PRO 93 Cb 1.27 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1ajr h PRO 93 CO 0.74 0.88 0.54 0.00 -0.23 0.00 0.00 178.00 179.92 1ajr h ALA 94 N 1.30 1.57 -0.18 -0.56 0.00 -1.94 0.48 119.26 119.93 1ajr h ALA 94 Ca 0.29 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ajr h ALA 94 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ajr h ALA 94 CO -0.04 0.32 -0.32 -0.07 0.00 0.00 0.00 179.25 179.14 1ajr h LEU 95 N 0.93 0.58 -0.89 0.00 3.38 -1.85 0.14 115.31 117.60 1ajr h LEU 95 Ca 0.34 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1ajr h LEU 95 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ajr h LEU 95 CO -0.12 1.01 0.24 1.56 0.09 0.00 0.00 178.44 181.22 1ajr h GLN 96 N 0.18 1.05 -0.12 1.13 4.20 -0.74 -1.30 115.11 119.50 1ajr h GLN 96 Ca 0.01 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ajr h GLN 96 Cb 0.91 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1ajr h GLN 96 CO 0.07 0.88 0.00 0.39 -0.67 0.00 0.00 178.83 179.50 1ajr n GLU 97 N -4.27 1.37 -4.07 1.46 1.02 0.16 -4.92 120.64 111.38 1ajr n GLU 97 Ca 0.06 -0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 56.31 1ajr n GLU 97 Cb 0.21 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1ajr n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ajr n LYS 98 N -0.13 -4.24 -1.54 3.49 4.76 -0.49 -4.61 118.16 115.38 1ajr n LYS 98 Ca 0.10 0.48 -0.20 0.00 -2.87 0.00 0.00 58.31 55.81 1ajr n LYS 98 Cb 0.16 -5.25 0.08 0.00 -1.84 0.00 0.00 35.03 28.18 1ajr n LYS 98 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1ajr n ARG 99 N -4.52 2.93 -4.80 1.97 1.85 0.39 -4.37 116.66 110.12 1ajr n ARG 99 Ca 0.04 -3.74 -0.25 0.00 -1.00 0.00 0.00 57.85 52.90 1ajr n ARG 99 Cb 0.52 -2.14 -0.15 0.00 -1.05 0.00 0.00 32.46 29.63 1ajr n ARG 99 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ajr s VAL 100 N -4.28 1.33 0.08 8.89 1.01 -1.25 -1.21 120.40 124.97 1ajr s VAL 100 Ca 0.52 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1ajr s VAL 100 Cb 0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1ajr s VAL 100 CO 0.01 0.38 -0.11 -0.83 0.00 0.00 0.00 175.10 174.56 1ajr s GLY 101 N -0.29 0.78 -0.00 4.51 0.00 -0.43 -4.99 107.32 106.91 1ajr s GLY 101 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1ajr s GLY 101 CO -0.00 -1.11 -0.03 -0.32 0.00 0.00 0.00 173.10 171.63 1ajr s GLY 102 N -2.09 0.17 -0.21 0.20 0.00 -1.26 -0.16 107.32 103.96 1ajr s GLY 102 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.58 1ajr s GLY 102 CO 0.01 -0.14 -0.15 0.14 0.00 0.00 0.00 173.10 172.95 1ajr s VAL 103 N -0.13 2.06 0.24 1.40 1.01 -0.06 -4.94 120.40 119.98 1ajr s VAL 103 Ca 0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 1ajr s VAL 103 Cb -0.02 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 34.24 1ajr s VAL 103 CO -0.00 0.27 1.55 -1.58 0.00 0.00 0.00 175.10 175.34 1ajr s GLN 104 N 1.22 4.19 0.31 2.72 0.74 -0.01 -0.36 119.66 128.47 1ajr s GLN 104 Ca -0.01 2.44 0.04 0.00 0.05 0.00 0.00 55.36 57.88 1ajr s GLN 104 Cb -0.16 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 1ajr s GLN 104 CO -0.09 -0.57 0.20 -1.54 -0.55 0.00 0.00 175.29 172.73 1ajr s SER 105 N 0.69 1.51 -1.17 6.67 1.04 -0.04 -4.77 113.70 117.64 1ajr s SER 105 Ca 0.65 -1.62 -0.19 0.00 0.48 0.00 0.00 55.95 55.27 1ajr s SER 105 Cb -0.45 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.22 1ajr s SER 105 CO 0.41 -0.95 1.54 -0.76 0.98 0.00 0.00 173.24 174.45 1ajr s LEU 106 N -3.37 4.12 0.00 2.42 2.01 -1.26 -1.91 118.68 120.70 1ajr s LEU 106 Ca 0.37 -2.25 0.00 0.00 0.01 0.00 0.00 54.13 52.26 1ajr s LEU 106 Cb 0.04 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.72 1ajr s LEU 106 CO 0.20 -1.16 0.00 0.61 1.01 0.00 0.00 176.35 177.01 1ajr n GLY 107 N 5.55 -1.57 0.25 -3.19 0.00 -1.04 -0.59 105.19 104.60 1ajr n GLY 107 Ca 0.40 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.21 1ajr n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ajr h GLY 108 N -0.23 0.47 1.00 -0.02 0.00 -1.77 -2.53 103.07 99.99 1ajr h GLY 108 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ajr h GLY 108 CO 0.00 0.28 0.17 -0.84 0.00 0.00 0.00 176.54 176.15 1ajr h THR 109 N 0.41 1.07 -0.91 4.70 2.02 -1.93 -1.64 112.91 116.64 1ajr h THR 109 Ca 0.08 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ajr h THR 109 Cb 0.42 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1ajr h THR 109 CO 0.02 0.07 0.51 1.23 0.37 0.00 0.00 175.52 177.72 1ajr h GLY 110 N 0.36 1.34 0.97 2.16 0.00 -0.68 -0.69 103.07 106.53 1ajr h GLY 110 Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1ajr h GLY 110 CO -0.02 0.57 0.23 0.00 0.00 0.00 0.00 176.54 177.32 1ajr h ALA 111 N 1.28 0.63 -0.50 3.60 0.00 -1.11 -1.35 119.26 121.81 1ajr h ALA 111 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ajr h ALA 111 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ajr h ALA 111 CO -0.05 0.20 0.31 -0.07 0.00 0.00 0.00 179.25 179.64 1ajr h LEU 112 N 0.65 0.60 -0.01 0.00 3.38 -1.00 -2.05 115.31 116.88 1ajr h LEU 112 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ajr h LEU 112 Cb 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ajr h LEU 112 CO -0.02 0.47 0.00 -0.09 0.09 0.00 0.00 178.44 178.90 1ajr h ARG 113 N 0.67 0.01 -0.73 1.13 9.65 -0.85 -0.25 114.38 124.02 1ajr h ARG 113 Ca 0.18 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1ajr h ARG 113 Cb -0.02 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1ajr h ARG 113 CO -0.03 0.03 0.42 0.82 2.80 0.00 0.00 179.97 184.01 1ajr h ILE 114 N -0.02 1.21 -0.27 1.20 1.08 -1.18 -1.38 117.51 118.16 1ajr h ILE 114 Ca 0.00 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1ajr h ILE 114 Cb 0.02 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1ajr h ILE 114 CO -0.00 0.23 0.14 1.23 -0.69 0.00 0.00 178.15 179.06 1ajr h GLY 115 N 1.00 0.40 0.97 5.37 0.00 -1.20 -1.05 103.07 108.56 1ajr h GLY 115 Ca 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1ajr h GLY 115 CO -0.05 0.18 0.22 0.00 0.00 0.00 0.00 176.54 176.90 1ajr h ALA 116 N 1.01 0.60 -0.77 3.60 0.00 -0.88 -1.46 119.26 121.37 1ajr h ALA 116 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ajr h ALA 116 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ajr h ALA 116 CO -0.01 0.16 0.31 0.93 0.00 0.00 0.00 179.25 180.64 1ajr h GLU 117 N 0.61 1.15 0.11 0.00 4.39 -1.14 -1.14 114.58 118.55 1ajr h GLU 117 Ca 0.16 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ajr h GLU 117 Cb 0.12 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ajr h GLU 117 CO -0.02 0.93 -0.05 0.35 -1.16 0.00 0.00 179.01 179.06 1ajr h PHE 118 N 1.11 -0.13 -0.93 4.33 3.04 -0.92 -2.87 116.94 120.57 1ajr h PHE 118 Ca 0.26 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.21 1ajr h PHE 118 Cb 0.21 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1ajr h PHE 118 CO 0.02 -0.02 0.62 -0.07 -2.02 0.00 0.00 178.31 176.83 1ajr h LEU 119 N -0.21 1.06 -2.02 0.59 3.38 -1.02 0.17 115.31 117.26 1ajr h LEU 119 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ajr h LEU 119 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ajr h LEU 119 CO 0.02 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1ajr h ALA 120 N 1.42 1.00 0.00 1.53 0.00 -1.10 -2.37 119.26 119.74 1ajr h ALA 120 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.90 1ajr h ALA 120 Cb -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1ajr h ALA 120 CO -0.07 0.00 -2.32 0.54 0.00 0.00 0.00 179.25 177.39 1ajr n ARG 121 N -2.94 0.62 0.00 0.00 1.74 -0.70 -3.10 116.66 112.28 1ajr n ARG 121 Ca -0.01 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1ajr n ARG 121 Cb 0.18 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1ajr n ARG 121 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1ajr n TRP 122 N -3.14 0.00 -4.28 -1.55 7.02 -0.04 -1.05 117.44 114.40 1ajr n TRP 122 Ca -0.40 -0.12 -0.35 0.00 -1.02 0.00 0.00 57.50 55.61 1ajr n TRP 122 Cb 0.95 -0.01 -0.10 0.00 -2.42 0.00 0.00 31.31 29.73 1ajr n TRP 122 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1ajr s TYR 123 N -0.24 3.17 -1.32 -5.99 5.04 -0.89 -4.51 117.35 112.60 1ajr s TYR 123 Ca 0.00 0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 1ajr s TYR 123 Cb 0.00 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.43 1ajr s TYR 123 CO 0.00 0.31 1.05 -1.71 -1.34 0.00 0.00 175.55 173.86 1ajr n ASN 124 N 2.71 -4.22 0.00 4.32 4.05 -1.26 -4.57 115.26 116.28 1ajr n ASN 124 Ca -0.18 -0.63 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1ajr n ASN 124 Cb 0.53 -4.82 0.00 0.00 1.23 0.00 0.00 39.78 36.72 1ajr n ASN 124 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ajr n GLY 125 N -1.64 -1.11 3.53 8.20 0.00 -1.26 -4.77 105.19 108.13 1ajr n GLY 125 Ca -0.12 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1ajr n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ajr s THR 126 N -0.25 3.90 -1.40 2.61 -4.23 -1.26 -4.17 115.64 110.85 1ajr s THR 126 Ca 0.00 -0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1ajr s THR 126 Cb 0.00 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1ajr s THR 126 CO 0.00 0.52 0.83 0.59 -0.54 0.00 0.00 174.62 176.02 1ajr n ASN 127 N 3.22 -2.79 -4.42 3.99 3.02 -0.21 -4.92 115.26 113.14 1ajr n ASN 127 Ca -0.18 -0.79 -0.44 0.00 -0.03 0.00 0.00 54.58 53.14 1ajr n ASN 127 Cb 0.53 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 1ajr n ASN 127 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ajr s ASN 128 N -3.92 6.21 0.00 6.41 3.84 -1.18 -4.85 114.94 121.45 1ajr s ASN 128 Ca 0.28 -1.07 0.25 0.00 0.21 0.00 0.00 52.86 52.54 1ajr s ASN 128 Cb -0.14 -2.29 0.58 0.00 -0.55 0.00 0.00 41.25 38.84 1ajr s ASN 128 CO 0.81 -0.96 1.48 0.29 -2.79 0.00 0.00 177.10 175.93 1ajr n LYS 129 N 6.23 2.05 0.02 0.43 4.76 -1.26 -4.14 118.16 126.25 1ajr n LYS 129 Ca -0.07 -1.54 0.12 0.00 -2.87 0.00 0.00 58.31 53.95 1ajr n LYS 129 Cb 0.44 -1.47 0.14 0.00 -1.84 0.00 0.00 35.03 32.31 1ajr n LYS 129 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ajr n ASP 130 N 0.84 0.61 -4.71 4.39 8.00 -1.26 -1.78 116.55 122.65 1ajr n ASP 130 Ca 0.17 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 1ajr n ASP 130 Cb 0.49 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 1ajr n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ajr s THR 131 N -3.08 2.22 0.40 -3.53 2.01 -1.26 -4.74 115.64 107.66 1ajr s THR 131 Ca 0.08 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 1ajr s THR 131 Cb 0.16 -3.01 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 1ajr s THR 131 CO 0.74 0.00 1.33 -2.84 -0.69 0.00 0.00 174.62 173.17 1ajr s PRO 132 N 1.86 4.01 -0.16 4.92 0.02 -1.26 -4.68 135.00 139.70 1ajr s PRO 132 Ca 0.78 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 64.02 1ajr s PRO 132 Cb -0.48 -2.81 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 1ajr s PRO 132 CO 0.34 -0.49 -0.13 0.08 -0.33 0.00 0.00 177.00 176.47 1ajr s VAL 133 N -1.23 2.82 -0.14 3.83 1.01 -0.41 -1.07 120.40 125.21 1ajr s VAL 133 Ca 0.56 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1ajr s VAL 133 Cb -0.40 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1ajr s VAL 133 CO 0.51 0.50 -0.05 -0.31 0.00 0.00 0.00 175.10 175.76 1ajr s TYR 134 N 0.85 2.99 0.17 5.22 1.51 0.14 0.64 117.35 128.86 1ajr s TYR 134 Ca -0.04 -0.32 0.10 0.00 -1.01 0.00 0.00 57.07 55.80 1ajr s TYR 134 Cb -0.15 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1ajr s TYR 134 CO -0.00 -0.02 -0.21 0.14 -1.11 0.00 0.00 175.55 174.34 1ajr s VAL 135 N 0.25 2.06 0.77 0.71 -7.23 0.02 -0.43 120.40 116.55 1ajr s VAL 135 Ca -0.04 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1ajr s VAL 135 Cb -0.14 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1ajr s VAL 135 CO 0.03 -0.19 1.10 -0.94 -0.31 0.00 0.00 175.10 174.79 1ajr s SER 136 N -2.57 4.46 -0.41 4.85 1.04 -1.26 -0.97 113.70 118.84 1ajr s SER 136 Ca 0.17 1.88 -0.02 0.00 0.48 0.00 0.00 55.95 58.46 1ajr s SER 136 Cb -0.07 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.63 1ajr s SER 136 CO 0.08 -2.07 0.20 -0.55 0.98 0.00 0.00 173.24 171.88 1ajr s SER 137 N -3.22 5.19 0.71 7.02 0.15 -0.70 -2.92 113.70 119.93 1ajr s SER 137 Ca 0.62 -2.09 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1ajr s SER 137 Cb -0.18 -1.81 0.13 0.00 -1.71 0.00 0.00 66.02 62.46 1ajr s SER 137 CO 0.54 -0.52 0.93 -0.81 1.20 0.00 0.00 173.24 174.59 1ajr n PRO 138 N 4.50 -0.04 -4.07 5.44 -0.04 -1.26 -2.22 135.00 137.31 1ajr n PRO 138 Ca -0.01 -2.57 -0.13 0.00 -0.04 0.00 0.00 63.50 60.75 1ajr n PRO 138 Cb 0.41 -0.61 -0.05 0.00 -0.04 0.00 0.00 33.50 33.22 1ajr n PRO 138 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ajr s THR 139 N -2.87 0.00 -0.12 0.52 -1.32 -1.15 -4.66 115.64 106.04 1ajr s THR 139 Ca 0.62 -1.58 -0.29 0.00 -1.21 0.00 0.00 61.69 59.23 1ajr s THR 139 Cb -0.04 -2.53 -0.06 0.00 -1.51 0.00 0.00 72.50 68.37 1ajr s THR 139 CO 0.41 0.00 2.00 0.86 -2.21 0.00 0.00 174.62 175.68 1ajr s TRP 140 N -3.38 1.40 0.42 9.09 -0.00 -1.00 -4.62 118.94 120.85 1ajr s TRP 140 Ca 0.29 0.16 0.25 0.00 -0.00 0.00 0.00 56.10 56.80 1ajr s TRP 140 Cb 0.00 -4.06 1.31 0.00 -0.00 0.00 0.00 33.47 30.72 1ajr s TRP 140 CO 0.17 -4.42 1.67 1.05 -0.00 0.00 0.00 176.95 175.41 1ajr h GLU 141 N 12.50 0.18 0.00 5.86 9.09 -1.99 0.21 114.58 140.43 1ajr h GLU 141 Ca -0.43 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1ajr h GLU 141 Cb 1.22 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1ajr h GLU 141 CO 0.96 0.12 0.00 -1.71 0.05 0.00 0.00 179.01 178.43 1ajr n ASN 142 N -4.73 0.00 -0.03 3.06 5.15 -1.26 -3.34 115.26 114.12 1ajr n ASN 142 Ca 0.33 -0.01 -0.11 0.00 -0.60 0.00 0.00 54.58 54.19 1ajr n ASN 142 Cb 1.24 -0.27 -0.06 0.00 -0.53 0.00 0.00 39.78 40.16 1ajr n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1ajr h HIS 143 N 0.00 0.19 -0.10 1.20 3.86 -0.95 -2.21 115.15 117.15 1ajr h HIS 143 Ca 0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ajr h HIS 143 Cb 0.16 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1ajr h HIS 143 CO 0.00 0.27 0.06 -0.91 0.86 0.00 0.00 177.93 178.21 1ajr h ASN 144 N 0.06 0.12 -0.55 2.45 4.21 -1.76 -2.86 115.58 117.24 1ajr h ASN 144 Ca 0.04 -0.05 0.07 0.00 1.21 0.00 0.00 56.30 57.58 1ajr h ASN 144 Cb 0.16 -0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 37.26 1ajr h ASN 144 CO -0.00 0.14 0.21 1.23 -1.29 0.00 0.00 177.43 177.72 1ajr h GLY 145 N 0.10 0.76 0.89 2.83 0.00 -1.70 0.19 103.07 106.14 1ajr h GLY 145 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1ajr h GLY 145 CO -0.01 0.02 0.09 -2.08 0.00 0.00 0.00 176.54 174.56 1ajr h VAL 146 N 0.41 1.20 -0.14 4.60 2.07 -1.33 -1.44 116.25 121.60 1ajr h VAL 146 Ca 0.27 -0.63 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1ajr h VAL 146 Cb 0.29 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1ajr h VAL 146 CO -0.26 0.21 -0.56 -0.26 0.02 0.00 0.00 177.57 176.73 1ajr h PHE 147 N 0.28 0.54 -0.31 1.57 0.04 -1.26 -2.23 116.94 115.57 1ajr h PHE 147 Ca 0.09 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 1ajr h PHE 147 Cb 0.24 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1ajr h PHE 147 CO 0.00 0.89 0.05 1.15 -0.60 0.00 0.00 178.31 179.80 1ajr h THR 148 N 0.33 1.23 -0.20 -1.55 2.02 -0.55 -2.69 112.91 111.51 1ajr h THR 148 Ca 0.00 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1ajr h THR 148 Cb 1.08 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1ajr h THR 148 CO 0.10 0.27 -0.06 0.74 0.37 0.00 0.00 175.52 176.94 1ajr h THR 149 N 0.34 1.16 0.00 3.16 2.02 -1.20 -0.84 112.91 117.55 1ajr h THR 149 Ca 0.09 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1ajr h THR 149 Cb 0.35 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1ajr h THR 149 CO 0.01 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1ajr n ALA 150 N -2.49 1.76 0.00 6.16 0.00 -0.85 -4.90 120.51 120.19 1ajr n ALA 150 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ajr n ALA 150 Cb 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1ajr n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajr n GLY 151 N 0.20 0.96 3.70 0.00 0.00 -0.32 -4.81 105.19 104.92 1ajr n GLY 151 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ajr n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajr s PHE 152 N -2.00 2.32 -0.13 1.61 0.08 -1.03 -4.84 117.98 113.99 1ajr s PHE 152 Ca 0.00 0.04 0.17 0.00 0.12 0.00 0.00 56.93 57.26 1ajr s PHE 152 Cb 0.00 -4.19 -0.10 0.00 -0.57 0.00 0.00 43.02 38.16 1ajr s PHE 152 CO 0.00 -4.82 0.94 0.87 -0.10 0.00 0.00 175.22 172.12 1ajr h LYS 153 N 8.16 0.00 -3.95 0.44 1.57 -1.67 -3.41 116.57 117.71 1ajr h LYS 153 Ca -0.45 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 1ajr h LYS 153 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 1ajr h LYS 153 CO 0.95 0.32 -0.68 0.34 -0.57 0.00 0.00 179.45 179.81 1ajr s ASP 154 N -5.89 4.46 -0.27 0.86 -1.08 -1.26 -5.06 116.67 108.43 1ajr s ASP 154 Ca -0.02 -2.55 -0.08 0.00 -0.52 0.00 0.00 52.55 49.38 1ajr s ASP 154 Cb 0.09 -1.56 -0.02 0.00 -1.46 0.00 0.00 42.92 39.96 1ajr s ASP 154 CO 0.80 -0.31 0.11 -0.63 0.52 0.00 0.00 175.17 175.66 1ajr s ILE 155 N 0.37 4.49 0.33 4.11 -1.09 -1.26 -1.29 121.20 126.86 1ajr s ILE 155 Ca 0.14 -0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1ajr s ILE 155 Cb -0.22 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1ajr s ILE 155 CO -0.05 0.24 0.05 -0.13 -1.23 0.00 0.00 174.94 173.82 1ajr s ARG 156 N 1.63 2.19 0.09 2.79 0.52 0.21 -4.97 118.95 121.41 1ajr s ARG 156 Ca 0.06 -1.63 0.07 0.00 -0.52 0.00 0.00 55.73 53.70 1ajr s ARG 156 Cb -0.16 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 1ajr s ARG 156 CO 0.05 0.17 -0.12 -1.12 0.02 0.00 0.00 175.30 174.30 1ajr s SER 157 N -3.75 4.27 -0.01 0.23 0.01 -1.26 -0.80 113.70 112.40 1ajr s SER 157 Ca 0.35 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.26 1ajr s SER 157 Cb -0.02 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1ajr s SER 157 CO 0.20 0.19 -0.15 -0.72 0.41 0.00 0.00 173.24 173.18 1ajr s TYR 158 N -1.15 2.66 0.40 2.43 -0.85 -0.14 -4.86 117.35 115.84 1ajr s TYR 158 Ca 0.20 -0.19 -0.27 0.00 -0.52 0.00 0.00 57.07 56.29 1ajr s TYR 158 Cb -0.11 -1.56 -0.10 0.00 0.38 0.00 0.00 41.96 40.57 1ajr s TYR 158 CO 0.12 0.22 1.44 1.03 -1.52 0.00 0.00 175.55 176.84 1ajr s ARG 159 N -1.07 3.96 0.20 -3.49 3.00 -1.26 -1.72 118.95 118.57 1ajr s ARG 159 Ca 0.13 2.45 0.00 0.00 0.00 0.00 0.00 55.73 58.32 1ajr s ARG 159 Cb -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 32.00 1ajr s ARG 159 CO 0.03 -0.61 0.00 0.98 0.00 0.00 0.00 175.30 175.70 1ajr n TYR 160 N 0.21 -2.19 -3.04 -0.53 9.36 -1.23 -3.52 117.16 116.21 1ajr n TYR 160 Ca 0.03 0.47 -0.40 0.00 3.32 0.00 0.00 57.90 61.32 1ajr n TYR 160 Cb 0.41 1.17 -0.05 0.00 -0.63 0.00 0.00 39.34 40.24 1ajr n TYR 160 CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1ajr s TRP 161 N -1.55 3.63 -0.42 2.98 -0.11 -0.94 0.58 118.94 123.11 1ajr s TRP 161 Ca 0.00 1.31 -0.12 0.00 1.22 0.00 0.00 56.10 58.51 1ajr s TRP 161 Cb 0.00 -2.79 0.06 0.00 -1.50 0.00 0.00 33.47 29.24 1ajr s TRP 161 CO 0.00 0.17 0.28 0.34 -4.62 0.00 0.00 176.95 173.12 1ajr s ASP 162 N 0.46 5.83 0.20 5.86 -1.08 0.12 -4.76 116.67 123.30 1ajr s ASP 162 Ca 0.37 -1.29 -0.10 0.00 -0.52 0.00 0.00 52.55 51.01 1ajr s ASP 162 Cb -0.19 -2.06 0.19 0.00 -1.46 0.00 0.00 42.92 39.40 1ajr s ASP 162 CO 0.19 -0.52 1.83 0.71 0.52 0.00 0.00 175.17 177.90 1ajr h THR 163 N 5.91 1.05 0.75 1.71 1.35 -1.96 0.82 112.91 122.54 1ajr h THR 163 Ca -0.25 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.31 1ajr h THR 163 Cb 1.10 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1ajr h THR 163 CO 0.76 0.14 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.48 1ajr h GLU 164 N 0.76 -0.97 0.00 4.72 4.39 -1.95 -3.00 114.58 118.53 1ajr h GLU 164 Ca 0.27 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1ajr h GLU 164 Cb 0.07 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ajr h GLU 164 CO -0.13 -0.62 0.00 1.63 -1.16 0.00 0.00 179.01 178.73 1ajr n LYS 165 N -5.47 0.18 -3.67 2.33 4.76 -1.19 -4.90 118.16 110.21 1ajr n LYS 165 Ca -0.13 0.30 -0.22 0.00 -2.87 0.00 0.00 58.31 55.39 1ajr n LYS 165 Cb 0.41 -1.78 0.05 0.00 -1.84 0.00 0.00 35.03 31.86 1ajr n LYS 165 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ajr n ARG 166 N -2.11 -5.46 -0.84 1.97 1.74 0.28 -4.93 116.66 107.31 1ajr n ARG 166 Ca 0.04 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1ajr n ARG 166 Cb 0.30 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 1ajr n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajr n GLY 167 N -1.52 1.99 3.71 -0.13 0.00 -1.04 -4.84 105.19 103.37 1ajr n GLY 167 Ca -0.25 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1ajr n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajr s LEU 168 N 0.00 4.37 -1.24 0.99 2.96 -1.26 0.14 118.68 124.65 1ajr s LEU 168 Ca 0.00 1.82 -0.13 0.00 -0.22 0.00 0.00 54.13 55.60 1ajr s LEU 168 Cb 0.00 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.28 1ajr s LEU 168 CO 0.00 -0.36 1.57 -0.67 -1.32 0.00 0.00 176.35 175.57 1ajr n ASP 169 N 3.94 5.16 -0.26 3.68 2.03 0.20 -4.81 116.55 126.48 1ajr n ASP 169 Ca 0.07 -3.01 -0.04 0.00 0.52 0.00 0.00 54.79 52.34 1ajr n ASP 169 Cb 0.49 -1.56 0.07 0.00 -0.72 0.00 0.00 41.12 39.40 1ajr n ASP 169 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ajr h LEU 170 N 9.42 0.78 -0.82 -2.67 5.85 -1.92 -0.07 115.31 125.88 1ajr h LEU 170 Ca 0.35 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1ajr h LEU 170 Cb 0.81 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1ajr h LEU 170 CO 1.36 0.55 0.03 1.56 -0.34 0.00 0.00 178.44 181.61 1ajr h GLN 171 N 0.93 0.92 -0.03 1.25 1.08 -1.98 0.12 115.11 117.39 1ajr h GLN 171 Ca 0.27 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ajr h GLN 171 Cb -0.05 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1ajr h GLN 171 CO -0.08 0.89 0.01 0.78 -0.95 0.00 0.00 178.83 179.48 1ajr h GLY 172 N 1.00 0.05 0.61 3.46 0.00 -1.80 -0.53 103.07 105.86 1ajr h GLY 172 Ca 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1ajr h GLY 172 CO 0.02 0.03 -0.28 -2.75 0.00 0.00 0.00 176.54 173.56 1ajr h PHE 173 N -0.09 -0.74 -0.93 5.60 3.04 -0.75 -0.85 116.94 122.22 1ajr h PHE 173 Ca 0.01 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.03 1ajr h PHE 173 Cb 0.15 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.90 1ajr h PHE 173 CO -0.03 -0.39 0.59 -0.07 -2.02 0.00 0.00 178.31 176.40 1ajr h LEU 174 N -0.54 0.96 -0.89 0.59 3.38 -0.68 -0.65 115.31 117.48 1ajr h LEU 174 Ca 0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ajr h LEU 174 Cb 0.53 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ajr h LEU 174 CO -0.11 0.62 0.16 0.28 0.09 0.00 0.00 178.44 179.49 1ajr h SER 175 N 1.10 0.92 -0.47 -0.43 0.02 -0.64 0.06 113.55 114.11 1ajr h SER 175 Ca 0.40 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1ajr h SER 175 Cb 0.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1ajr h SER 175 CO -0.16 0.88 0.16 0.44 -1.14 0.00 0.00 176.83 177.01 1ajr h ASP 176 N 0.94 0.72 -0.28 3.07 3.32 -0.24 -0.65 116.42 123.30 1ajr h ASP 176 Ca 0.20 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1ajr h ASP 176 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ajr h ASP 176 CO -0.00 0.68 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.01 1ajr h LEU 177 N 0.76 0.59 -1.31 1.55 3.38 -0.47 -2.13 115.31 117.69 1ajr h LEU 177 Ca 0.17 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1ajr h LEU 177 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ajr h LEU 177 CO -0.01 0.86 0.07 -0.33 0.09 0.00 0.00 178.44 179.12 1ajr h GLU 178 N 0.33 0.54 -0.00 1.13 4.39 -0.59 -2.60 114.58 117.77 1ajr h GLU 178 Ca 0.07 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ajr h GLU 178 Cb 0.63 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1ajr h GLU 178 CO 0.04 0.51 -0.32 0.09 -1.16 0.00 0.00 179.01 178.17 1ajr n ASN 179 N -4.32 0.36 -4.75 1.42 3.02 -0.29 -4.90 115.26 105.79 1ajr n ASN 179 Ca 0.02 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 1ajr n ASN 179 Cb 0.20 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1ajr n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ajr s ALA 180 N -2.96 3.44 0.56 5.41 0.00 -0.81 -4.98 121.76 122.41 1ajr s ALA 180 Ca 0.13 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 1ajr s ALA 180 Cb 0.18 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1ajr s ALA 180 CO 0.63 -0.35 1.26 -2.30 0.00 0.00 0.00 175.76 175.00 1ajr n PRO 181 N 1.63 1.46 -1.67 0.00 -0.02 -1.26 -4.90 135.00 130.24 1ajr n PRO 181 Ca 0.01 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1ajr n PRO 181 Cb 0.44 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1ajr n PRO 181 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ajr n GLU 182 N -1.03 1.66 -0.95 -0.52 1.02 -1.26 -1.97 120.64 117.59 1ajr n GLU 182 Ca 0.12 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1ajr n GLU 182 Cb 0.45 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1ajr n GLU 182 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ajr n PHE 183 N -0.45 0.00 -1.75 -0.32 3.72 -0.38 -5.01 117.46 113.27 1ajr n PHE 183 Ca 0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.11 1ajr n PHE 183 Cb 0.40 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 38.86 1ajr n PHE 183 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1ajr s SER 184 N -2.90 4.61 -0.16 4.37 0.01 -0.83 -4.52 113.70 114.29 1ajr s SER 184 Ca 0.00 2.62 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 1ajr s SER 184 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1ajr s SER 184 CO 0.00 -2.00 0.33 -0.63 0.41 0.00 0.00 173.24 171.35 1ajr s ILE 185 N -1.40 5.28 -0.21 1.44 1.01 -0.23 -1.22 121.20 125.87 1ajr s ILE 185 Ca 0.83 0.62 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 1ajr s ILE 185 Cb -0.37 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1ajr s ILE 185 CO 0.40 0.37 -0.03 -0.36 0.00 0.00 0.00 174.94 175.31 1ajr s PHE 186 N 0.56 2.97 -0.40 3.97 0.40 0.39 0.23 117.98 126.10 1ajr s PHE 186 Ca 0.18 -0.81 -0.22 0.00 -0.60 0.00 0.00 56.93 55.47 1ajr s PHE 186 Cb -0.13 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1ajr s PHE 186 CO 0.05 -0.47 0.73 0.08 0.70 0.00 0.00 175.22 176.31 1ajr s VAL 187 N 1.35 4.75 -0.08 -0.44 1.01 0.43 -0.58 120.40 126.84 1ajr s VAL 187 Ca 0.04 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1ajr s VAL 187 Cb -0.14 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1ajr s VAL 187 CO -0.02 -0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 173.70 1ajr s LEU 188 N 3.03 2.95 -0.19 3.92 1.43 -0.34 -4.37 118.68 125.13 1ajr s LEU 188 Ca 0.28 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 1ajr s LEU 188 Cb -0.13 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1ajr s LEU 188 CO 0.19 0.30 0.77 -1.00 0.23 0.00 0.00 176.35 176.84 1ajr s HIS 189 N -0.47 3.39 0.28 0.29 3.76 -1.26 -0.48 115.29 120.79 1ajr s HIS 189 Ca 0.06 1.14 -0.04 0.00 -0.15 0.00 0.00 55.06 56.08 1ajr s HIS 189 Cb -0.12 -2.95 0.36 0.00 1.11 0.00 0.00 32.58 30.98 1ajr s HIS 189 CO 0.02 -0.24 1.93 0.00 -0.85 0.00 0.00 174.74 175.61 1ajr h ALA 190 N 7.42 1.33 -1.80 -1.40 0.00 -1.61 -3.46 119.26 119.73 1ajr h ALA 190 Ca -0.29 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.76 1ajr h ALA 190 Cb 1.13 -0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.42 1ajr h ALA 190 CO 0.82 0.60 0.69 0.00 0.00 0.00 0.00 179.25 181.35 1ajr n ALA 192 N -0.27 -2.50 -1.56 0.00 0.00 -1.26 -4.70 120.51 110.21 1ajr n ALA 192 Ca -0.05 -0.13 -0.53 0.00 0.00 0.00 0.00 53.44 52.73 1ajr n ALA 192 Cb 0.60 -4.46 -0.06 0.00 0.00 0.00 0.00 19.45 15.53 1ajr n ALA 192 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ajr n HIS 193 N -3.93 1.17 -3.84 0.00 -0.00 -1.26 -4.77 115.22 102.58 1ajr n HIS 193 Ca -0.10 0.77 -0.36 0.00 0.46 0.00 0.00 57.72 58.49 1ajr n HIS 193 Cb 0.60 -2.24 -0.13 0.00 -0.12 0.00 0.00 29.99 28.10 1ajr n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ajr s ASN 194 N 0.21 4.69 0.00 0.26 3.84 -1.26 0.17 114.94 122.85 1ajr s ASN 194 Ca 0.83 -0.53 0.19 0.00 0.21 0.00 0.00 52.86 53.57 1ajr s ASN 194 Cb -1.02 -1.80 0.30 0.00 -0.55 0.00 0.00 41.25 38.18 1ajr s ASN 194 CO 0.51 -0.09 1.24 -0.81 -2.79 0.00 0.00 177.10 175.16 1ajr n PRO 195 N 4.82 2.10 0.05 0.43 -0.04 -1.26 -2.36 135.00 138.74 1ajr n PRO 195 Ca -0.16 -1.96 -0.14 0.00 -0.04 0.00 0.00 63.50 61.20 1ajr n PRO 195 Cb 0.49 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1ajr n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1ajr h THR 196 N 3.66 1.37 0.00 0.52 1.35 -1.83 -3.33 112.91 114.65 1ajr h THR 196 Ca 0.00 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1ajr h THR 196 Cb 0.84 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1ajr h THR 196 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1ajr n GLY 197 N 0.83 0.73 3.57 5.82 0.00 0.13 -2.31 105.19 113.95 1ajr n GLY 197 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1ajr n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajr s THR 198 N -2.83 5.25 0.12 2.61 2.01 -1.26 -0.47 115.64 121.08 1ajr s THR 198 Ca 0.00 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.25 1ajr s THR 198 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1ajr s THR 198 CO 0.00 0.11 -0.16 -1.81 -0.69 0.00 0.00 174.62 172.07 1ajr s ASP 199 N 1.72 3.97 0.66 3.53 1.01 -1.26 -4.48 116.67 121.82 1ajr s ASP 199 Ca 0.09 -0.55 -0.16 0.00 0.71 0.00 0.00 52.55 52.64 1ajr s ASP 199 Cb -0.16 -0.59 -0.00 0.00 1.01 0.00 0.00 42.92 43.18 1ajr s ASP 199 CO 0.11 0.17 1.16 -2.84 0.21 0.00 0.00 175.17 173.97 1ajr s PRO 200 N -2.25 2.69 0.65 8.23 0.02 -1.26 -5.00 135.00 138.08 1ajr s PRO 200 Ca 0.19 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 1ajr s PRO 200 Cb -0.10 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1ajr s PRO 200 CO 0.11 -1.37 0.97 0.95 -0.33 0.00 0.00 177.00 177.33 1ajr s THR 201 N -2.05 3.17 0.32 0.99 -4.23 -1.26 -4.81 115.64 107.78 1ajr s THR 201 Ca 0.71 -0.01 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1ajr s THR 201 Cb -0.25 -3.31 0.31 0.00 1.34 0.00 0.00 72.50 70.59 1ajr s THR 201 CO 0.39 -0.34 1.80 -0.65 -0.54 0.00 0.00 174.62 175.29 1ajr h PRO 202 N -0.40 0.71 -0.44 3.99 0.11 -1.99 0.80 132.00 134.79 1ajr h PRO 202 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1ajr h PRO 202 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1ajr h PRO 202 CO 0.61 0.47 -0.09 1.49 -0.21 0.00 0.00 178.00 180.28 1ajr h GLU 203 N 0.74 0.78 -0.41 1.05 4.81 -2.00 -1.37 114.58 118.18 1ajr h GLU 203 Ca 0.54 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1ajr h GLU 203 Cb 0.88 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1ajr h GLU 203 CO -0.32 0.84 -0.32 1.96 -0.73 0.00 0.00 179.01 180.44 1ajr h GLN 204 N 0.71 0.93 -0.71 1.92 4.20 -1.31 -2.71 115.11 118.14 1ajr h GLN 204 Ca 0.12 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.41 1ajr h GLN 204 Cb 0.56 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1ajr h GLN 204 CO 0.03 1.11 0.47 -1.49 -0.67 0.00 0.00 178.83 178.28 1ajr h TRP 205 N 0.77 0.84 -0.27 2.96 4.06 -0.65 -0.99 115.95 122.67 1ajr h TRP 205 Ca 0.08 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.96 1ajr h TRP 205 Cb 0.91 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1ajr h TRP 205 CO 0.06 0.49 -0.21 0.87 -3.56 0.00 0.00 178.44 176.09 1ajr h LYS 206 N 0.87 0.51 -0.28 0.49 1.57 -0.94 -0.72 116.57 118.08 1ajr h LYS 206 Ca 0.28 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1ajr h LYS 206 Cb 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ajr h LYS 206 CO -0.08 0.69 -0.48 1.96 -0.57 0.00 0.00 179.45 180.98 1ajr h GLN 207 N 0.46 0.81 -0.12 3.15 4.20 -1.06 -1.56 115.11 120.99 1ajr h GLN 207 Ca 0.07 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1ajr h GLN 207 Cb 0.62 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ajr h GLN 207 CO 0.04 1.14 0.07 0.82 -0.67 0.00 0.00 178.83 180.23 1ajr h ILE 208 N 0.57 1.02 -0.98 2.54 2.04 -1.00 -2.85 117.51 118.86 1ajr h ILE 208 Ca 0.02 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1ajr h ILE 208 Cb 1.08 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1ajr h ILE 208 CO 0.11 0.03 0.64 0.00 0.00 0.00 0.00 178.15 178.93 1ajr h ALA 209 N 1.05 1.29 -0.19 1.87 0.00 -1.09 -2.16 119.26 120.03 1ajr h ALA 209 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ajr h ALA 209 Cb -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 1ajr h ALA 209 CO -0.02 0.54 -0.11 1.03 0.00 0.00 0.00 179.25 180.69 1ajr h SER 210 N 1.25 -0.37 -0.16 0.00 0.87 -1.05 -0.41 113.55 113.68 1ajr h SER 210 Ca 0.38 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 1ajr h SER 210 Cb -0.02 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1ajr h SER 210 CO -0.12 -0.15 0.05 0.58 -0.53 0.00 0.00 176.83 176.66 1ajr h VAL 211 N -0.10 1.18 -0.66 2.23 2.07 -1.39 -2.39 116.25 117.19 1ajr h VAL 211 Ca 0.11 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1ajr h VAL 211 Cb 0.27 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1ajr h VAL 211 CO -0.26 0.17 0.32 0.24 0.02 0.00 0.00 177.57 178.06 1ajr h MET 212 N 0.07 0.54 -0.23 1.57 2.86 -1.17 0.34 114.93 118.91 1ajr h MET 212 Ca 0.05 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1ajr h MET 212 Cb 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1ajr h MET 212 CO -0.00 0.36 0.08 -0.22 1.06 0.00 0.00 176.91 178.19 1ajr h LYS 213 N 0.56 0.35 -0.34 1.72 3.64 -1.01 0.81 116.57 122.31 1ajr h LYS 213 Ca 0.32 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1ajr h LYS 213 Cb 0.33 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1ajr h LYS 213 CO -0.26 0.42 0.22 -0.09 -2.27 0.00 0.00 179.45 177.48 1ajr h ARG 214 N 0.21 0.44 -0.38 1.90 2.43 -0.88 -3.08 114.38 115.02 1ajr h ARG 214 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ajr h ARG 214 Cb 0.21 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ajr h ARG 214 CO -0.00 0.30 0.00 0.54 -1.51 0.00 0.00 179.97 179.30 1ajr n ARG 215 N -4.85 2.11 -3.68 0.20 1.74 0.06 -4.96 116.66 107.28 1ajr n ARG 215 Ca -0.01 -1.70 -0.21 0.00 -0.77 0.00 0.00 57.85 55.16 1ajr n ARG 215 Cb 0.03 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.09 1ajr n ARG 215 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ajr n PHE 216 N 0.89 -1.99 -3.21 -1.55 3.72 -0.23 -3.05 117.46 112.03 1ajr n PHE 216 Ca 0.17 0.86 -0.39 0.00 -0.05 0.00 0.00 57.45 58.04 1ajr n PHE 216 Cb 0.44 -4.46 -0.06 0.00 -0.94 0.00 0.00 39.48 34.46 1ajr n PHE 216 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ajr s LEU 217 N -6.69 4.50 -0.23 4.37 1.43 0.11 -1.24 118.68 120.93 1ajr s LEU 217 Ca 0.06 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 1ajr s LEU 217 Cb -0.03 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1ajr s LEU 217 CO 0.80 0.21 0.63 0.12 0.23 0.00 0.00 176.35 178.34 1ajr s PHE 218 N -0.80 3.33 -0.31 0.29 5.36 -0.36 -4.77 117.98 120.71 1ajr s PHE 218 Ca 0.31 0.88 -0.26 0.00 -0.96 0.00 0.00 56.93 56.89 1ajr s PHE 218 Cb -0.20 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.67 1ajr s PHE 218 CO 0.19 -0.26 0.93 -1.25 -1.46 0.00 0.00 175.22 173.37 1ajr s PRO 219 N 2.24 4.02 -0.51 10.12 0.05 -1.26 -0.46 135.00 149.20 1ajr s PRO 219 Ca 0.28 0.83 -0.05 0.00 0.05 0.00 0.00 61.00 62.11 1ajr s PRO 219 Cb -0.16 -3.73 0.13 0.00 0.05 0.00 0.00 34.50 30.80 1ajr s PRO 219 CO 0.09 -0.78 0.34 0.12 0.05 0.00 0.00 177.00 176.82 1ajr s PHE 220 N 3.27 3.50 0.26 0.56 2.19 0.26 -2.35 117.98 125.68 1ajr s PHE 220 Ca 0.39 -2.37 -0.26 0.00 0.33 0.00 0.00 56.93 55.01 1ajr s PHE 220 Cb -0.13 -3.31 -0.09 0.00 -1.31 0.00 0.00 43.02 38.18 1ajr s PHE 220 CO 0.13 -0.94 0.89 -0.06 1.83 0.00 0.00 175.22 177.07 1ajr s PHE 221 N 0.76 3.80 -0.30 10.12 0.08 0.24 -1.19 117.98 131.48 1ajr s PHE 221 Ca 0.11 1.74 -0.01 0.00 0.12 0.00 0.00 56.93 58.89 1ajr s PHE 221 Cb -0.22 -2.87 0.06 0.00 -0.57 0.00 0.00 43.02 39.42 1ajr s PHE 221 CO -0.03 0.34 0.00 0.34 -0.10 0.00 0.00 175.22 175.77 1ajr s ASP 222 N -1.44 4.84 -0.67 1.36 -1.08 0.36 0.04 116.67 120.08 1ajr s ASP 222 Ca 0.45 -1.41 -0.01 0.00 -0.52 0.00 0.00 52.55 51.06 1ajr s ASP 222 Cb -0.21 -1.69 0.17 0.00 -1.46 0.00 0.00 42.92 39.73 1ajr s ASP 222 CO 0.26 -0.28 0.48 -0.55 0.52 0.00 0.00 175.17 175.60 1ajr s SER 223 N 1.26 5.17 0.00 -0.34 0.15 0.72 -1.39 113.70 119.27 1ajr s SER 223 Ca -0.04 -3.16 0.19 0.00 0.70 0.00 0.00 55.95 53.64 1ajr s SER 223 Cb -0.20 -1.80 -0.13 0.00 -1.71 0.00 0.00 66.02 62.17 1ajr s SER 223 CO -0.02 -0.28 0.86 0.00 1.20 0.00 0.00 173.24 175.00 1ajr n ALA 224 N 3.03 4.04 -1.99 5.45 0.00 -1.26 -1.83 120.51 127.95 1ajr n ALA 224 Ca 0.11 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.05 1ajr n ALA 224 Cb 0.36 -0.68 0.10 0.00 0.00 0.00 0.00 19.45 19.23 1ajr n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ajr n TYR 225 N -0.94 0.00 -1.68 0.00 4.01 -1.26 -4.54 117.16 112.76 1ajr n TYR 225 Ca 0.05 -0.85 -0.45 0.00 -0.16 0.00 0.00 57.90 56.49 1ajr n TYR 225 Cb 0.33 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 1ajr n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ajr n GLN 226 N -0.31 2.47 0.00 -0.72 7.27 -1.26 -0.90 117.38 123.93 1ajr n GLN 226 Ca 0.11 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.08 1ajr n GLN 226 Cb 0.89 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.76 1ajr n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ajr n GLY 227 N 4.31 2.11 0.34 1.69 0.00 -1.26 -4.68 105.19 107.69 1ajr n GLY 227 Ca 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1ajr n GLY 227 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ajr h PHE 228 N 0.00 1.04 0.27 1.61 3.04 -1.64 0.20 116.94 121.45 1ajr h PHE 228 Ca 0.00 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1ajr h PHE 228 Cb 0.00 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.18 1ajr h PHE 228 CO 0.00 0.75 -0.14 0.00 -2.02 0.00 0.00 178.31 176.89 1ajr h ALA 229 N 1.36 -1.06 0.00 2.41 0.00 -1.29 -3.38 119.26 117.30 1ajr h ALA 229 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ajr h ALA 229 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ajr h ALA 229 CO -0.04 -1.04 -1.07 -1.13 0.00 0.00 0.00 179.25 175.98 1ajr n SER 230 N -3.11 0.83 0.00 0.00 3.41 -1.24 -3.72 113.62 109.79 1ajr n SER 230 Ca -0.05 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1ajr n SER 230 Cb 0.15 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 1ajr n SER 230 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajr n GLY 231 N 1.44 0.24 3.03 5.00 0.00 0.69 -4.93 105.19 110.66 1ajr n GLY 231 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1ajr n GLY 231 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ajr s ASN 232 N -2.29 2.77 0.26 1.61 3.84 -1.22 -4.37 114.94 115.54 1ajr s ASN 232 Ca 0.00 -0.53 -0.05 0.00 0.21 0.00 0.00 52.86 52.49 1ajr s ASN 232 Cb 0.00 -1.21 0.30 0.00 -0.55 0.00 0.00 41.25 39.80 1ajr s ASN 232 CO 0.00 -0.06 1.92 -0.07 -2.79 0.00 0.00 177.10 176.11 1ajr h LEU 233 N 8.04 1.09 -0.15 3.21 3.38 -1.90 -2.47 115.31 126.50 1ajr h LEU 233 Ca -0.38 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1ajr h LEU 233 Cb 1.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ajr h LEU 233 CO 0.53 0.81 -0.10 -0.33 0.09 0.00 0.00 178.44 179.45 1ajr h GLU 234 N 1.27 0.34 -0.32 1.13 4.39 -1.95 -2.98 114.58 116.46 1ajr h GLU 234 Ca 0.34 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1ajr h GLU 234 Cb -0.11 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ajr h GLU 234 CO -0.07 0.68 0.18 -0.22 -1.16 0.00 0.00 179.01 178.41 1ajr h LYS 235 N -0.01 0.35 0.00 2.33 3.64 -1.97 -2.74 116.57 118.18 1ajr h LYS 235 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ajr h LYS 235 Cb 0.59 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ajr h LYS 235 CO 0.03 0.23 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.98 1ajr h ASP 236 N 0.36 0.00 -0.21 4.20 3.32 -1.46 -2.34 116.42 120.29 1ajr h ASP 236 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ajr h ASP 236 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ajr h ASP 236 CO -0.07 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.48 1ajr n ALA 237 N -2.14 2.45 -0.09 3.45 0.00 -1.04 -4.60 120.51 118.55 1ajr n ALA 237 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 1ajr n ALA 237 Cb 0.17 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1ajr n ALA 237 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ajr h TRP 238 N 4.24 -0.58 -0.47 0.00 7.01 -1.33 -1.78 115.95 123.03 1ajr h TRP 238 Ca 0.00 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.10 1ajr h TRP 238 Cb 0.92 0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 28.23 1ajr h TRP 238 CO 0.13 -0.30 0.17 0.00 -2.79 0.00 0.00 178.44 175.65 1ajr h ALA 239 N 0.97 0.57 -0.09 2.65 0.00 -1.82 0.20 119.26 121.73 1ajr h ALA 239 Ca 0.17 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ajr h ALA 239 Cb 0.45 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ajr h ALA 239 CO -0.44 -0.21 -0.07 0.82 0.00 0.00 0.00 179.25 179.34 1ajr h ILE 240 N 0.35 0.78 -0.78 0.00 2.04 -1.76 -1.80 117.51 116.34 1ajr h ILE 240 Ca 0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 1ajr h ILE 240 Cb 0.21 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1ajr h ILE 240 CO -0.22 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.47 1ajr h ARG 241 N -0.09 1.03 -0.19 2.37 3.08 -0.68 -1.57 114.38 118.34 1ajr h ARG 241 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ajr h ARG 241 Cb 0.18 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ajr h ARG 241 CO -0.15 0.69 0.10 -0.92 -1.07 0.00 0.00 179.97 178.62 1ajr h TYR 242 N 1.06 0.26 -0.74 3.04 3.20 -0.19 0.01 116.97 123.60 1ajr h TYR 242 Ca 0.28 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1ajr h TYR 242 Cb -0.11 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1ajr h TYR 242 CO 0.00 0.24 0.49 0.74 -1.64 0.00 0.00 178.16 177.99 1ajr h PHE 243 N 0.20 0.92 -0.31 -3.82 -1.00 -0.93 0.17 116.94 112.16 1ajr h PHE 243 Ca 0.07 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1ajr h PHE 243 Cb 0.07 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1ajr h PHE 243 CO -0.04 0.58 0.10 0.28 -1.61 0.00 0.00 178.31 177.62 1ajr h VAL 244 N 0.99 1.20 -0.15 -0.55 2.07 -0.75 -1.76 116.25 117.31 1ajr h VAL 244 Ca 0.27 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ajr h VAL 244 Cb -0.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ajr h VAL 244 CO -0.06 0.22 0.06 0.28 0.02 0.00 0.00 177.57 178.09 1ajr h SER 245 N 0.34 0.18 -0.02 0.57 0.02 -0.33 -0.89 113.55 113.42 1ajr h SER 245 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ajr h SER 245 Cb 0.24 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ajr h SER 245 CO -0.00 0.17 0.00 -0.62 -1.14 0.00 0.00 176.83 175.23 1ajr n GLU 246 N -4.47 1.06 -1.21 3.45 -0.58 -0.02 -4.89 120.64 113.98 1ajr n GLU 246 Ca -0.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.63 1ajr n GLU 246 Cb 0.11 -1.21 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1ajr n GLU 246 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ajr n GLY 247 N 0.73 0.43 3.82 0.62 0.00 -0.34 -5.04 105.19 105.41 1ajr n GLY 247 Ca 0.10 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1ajr n GLY 247 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajr s PHE 248 N -2.04 3.21 -0.15 1.61 0.40 -0.69 -5.00 117.98 115.32 1ajr s PHE 248 Ca 0.00 1.54 -0.08 0.00 -0.60 0.00 0.00 56.93 57.79 1ajr s PHE 248 Cb 0.00 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 1ajr s PHE 248 CO 0.00 -0.56 0.14 -1.21 0.70 0.00 0.00 175.22 174.28 1ajr s GLU 249 N -3.64 3.69 0.29 0.44 2.02 -1.26 -4.69 118.70 115.55 1ajr s GLU 249 Ca 0.63 -0.16 -0.20 0.00 0.02 0.00 0.00 54.97 55.25 1ajr s GLU 249 Cb -0.12 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1ajr s GLU 249 CO 0.25 0.62 0.72 -0.48 0.02 0.00 0.00 175.26 176.39 1ajr s LEU 250 N -0.57 -0.23 0.01 1.80 0.05 -0.50 -4.50 118.68 114.74 1ajr s LEU 250 Ca 0.13 -0.65 0.06 0.00 0.05 0.00 0.00 54.13 53.71 1ajr s LEU 250 Cb -0.12 2.72 -0.03 0.00 -2.05 0.00 0.00 46.19 46.72 1ajr s LEU 250 CO 0.02 -1.37 -0.18 -0.36 -0.55 0.00 0.00 176.35 173.91 1ajr s PHE 251 N -3.80 2.58 -0.17 3.48 0.40 -0.99 -0.63 117.98 118.85 1ajr s PHE 251 Ca 0.12 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1ajr s PHE 251 Cb -0.06 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 42.01 1ajr s PHE 251 CO 0.07 0.20 0.02 0.00 0.70 0.00 0.00 175.22 176.22 1ajr s ALA 253 N 1.85 3.48 -0.11 0.00 0.00 0.11 -0.21 121.76 126.88 1ajr s ALA 253 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1ajr s ALA 253 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1ajr s ALA 253 CO -0.07 -1.32 -0.00 -0.65 0.00 0.00 0.00 175.76 173.71 1ajr s GLN 254 N 2.97 3.23 -0.04 0.00 -0.21 0.12 -0.20 119.66 125.54 1ajr s GLN 254 Ca 0.31 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 55.30 1ajr s GLN 254 Cb -0.14 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.99 1ajr s GLN 254 CO 0.14 0.55 -0.16 0.45 -2.12 0.00 0.00 175.29 174.15 1ajr s SER 255 N -0.47 3.85 -0.00 5.90 0.15 -0.76 -1.10 113.70 121.28 1ajr s SER 255 Ca 0.08 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 56.59 1ajr s SER 255 Cb -0.12 -0.75 0.35 0.00 -1.71 0.00 0.00 66.02 63.80 1ajr s SER 255 CO 0.02 0.33 1.29 0.49 1.20 0.00 0.00 173.24 176.58 1ajr n PHE 256 N 2.25 0.54 0.06 3.44 3.01 -0.40 -4.70 117.46 121.66 1ajr n PHE 256 Ca -0.17 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.79 1ajr n PHE 256 Cb 0.52 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.99 1ajr n PHE 256 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ajr n SER 257 N 0.62 0.00 0.00 4.37 7.64 -1.26 -2.34 113.62 122.65 1ajr n SER 257 Ca 0.13 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ajr n SER 257 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1ajr n SER 257 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ajr n ASN 259 N -0.99 0.00 -0.10 6.43 0.23 -1.26 -1.51 115.26 118.06 1ajr n ASN 259 Ca 0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 1ajr n ASN 259 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1ajr n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ajr n PHE 260 N 0.00 0.00 -2.43 -2.53 3.01 -0.99 -4.84 117.46 109.68 1ajr n PHE 260 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 1ajr n PHE 260 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1ajr n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ajr n GLY 261 N 0.94 -0.36 2.28 1.37 0.00 -1.01 -4.66 105.19 103.75 1ajr n GLY 261 Ca 0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1ajr n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ajr n LEU 262 N -2.71 7.28 -0.39 0.99 4.77 -0.57 -4.80 117.00 121.58 1ajr n LEU 262 Ca -0.19 -4.33 -0.05 0.00 -0.03 0.00 0.00 56.01 51.40 1ajr n LEU 262 Cb 0.65 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1ajr n LEU 262 CO 0.27 1.55 0.55 1.88 -1.33 0.00 0.00 177.39 180.31 1ajr h TYR 263 N 1.99 -1.38 0.00 -1.77 0.05 -1.80 -0.29 116.97 113.77 1ajr h TYR 263 Ca 0.57 0.11 0.00 0.00 0.05 0.00 0.00 58.73 59.47 1ajr h TYR 263 Cb 0.97 0.74 0.00 0.00 1.01 0.00 0.00 36.73 39.45 1ajr h TYR 263 CO 1.36 -0.39 0.00 0.27 -1.05 0.00 0.00 178.16 178.34 1ajr n ASN 264 N -5.39 0.00 -0.55 3.88 2.04 -1.26 -3.21 115.26 110.77 1ajr n ASN 264 Ca 0.07 -1.25 0.09 0.00 -0.44 0.00 0.00 54.58 53.05 1ajr n ASN 264 Cb 0.35 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.62 1ajr n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ajr n GLU 265 N -0.86 1.58 -3.55 -3.83 -0.58 -0.12 -5.03 120.64 108.25 1ajr n GLU 265 Ca 0.17 -1.16 -0.21 0.00 -0.42 0.00 0.00 57.16 55.54 1ajr n GLU 265 Cb 0.08 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 1ajr n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ajr n ARG 266 N 0.33 -1.33 -3.82 3.49 5.12 -1.20 -4.51 116.66 114.74 1ajr n ARG 266 Ca 0.09 0.82 -0.36 0.00 -1.93 0.00 0.00 57.85 56.47 1ajr n ARG 266 Cb 0.43 -4.01 -0.13 0.00 -1.16 0.00 0.00 32.46 27.59 1ajr n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ajr s VAL 267 N -3.20 3.82 0.21 1.55 1.01 -1.26 -2.48 120.40 120.04 1ajr s VAL 267 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1ajr s VAL 267 Cb -0.08 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1ajr s VAL 267 CO 0.84 0.30 0.27 -0.83 0.00 0.00 0.00 175.10 175.68 1ajr s GLY 268 N 1.52 0.99 -0.13 4.51 0.00 -0.80 -1.28 107.32 112.15 1ajr s GLY 268 Ca 0.05 -1.31 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1ajr s GLY 268 CO 0.00 -1.06 0.33 0.21 0.00 0.00 0.00 173.10 172.58 1ajr s ASN 269 N -3.08 -0.35 -0.39 1.64 3.84 -0.26 -0.86 114.94 115.48 1ajr s ASN 269 Ca 0.30 0.67 -0.13 0.00 0.21 0.00 0.00 52.86 53.91 1ajr s ASN 269 Cb 0.04 0.64 0.02 0.00 -0.55 0.00 0.00 41.25 41.40 1ajr s ASN 269 CO 0.09 -0.13 0.26 -0.22 -2.79 0.00 0.00 177.10 174.31 1ajr s LEU 270 N 0.55 4.92 -0.07 3.21 2.96 0.51 0.17 118.68 130.92 1ajr s LEU 270 Ca -0.03 -0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 52.81 1ajr s LEU 270 Cb -0.05 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 1ajr s LEU 270 CO -0.03 -0.41 0.41 -0.89 -1.32 0.00 0.00 176.35 174.11 1ajr s THR 271 N 1.63 5.14 -0.10 3.68 2.01 0.71 -0.88 115.64 127.82 1ajr s THR 271 Ca 0.04 0.83 0.03 0.00 0.31 0.00 0.00 61.69 62.90 1ajr s THR 271 Cb -0.19 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 1ajr s THR 271 CO 0.09 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 1ajr s VAL 272 N -0.15 2.28 -0.17 3.82 1.01 0.77 -0.15 120.40 127.82 1ajr s VAL 272 Ca 0.23 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1ajr s VAL 272 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1ajr s VAL 272 CO 0.10 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.89 1ajr s VAL 273 N 0.29 2.31 0.37 2.92 1.01 0.20 -1.31 120.40 126.19 1ajr s VAL 273 Ca -0.16 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1ajr s VAL 273 Cb -0.17 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1ajr s VAL 273 CO 0.08 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.73 1ajr s ALA 274 N 1.16 3.22 0.18 5.51 0.00 -0.35 -1.41 121.76 130.08 1ajr s ALA 274 Ca 0.01 -2.10 -0.08 0.00 0.00 0.00 0.00 51.96 49.79 1ajr s ALA 274 Cb -0.14 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 22.87 1ajr s ALA 274 CO -0.08 -0.02 1.58 -0.22 0.00 0.00 0.00 175.76 177.02 1ajr h LYS 275 N 1.76 0.93 -4.71 0.00 3.64 -1.91 -3.45 116.57 112.83 1ajr h LYS 275 Ca -0.43 -0.38 -0.26 0.00 -1.27 0.00 0.00 60.65 58.31 1ajr h LYS 275 Cb 1.25 -0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.86 1ajr h LYS 275 CO 0.72 1.04 -0.72 -1.83 -2.27 0.00 0.00 179.45 176.39 1ajr s GLU 276 N -4.68 0.75 0.30 1.90 1.03 -1.26 -5.02 118.70 111.72 1ajr s GLU 276 Ca -0.11 -1.13 -0.01 0.00 0.03 0.00 0.00 54.97 53.75 1ajr s GLU 276 Cb 0.13 -0.31 0.47 0.00 -0.80 0.00 0.00 34.13 33.62 1ajr s GLU 276 CO 0.86 0.03 1.94 -1.35 -1.33 0.00 0.00 175.26 175.41 1ajr h PRO 277 N 3.54 1.06 -0.79 -4.83 0.11 -1.82 -3.08 132.00 126.19 1ajr h PRO 277 Ca -0.36 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1ajr h PRO 277 Cb 1.18 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 1ajr h PRO 277 CO 0.55 0.70 0.51 -0.44 -0.21 0.00 0.00 178.00 179.11 1ajr h ASP 278 N 1.09 0.84 -0.78 -2.05 3.32 -1.98 -2.70 116.42 114.17 1ajr h ASP 278 Ca 0.34 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.44 1ajr h ASP 278 Cb 0.02 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1ajr h ASP 278 CO -0.10 0.58 0.48 0.28 -1.72 0.00 0.00 179.24 178.76 1ajr h SER 279 N 0.99 0.76 -0.60 6.45 0.02 -1.97 -2.68 113.55 116.52 1ajr h SER 279 Ca 0.31 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.37 1ajr h SER 279 Cb -0.00 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 1ajr h SER 279 CO -0.11 0.50 0.21 0.40 -1.14 0.00 0.00 176.83 176.69 1ajr h ILE 280 N 0.89 0.74 -0.44 3.27 1.08 -1.58 0.14 117.51 121.62 1ajr h ILE 280 Ca 0.33 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.67 1ajr h ILE 280 Cb 0.11 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1ajr h ILE 280 CO -0.15 0.07 0.28 -0.07 -0.69 0.00 0.00 178.15 177.59 1ajr h LEU 281 N 0.37 0.52 -0.40 1.44 4.07 -1.52 -0.20 115.31 119.59 1ajr h LEU 281 Ca 0.31 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.17 1ajr h LEU 281 Cb 0.40 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1ajr h LEU 281 CO -0.33 0.40 0.01 0.03 -1.08 0.00 0.00 178.44 177.48 1ajr h ARG 282 N 0.59 0.70 -0.09 1.13 3.08 -1.23 -1.76 114.38 116.80 1ajr h ARG 282 Ca 0.16 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ajr h ARG 282 Cb -0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1ajr h ARG 282 CO -0.03 0.78 0.05 0.28 -1.07 0.00 0.00 179.97 179.98 1ajr h VAL 283 N 0.53 1.07 -0.74 2.04 2.07 -0.59 -2.67 116.25 117.96 1ajr h VAL 283 Ca 0.11 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ajr h VAL 283 Cb 0.46 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1ajr h VAL 283 CO 0.02 0.06 0.49 -0.07 0.02 0.00 0.00 177.57 178.09 1ajr h LEU 284 N 0.07 0.85 -1.25 2.57 3.38 -0.99 -0.79 115.31 119.16 1ajr h LEU 284 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ajr h LEU 284 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1ajr h LEU 284 CO -0.01 0.62 0.51 0.77 0.09 0.00 0.00 178.44 180.42 1ajr h SER 285 N 1.01 0.87 0.12 -0.43 4.64 -0.99 -0.59 113.55 118.18 1ajr h SER 285 Ca 0.27 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.33 1ajr h SER 285 Cb -0.12 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.77 1ajr h SER 285 CO -0.06 0.63 -0.96 1.56 -0.87 0.00 0.00 176.83 177.13 1ajr h GLN 286 N 1.03 0.59 -0.86 4.77 1.08 -1.08 -3.18 115.11 117.47 1ajr h GLN 286 Ca 0.29 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1ajr h GLN 286 Cb -0.09 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1ajr h GLN 286 CO -0.07 1.22 0.54 0.52 -0.95 0.00 0.00 178.83 180.09 1ajr h MET 287 N 0.35 1.15 -0.89 1.46 2.86 -0.50 -2.30 114.93 117.06 1ajr h MET 287 Ca -0.10 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1ajr h MET 287 Cb 1.60 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.95 1ajr h MET 287 CO 0.18 0.79 0.56 1.96 1.06 0.00 0.00 176.91 181.47 1ajr h GLN 288 N 1.17 1.03 -0.78 1.72 4.20 -1.11 -0.76 115.11 120.58 1ajr h GLN 288 Ca 0.31 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1ajr h GLN 288 Cb -0.08 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.43 1ajr h GLN 288 CO -0.06 0.68 0.36 0.87 -0.67 0.00 0.00 178.83 180.00 1ajr h LYS 289 N 1.06 1.13 -0.19 1.46 1.57 -1.44 -0.14 116.57 120.02 1ajr h LYS 289 Ca 0.37 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1ajr h LYS 289 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ajr h LYS 289 CO -0.15 0.89 -0.06 0.82 -0.57 0.00 0.00 179.45 180.38 1ajr h ILE 290 N 1.12 1.29 -0.39 1.86 2.04 -1.15 -3.18 117.51 119.09 1ajr h ILE 290 Ca 0.27 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1ajr h ILE 290 Cb 0.14 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1ajr h ILE 290 CO -0.03 0.32 0.16 0.58 0.00 0.00 0.00 178.15 179.18 1ajr h VAL 291 N 0.07 1.19 -1.01 1.67 2.07 -0.98 -3.09 116.25 116.17 1ajr h VAL 291 Ca 0.05 -0.58 0.24 0.00 0.82 0.00 0.00 66.70 67.23 1ajr h VAL 291 Cb 0.51 0.84 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 1ajr h VAL 291 CO 0.02 0.21 0.61 -0.09 0.02 0.00 0.00 177.57 178.34 1ajr h ARG 292 N 0.49 0.55 -0.10 1.57 2.43 -1.01 0.67 114.38 118.98 1ajr h ARG 292 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ajr h ARG 292 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ajr h ARG 292 CO -0.01 0.37 0.00 1.55 -1.51 0.00 0.00 179.97 180.36 1ajr n VAL 293 N -4.83 0.11 -0.01 0.20 3.14 -1.17 -3.01 118.33 112.75 1ajr n VAL 293 Ca 0.26 -0.40 -0.03 0.00 -2.96 0.00 0.00 64.34 61.21 1ajr n VAL 293 Cb 0.75 0.78 -0.01 0.00 -1.06 0.00 0.00 33.84 34.30 1ajr n VAL 293 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1ajr n THR 294 N 0.67 1.06 -0.44 1.55 -1.04 0.09 -4.90 114.28 111.27 1ajr n THR 294 Ca 0.17 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1ajr n THR 294 Cb 0.44 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1ajr n THR 294 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1ajr n TRP 295 N -3.62 0.00 0.00 -1.42 2.14 -0.37 -5.05 117.44 109.12 1ajr n TRP 295 Ca -0.05 -0.04 0.00 0.00 2.07 0.00 0.00 57.50 59.48 1ajr n TRP 295 Cb 0.19 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.68 1ajr n TRP 295 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1ajr n SER 296 N -0.04 0.00 -3.50 -0.67 2.88 -0.44 -4.68 113.62 107.18 1ajr n SER 296 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1ajr n SER 296 Cb 0.14 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 1ajr n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ajr s ASN 297 N 0.00 -0.53 0.49 -3.46 2.20 -1.26 -4.21 114.94 108.17 1ajr s ASN 297 Ca 0.00 0.15 -0.03 0.00 -0.94 0.00 0.00 52.86 52.04 1ajr s ASN 297 Cb 0.00 0.55 -0.01 0.00 -2.00 0.00 0.00 41.25 39.79 1ajr s ASN 297 CO 0.00 -0.83 0.76 -2.16 -2.94 0.00 0.00 177.10 171.93 1ajr s PRO 298 N -2.96 3.23 0.60 3.55 0.04 -1.26 -5.03 135.00 133.17 1ajr s PRO 298 Ca -0.03 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.74 1ajr s PRO 298 Cb -0.00 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1ajr s PRO 298 CO -0.06 -0.32 1.08 -1.25 0.04 0.00 0.00 177.00 176.49 1ajr s PRO 299 N -4.71 3.17 -0.15 0.56 0.04 -1.26 -4.65 135.00 127.99 1ajr s PRO 299 Ca 0.49 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1ajr s PRO 299 Cb -0.10 -2.00 -0.23 0.00 0.04 0.00 0.00 34.50 32.20 1ajr s PRO 299 CO 0.42 -0.95 0.22 0.00 0.04 0.00 0.00 177.00 176.73 1ajr n ALA 300 N -2.01 1.22 -0.08 8.56 0.00 -1.26 -4.57 120.51 122.37 1ajr n ALA 300 Ca 0.10 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1ajr n ALA 300 Cb 0.52 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 1ajr n ALA 300 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ajr h GLN 301 N 0.03 -0.38 -0.29 0.00 5.75 -1.95 -0.06 115.11 118.21 1ajr h GLN 301 Ca -0.46 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.10 1ajr h GLN 301 Cb 2.02 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.63 1ajr h GLN 301 CO 0.03 -0.25 0.10 0.78 -2.65 0.00 0.00 178.83 176.83 1ajr h GLY 302 N -0.40 0.36 1.01 2.39 0.00 -1.84 -2.01 103.07 102.57 1ajr h GLY 302 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ajr h GLY 302 CO -0.46 0.03 0.47 0.00 0.00 0.00 0.00 176.54 176.58 1ajr h ALA 303 N 1.18 0.99 -0.70 3.60 0.00 -1.76 -1.42 119.26 121.15 1ajr h ALA 303 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ajr h ALA 303 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ajr h ALA 303 CO -0.13 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.79 1ajr h ARG 304 N 1.06 1.10 -0.16 0.00 3.08 -0.67 0.80 114.38 119.59 1ajr h ARG 304 Ca 0.28 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ajr h ARG 304 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1ajr h ARG 304 CO -0.05 0.94 0.06 0.82 -1.07 0.00 0.00 179.97 180.67 1ajr h ILE 305 N 1.04 1.17 -0.03 2.04 2.04 -0.94 -1.63 117.51 121.19 1ajr h ILE 305 Ca 0.23 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ajr h ILE 305 Cb 0.30 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1ajr h ILE 305 CO -0.01 0.16 0.01 0.58 0.00 0.00 0.00 178.15 178.89 1ajr h VAL 306 N 0.09 1.11 -0.66 1.67 2.07 -1.10 -2.02 116.25 117.41 1ajr h VAL 306 Ca 0.05 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1ajr h VAL 306 Cb 0.19 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1ajr h VAL 306 CO -0.00 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.05 1ajr h ALA 307 N 0.88 0.88 -0.65 1.67 0.00 -0.82 -0.96 119.26 120.26 1ajr h ALA 307 Ca 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ajr h ALA 307 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ajr h ALA 307 CO -0.00 0.06 0.20 0.00 0.00 0.00 0.00 179.25 179.52 1ajr h ARG 308 N 0.70 1.01 -0.17 0.00 3.08 -1.21 -1.76 114.38 116.03 1ajr h ARG 308 Ca 0.29 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1ajr h ARG 308 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ajr h ARG 308 CO -0.17 0.89 -0.03 1.15 -1.07 0.00 0.00 179.97 180.74 1ajr h THR 309 N 0.94 1.28 0.00 2.04 2.02 -0.92 -2.93 112.91 115.35 1ajr h THR 309 Ca 0.21 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1ajr h THR 309 Cb 0.30 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1ajr h THR 309 CO -0.01 0.29 -0.27 -0.07 0.37 0.00 0.00 175.52 175.83 1ajr h LEU 310 N 0.04 0.00 0.00 2.58 3.38 -1.15 -2.22 115.31 117.94 1ajr h LEU 310 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ajr h LEU 310 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ajr h LEU 310 CO 0.01 0.27 -0.73 -1.54 0.09 0.00 0.00 178.44 176.55 1ajr n SER 311 N -3.44 0.70 -4.38 -0.43 3.41 -0.67 -4.76 113.62 104.05 1ajr n SER 311 Ca -0.00 -0.54 -0.38 0.00 -0.26 0.00 0.00 58.87 57.69 1ajr n SER 311 Cb 0.45 0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 64.86 1ajr n SER 311 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ajr s ASP 312 N -3.06 5.33 0.31 4.04 -1.08 -1.11 -4.98 116.67 116.12 1ajr s ASP 312 Ca 0.09 -0.67 0.06 0.00 -0.52 0.00 0.00 52.55 51.51 1ajr s ASP 312 Cb 0.17 -1.94 0.72 0.00 -1.46 0.00 0.00 42.92 40.41 1ajr s ASP 312 CO 0.77 -0.21 1.82 -0.65 0.52 0.00 0.00 175.17 177.42 1ajr h PRO 313 N 8.29 0.78 -0.44 4.34 0.11 -1.86 0.44 132.00 143.67 1ajr h PRO 313 Ca -0.31 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 1ajr h PRO 313 Cb 1.13 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1ajr h PRO 313 CO 0.61 0.51 -0.03 1.49 -0.21 0.00 0.00 178.00 180.38 1ajr h GLU 314 N 0.80 0.80 -0.10 1.05 4.81 -1.94 -1.91 114.58 118.09 1ajr h GLU 314 Ca 0.52 -0.27 -0.23 0.00 -0.13 0.00 0.00 59.36 59.26 1ajr h GLU 314 Cb 0.76 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.08 1ajr h GLU 314 CO -0.30 0.87 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.95 1ajr h LEU 315 N 0.64 0.85 -0.50 1.64 3.38 -1.61 -2.25 115.31 117.45 1ajr h LEU 315 Ca 0.12 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1ajr h LEU 315 Cb 0.53 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1ajr h LEU 315 CO 0.03 1.38 0.24 0.15 0.09 0.00 0.00 178.44 180.34 1ajr h PHE 316 N 0.46 0.44 -0.32 1.13 3.04 0.51 0.63 116.94 122.83 1ajr h PHE 316 Ca -0.07 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1ajr h PHE 316 Cb 1.47 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.84 1ajr h PHE 316 CO 0.08 0.21 0.16 1.25 -2.02 0.00 0.00 178.31 177.99 1ajr h HIS 317 N 0.47 0.46 -0.95 0.41 2.76 -1.32 0.82 115.15 117.81 1ajr h HIS 317 Ca 0.23 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1ajr h HIS 317 Cb 0.15 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1ajr h HIS 317 CO -0.11 0.40 0.58 1.49 -1.30 0.00 0.00 177.93 178.99 1ajr h GLU 318 N 0.39 1.28 -0.13 5.26 4.81 -0.94 -2.51 114.58 122.74 1ajr h GLU 318 Ca 0.11 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ajr h GLU 318 Cb 0.11 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1ajr h GLU 318 CO -0.01 0.88 0.07 2.35 -0.73 0.00 0.00 179.01 181.56 1ajr h TRP 319 N 1.30 0.19 -0.64 0.92 7.01 -0.39 -2.15 115.95 122.19 1ajr h TRP 319 Ca 0.34 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.41 1ajr h TRP 319 Cb -0.08 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 1ajr h TRP 319 CO 0.00 0.23 0.42 1.79 -2.79 0.00 0.00 178.44 178.09 1ajr h THR 320 N 0.09 0.97 -0.43 2.65 1.35 -0.53 -0.73 112.91 116.28 1ajr h THR 320 Ca 0.05 -0.20 -0.11 0.00 -0.55 0.00 0.00 66.41 65.59 1ajr h THR 320 Cb 0.11 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 66.86 1ajr h THR 320 CO -0.01 0.11 -0.19 1.23 -0.25 0.00 0.00 175.52 176.41 1ajr h GLY 321 N 0.58 0.90 1.04 5.82 0.00 -1.03 -1.32 103.07 109.05 1ajr h GLY 321 Ca 0.28 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1ajr h GLY 321 CO -0.09 0.68 0.07 3.43 0.00 0.00 0.00 176.54 180.63 1ajr h ASN 322 N 0.73 0.94 -0.37 0.19 -0.26 -0.66 -1.19 115.58 114.97 1ajr h ASN 322 Ca 0.11 -0.28 -0.04 0.00 -0.56 0.00 0.00 56.30 55.53 1ajr h ASN 322 Cb 0.71 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1ajr h ASN 322 CO 0.05 0.98 0.07 0.58 -1.06 0.00 0.00 177.43 178.06 1ajr h VAL 323 N 0.87 1.23 -0.70 2.81 2.07 -1.06 -2.67 116.25 118.81 1ajr h VAL 323 Ca 0.17 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1ajr h VAL 323 Cb 0.46 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1ajr h VAL 323 CO 0.02 0.28 0.28 0.50 0.02 0.00 0.00 177.57 178.66 1ajr h LYS 324 N 0.45 1.04 -0.60 1.57 3.64 -1.02 -1.24 116.57 120.42 1ajr h LYS 324 Ca 0.11 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1ajr h LYS 324 Cb 0.34 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1ajr h LYS 324 CO 0.00 0.85 0.26 1.15 -2.27 0.00 0.00 179.45 179.44 1ajr h THR 325 N 1.02 0.84 -0.02 1.00 2.02 -1.00 0.41 112.91 117.18 1ajr h THR 325 Ca 0.24 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1ajr h THR 325 Cb 0.20 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1ajr h THR 325 CO -0.02 0.09 0.01 0.24 0.37 0.00 0.00 175.52 176.20 1ajr h MET 326 N 0.47 0.03 -0.62 6.66 2.86 -1.10 -2.04 114.93 121.20 1ajr h MET 326 Ca 0.29 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1ajr h MET 326 Cb 0.30 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1ajr h MET 326 CO -0.25 0.24 0.39 0.00 1.06 0.00 0.00 176.91 178.34 1ajr h ALA 327 N 0.79 0.78 -0.60 6.32 0.00 -0.87 -2.59 119.26 123.10 1ajr h ALA 327 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ajr h ALA 327 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ajr h ALA 327 CO -0.00 0.24 0.30 -0.44 0.00 0.00 0.00 179.25 179.35 1ajr h ASP 328 N 0.83 0.77 -0.86 0.00 3.32 -0.14 -1.02 116.42 119.32 1ajr h ASP 328 Ca 0.22 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ajr h ASP 328 Cb -0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1ajr h ASP 328 CO -0.04 0.68 0.54 -0.09 -1.72 0.00 0.00 179.24 178.60 1ajr h ARG 329 N 0.81 1.16 -0.25 3.56 2.43 -1.16 -0.27 114.38 120.67 1ajr h ARG 329 Ca 0.21 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1ajr h ARG 329 Cb 0.10 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1ajr h ARG 329 CO -0.03 0.80 -0.02 0.82 -1.51 0.00 0.00 179.97 180.04 1ajr h ILE 330 N 1.19 1.26 -0.89 1.20 2.04 -1.02 -1.50 117.51 119.80 1ajr h ILE 330 Ca 0.31 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1ajr h ILE 330 Cb -0.08 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1ajr h ILE 330 CO -0.06 0.30 0.58 -0.07 0.00 0.00 0.00 178.15 178.90 1ajr h LEU 331 N 0.21 0.99 -0.43 1.44 3.38 -0.93 0.52 115.31 120.49 1ajr h LEU 331 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ajr h LEU 331 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ajr h LEU 331 CO 0.02 0.70 0.23 -1.28 0.09 0.00 0.00 178.44 178.20 1ajr h SER 332 N 1.17 0.54 -0.46 -0.43 0.87 -0.89 0.30 113.55 114.64 1ajr h SER 332 Ca 0.34 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 1ajr h SER 332 Cb -0.08 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1ajr h SER 332 CO -0.09 0.49 -0.09 0.24 -0.53 0.00 0.00 176.83 176.85 1ajr h MET 333 N 0.56 0.92 0.12 2.24 2.86 -0.56 -1.35 114.93 119.72 1ajr h MET 333 Ca 0.15 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ajr h MET 333 Cb 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ajr h MET 333 CO -0.02 0.97 -0.06 0.00 1.06 0.00 0.00 176.91 178.86 1ajr h ARG 334 N 0.83 -0.15 -0.64 1.72 3.08 -0.63 0.81 114.38 119.39 1ajr h ARG 334 Ca 0.14 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1ajr h ARG 334 Cb 0.61 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1ajr h ARG 334 CO 0.04 -0.04 0.39 0.66 -1.07 0.00 0.00 179.97 179.95 1ajr h SER 335 N -0.23 0.63 -0.04 7.04 4.64 -0.79 -1.54 113.55 123.25 1ajr h SER 335 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ajr h SER 335 Cb 0.19 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ajr h SER 335 CO 0.03 0.44 0.01 -0.33 -0.87 0.00 0.00 176.83 176.10 1ajr h GLU 336 N 0.76 0.07 -0.54 4.77 4.39 -1.12 -0.46 114.58 122.45 1ajr h GLU 336 Ca 0.26 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1ajr h GLU 336 Cb 0.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1ajr h GLU 336 CO -0.11 0.31 0.34 1.25 -1.16 0.00 0.00 179.01 179.64 1ajr h LEU 337 N -0.18 0.64 -0.10 1.33 5.85 -0.63 0.10 115.31 122.32 1ajr h LEU 337 Ca 0.01 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ajr h LEU 337 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1ajr h LEU 337 CO 0.00 0.49 0.02 -0.09 -0.34 0.00 0.00 178.44 178.52 1ajr h ARG 338 N 0.73 0.06 -0.48 1.25 2.43 -1.20 -0.08 114.38 117.09 1ajr h ARG 338 Ca 0.20 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ajr h ARG 338 Cb -0.05 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1ajr h ARG 338 CO -0.04 0.04 0.23 0.00 -1.51 0.00 0.00 179.97 178.69 1ajr h ALA 339 N 1.07 0.61 -0.48 2.80 0.00 -0.77 -0.56 119.26 121.93 1ajr h ALA 339 Ca 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1ajr h ALA 339 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ajr h ALA 339 CO -0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 179.25 178.98 1ajr h ARG 340 N 0.45 0.90 -0.21 0.00 3.08 -0.68 0.80 114.38 118.73 1ajr h ARG 340 Ca 0.21 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1ajr h ARG 340 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ajr h ARG 340 CO -0.16 0.98 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.59 1ajr h LEU 341 N 0.76 0.30 0.15 3.04 3.38 -0.68 -0.81 115.31 121.44 1ajr h LEU 341 Ca 0.13 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1ajr h LEU 341 Cb 0.62 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1ajr h LEU 341 CO 0.04 0.40 -1.38 -0.33 0.09 0.00 0.00 178.44 177.26 1ajr h GLU 342 N 0.31 0.33 0.00 1.13 5.08 -0.81 -1.39 114.58 119.22 1ajr h GLU 342 Ca 0.07 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1ajr h GLU 342 Cb 0.31 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ajr h GLU 342 CO 0.01 1.24 -0.20 0.00 -1.00 0.00 0.00 179.01 179.06 1ajr h ALA 343 N 0.46 1.59 0.00 3.43 0.00 -0.45 0.21 119.26 124.50 1ajr h ALA 343 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ajr h ALA 343 Cb 2.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1ajr h ALA 343 CO 0.21 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1ajr n LEU 344 N -4.18 0.00 -3.69 0.00 7.99 -0.35 -4.91 117.00 111.87 1ajr n LEU 344 Ca -0.02 0.39 -0.26 0.00 -0.01 0.00 0.00 56.01 56.11 1ajr n LEU 344 Cb 0.27 -0.39 0.03 0.00 -0.11 0.00 0.00 43.42 43.22 1ajr n LEU 344 CO 0.36 -0.08 -0.09 0.29 -1.51 0.00 0.00 177.39 176.36 1ajr n LYS 345 N -1.39 -2.84 -2.64 3.23 4.01 0.74 -4.93 118.16 114.34 1ajr n LYS 345 Ca 0.08 0.54 -0.41 0.00 -0.51 0.00 0.00 58.31 58.02 1ajr n LYS 345 Cb 0.23 -4.71 -0.04 0.00 -0.51 0.00 0.00 35.03 30.00 1ajr n LYS 345 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ajr s THR 346 N -3.60 4.17 0.32 -0.18 2.01 -0.54 -5.00 115.64 112.81 1ajr s THR 346 Ca 0.24 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.84 1ajr s THR 346 Cb -0.08 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 1ajr s THR 346 CO 0.84 0.33 1.33 -2.16 -0.69 0.00 0.00 174.62 174.27 1ajr s PRO 347 N -0.33 4.33 0.00 4.92 0.04 -1.26 -4.81 135.00 137.90 1ajr s PRO 347 Ca 0.47 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1ajr s PRO 347 Cb -0.26 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1ajr s PRO 347 CO 0.32 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1ajr n GLY 348 N 1.04 1.58 3.81 0.56 0.00 -1.26 -5.01 105.19 105.91 1ajr n GLY 348 Ca 0.01 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1ajr n GLY 348 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ajr s THR 349 N -2.08 5.18 -0.09 2.61 -1.32 -1.26 -5.01 115.64 113.67 1ajr s THR 349 Ca 0.00 0.69 0.09 0.00 -1.21 0.00 0.00 61.69 61.26 1ajr s THR 349 Cb 0.00 -3.66 0.15 0.00 -1.51 0.00 0.00 72.50 67.48 1ajr s THR 349 CO 0.00 0.52 1.08 0.79 -2.21 0.00 0.00 174.62 174.80 1ajr n TRP 350 N 2.40 0.05 0.28 9.09 7.02 -1.26 -4.70 117.44 130.32 1ajr n TRP 350 Ca -0.14 -0.72 0.16 0.00 -1.02 0.00 0.00 57.50 55.79 1ajr n TRP 350 Cb 0.53 -0.10 0.80 0.00 -2.42 0.00 0.00 31.31 30.12 1ajr n TRP 350 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 1ajr h ASN 351 N 0.13 0.00 -0.26 -0.99 -1.07 -1.97 -2.12 115.58 109.30 1ajr h ASN 351 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ajr h ASN 351 Cb 0.74 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 1ajr h ASN 351 CO 0.01 0.06 0.16 1.12 0.07 0.00 0.00 177.43 178.85 1ajr h HIS 352 N 0.00 0.34 -0.06 4.14 2.07 -1.88 0.09 115.15 119.86 1ajr h HIS 352 Ca -0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ajr h HIS 352 Cb 0.36 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 1ajr h HIS 352 CO 0.00 0.23 0.01 0.82 -3.07 0.00 0.00 177.93 175.92 1ajr h ILE 353 N 0.36 1.03 0.00 6.12 1.08 -1.75 0.09 117.51 124.44 1ajr h ILE 353 Ca 0.10 -0.10 -0.23 0.00 -0.39 0.00 0.00 64.86 64.24 1ajr h ILE 353 Cb -0.02 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1ajr h ILE 353 CO -0.02 0.04 -2.14 0.41 -0.69 0.00 0.00 178.15 175.75 1ajr n THR 354 N -4.51 0.93 0.13 -0.27 -1.04 -0.68 -4.23 114.28 104.62 1ajr n THR 354 Ca -0.02 -0.72 0.01 0.00 -2.04 0.00 0.00 64.05 61.27 1ajr n THR 354 Cb 0.10 -0.36 0.03 0.00 -1.82 0.00 0.00 70.33 68.29 1ajr n THR 354 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ajr h ASP 355 N 0.00 0.00 -4.18 8.00 3.32 -0.69 -3.45 116.42 119.42 1ajr h ASP 355 Ca -0.32 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.23 1ajr h ASP 355 Cb 1.77 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.39 1ajr h ASP 355 CO 0.02 0.59 0.38 -1.10 -1.72 0.00 0.00 179.24 177.42 1ajr s GLN 356 N -2.98 3.25 -0.00 3.56 -0.21 -0.01 -4.84 119.66 118.42 1ajr s GLN 356 Ca 0.03 1.29 0.05 0.00 0.02 0.00 0.00 55.36 56.75 1ajr s GLN 356 Cb 0.08 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 1ajr s GLN 356 CO 0.75 -0.88 -0.17 0.42 -2.12 0.00 0.00 175.29 173.29 1ajr s ILE 357 N -2.34 1.37 0.00 1.08 1.01 0.38 -4.99 121.20 117.72 1ajr s ILE 357 Ca 0.65 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1ajr s ILE 357 Cb -0.18 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1ajr s ILE 357 CO 0.36 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1ajr n GLY 358 N 2.51 -1.77 0.21 6.18 0.00 -1.24 -4.46 105.19 106.61 1ajr n GLY 358 Ca -0.15 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 1ajr n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ajr h MET 359 N 0.00 0.67 -5.78 1.61 2.86 -1.91 -3.46 114.93 108.91 1ajr h MET 359 Ca 0.00 -0.52 -0.62 0.00 -2.06 0.00 0.00 59.70 56.49 1ajr h MET 359 Cb 0.00 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 1ajr h MET 359 CO 0.00 1.14 -0.32 -0.06 1.06 0.00 0.00 176.91 178.74 1ajr s PHE 360 N -3.77 3.63 -0.04 -0.22 0.08 -1.26 -0.37 117.98 116.03 1ajr s PHE 360 Ca -0.09 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.73 1ajr s PHE 360 Cb 0.10 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ajr s PHE 360 CO 0.88 0.59 -0.02 0.45 -0.10 0.00 0.00 175.22 177.02 1ajr s SER 361 N -0.74 0.77 -0.55 1.36 0.15 -0.62 -3.43 113.70 110.64 1ajr s SER 361 Ca 0.19 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.55 1ajr s SER 361 Cb -0.14 -0.33 0.05 0.00 -1.71 0.00 0.00 66.02 63.88 1ajr s SER 361 CO 0.08 -0.09 0.86 -0.36 1.20 0.00 0.00 173.24 174.93 1ajr s PHE 362 N 1.09 2.85 0.30 3.44 0.40 -0.98 -1.17 117.98 123.91 1ajr s PHE 362 Ca -0.09 -0.21 0.17 0.00 -0.60 0.00 0.00 56.93 56.21 1ajr s PHE 362 Cb -0.14 -3.95 0.78 0.00 0.51 0.00 0.00 43.02 40.22 1ajr s PHE 362 CO -0.01 -1.30 1.81 1.79 0.70 0.00 0.00 175.22 178.21 1ajr h THR 363 N 5.97 1.05 0.00 0.64 1.35 -1.73 -3.47 112.91 116.73 1ajr h THR 363 Ca -0.27 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1ajr h THR 363 Cb 1.08 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1ajr h THR 363 CO 1.06 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 1ajr n GLY 364 N -0.20 0.66 3.77 5.82 0.00 -1.26 -5.02 105.19 108.96 1ajr n GLY 364 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1ajr n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajr s LEU 365 N 0.00 4.44 0.72 0.99 1.43 -1.26 -5.03 118.68 119.97 1ajr s LEU 365 Ca 0.00 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1ajr s LEU 365 Cb 0.00 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1ajr s LEU 365 CO 0.00 -0.41 1.11 0.54 0.23 0.00 0.00 176.35 177.82 1ajr s ASN 366 N -0.72 5.31 0.50 2.29 2.20 -1.26 -4.29 114.94 118.97 1ajr s ASN 366 Ca 0.48 1.09 0.23 0.00 -0.94 0.00 0.00 52.86 53.72 1ajr s ASN 366 Cb -0.36 -1.84 1.34 0.00 -2.00 0.00 0.00 41.25 38.39 1ajr s ASN 366 CO 0.46 -1.43 2.07 1.55 -2.94 0.00 0.00 177.10 176.82 1ajr h PRO 367 N -0.72 0.00 -0.16 3.55 0.13 -1.94 -0.80 132.00 132.06 1ajr h PRO 367 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ajr h PRO 367 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ajr h PRO 367 CO 0.64 0.12 0.06 -0.22 -0.23 0.00 0.00 178.00 178.37 1ajr h LYS 368 N 0.00 0.24 0.00 0.86 1.63 -1.91 0.45 116.57 117.84 1ajr h LYS 368 Ca -0.00 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1ajr h LYS 368 Cb 0.27 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1ajr h LYS 368 CO 0.02 0.35 -0.29 1.96 -3.45 0.00 0.00 179.45 178.03 1ajr h GLN 369 N 0.09 0.00 -0.12 1.90 4.20 -1.63 -2.90 115.11 116.64 1ajr h GLN 369 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1ajr h GLN 369 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ajr h GLN 369 CO -0.00 0.29 -0.28 0.28 -0.67 0.00 0.00 178.83 178.45 1ajr h VAL 370 N 0.00 1.38 -0.68 -0.54 2.07 -0.85 -2.55 116.25 115.08 1ajr h VAL 370 Ca -0.00 -1.58 0.14 0.00 0.82 0.00 0.00 66.70 66.09 1ajr h VAL 370 Cb 0.65 2.11 -0.11 0.00 -1.52 0.00 0.00 31.29 32.42 1ajr h VAL 370 CO 0.04 0.46 0.08 -0.08 0.02 0.00 0.00 177.57 178.09 1ajr h GLU 371 N -0.03 0.18 0.70 1.57 4.81 -0.72 -0.07 114.58 121.01 1ajr h GLU 371 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ajr h GLU 371 Cb 0.88 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1ajr h GLU 371 CO 0.06 0.12 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.20 1ajr h TYR 372 N 0.18 -0.87 -1.01 0.92 5.03 -1.50 0.13 116.97 119.85 1ajr h TYR 372 Ca 0.37 -0.02 0.24 0.00 2.58 0.00 0.00 58.73 61.89 1ajr h TYR 372 Cb 0.62 0.29 -0.10 0.00 1.55 0.00 0.00 36.73 39.09 1ajr h TYR 372 CO -0.32 -0.52 0.64 -0.07 -1.32 0.00 0.00 178.16 176.56 1ajr h LEU 373 N -1.02 0.55 0.09 2.82 3.38 -0.89 0.69 115.31 120.94 1ajr h LEU 373 Ca -0.10 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ajr h LEU 373 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ajr h LEU 373 CO 0.16 0.14 -0.04 0.40 0.09 0.00 0.00 178.44 179.19 1ajr h ILE 374 N 0.51 0.57 0.83 1.22 2.04 -0.86 0.13 117.51 121.94 1ajr h ILE 374 Ca 0.58 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1ajr h ILE 374 Cb 1.28 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1ajr h ILE 374 CO -0.32 0.18 -0.45 0.78 0.00 0.00 0.00 178.15 178.33 1ajr h ASN 375 N -0.99 -1.11 0.13 1.72 2.35 -0.30 -3.02 115.58 114.37 1ajr h ASN 375 Ca -0.01 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 1ajr h ASN 375 Cb 0.38 0.31 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1ajr h ASN 375 CO 0.02 -0.73 -0.93 1.56 -1.65 0.00 0.00 177.43 175.70 1ajr h GLN 376 N -1.18 0.27 0.00 0.81 1.08 0.20 -3.40 115.11 112.89 1ajr h GLN 376 Ca -0.11 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1ajr h GLN 376 Cb 0.93 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1ajr h GLN 376 CO 0.15 1.22 -1.31 1.63 -0.95 0.00 0.00 178.83 179.58 1ajr n LYS 377 N -4.10 0.26 -2.42 1.46 4.76 -0.94 -4.98 118.16 112.20 1ajr n LYS 377 Ca -0.16 -0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.14 1ajr n LYS 377 Cb 0.83 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.50 1ajr n LYS 377 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ajr n HIS 378 N -1.83 -0.58 -3.87 2.13 8.25 -0.45 -4.58 115.22 114.28 1ajr n HIS 378 Ca 0.01 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.25 1ajr n HIS 378 Cb 0.43 -2.13 -0.13 0.00 1.12 0.00 0.00 29.99 29.27 1ajr n HIS 378 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ajr s ILE 379 N -2.65 3.28 -0.27 1.59 1.01 -0.09 0.04 121.20 124.11 1ajr s ILE 379 Ca 0.08 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1ajr s ILE 379 Cb -0.03 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1ajr s ILE 379 CO 0.10 -0.01 0.52 -0.31 0.00 0.00 0.00 174.94 175.23 1ajr s TYR 380 N 1.34 3.26 0.14 3.97 1.51 0.26 -2.91 117.35 124.93 1ajr s TYR 380 Ca -0.02 0.61 -0.15 0.00 -1.01 0.00 0.00 57.07 56.51 1ajr s TYR 380 Cb -0.18 -2.74 0.02 0.00 -0.11 0.00 0.00 41.96 38.95 1ajr s TYR 380 CO -0.01 -0.30 0.39 -0.48 -1.11 0.00 0.00 175.55 174.05 1ajr s LEU 381 N 2.33 0.50 0.61 -1.29 2.34 -1.26 0.17 118.68 122.08 1ajr s LEU 381 Ca 0.21 -0.47 -0.16 0.00 0.06 0.00 0.00 54.13 53.77 1ajr s LEU 381 Cb -0.16 1.74 -0.03 0.00 -0.56 0.00 0.00 46.19 47.19 1ajr s LEU 381 CO 0.09 -0.90 1.09 -0.76 -1.06 0.00 0.00 176.35 174.82 1ajr s LEU 382 N -2.85 3.51 0.32 1.48 1.43 -1.19 -4.92 118.68 116.46 1ajr s LEU 382 Ca 0.07 1.96 0.24 0.00 -1.03 0.00 0.00 54.13 55.37 1ajr s LEU 382 Cb 0.02 -4.55 1.18 0.00 0.03 0.00 0.00 46.19 42.86 1ajr s LEU 382 CO -0.08 -1.36 1.73 1.55 0.23 0.00 0.00 176.35 178.42 1ajr h PRO 383 N 0.44 0.00 0.00 1.29 0.13 -1.96 -0.78 132.00 131.12 1ajr h PRO 383 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1ajr h PRO 383 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ajr h PRO 383 CO 0.56 0.00 -0.21 0.66 -0.23 0.00 0.00 178.00 178.78 1ajr h SER 384 N 0.00 0.00 0.00 1.44 4.64 -1.91 -3.32 113.55 114.40 1ajr h SER 384 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ajr h SER 384 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ajr h SER 384 CO 0.00 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1ajr n GLY 385 N 0.22 0.90 3.74 -0.77 0.00 -0.30 -4.77 105.19 104.21 1ajr n GLY 385 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ajr n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ajr s ARG 386 N -0.91 4.59 0.17 1.61 3.52 -1.25 -2.01 118.95 124.67 1ajr s ARG 386 Ca 0.00 1.72 0.07 0.00 -0.13 0.00 0.00 55.73 57.39 1ajr s ARG 386 Cb 0.00 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1ajr s ARG 386 CO 0.00 0.06 -0.15 0.96 -0.81 0.00 0.00 175.30 175.36 1ajr s ILE 387 N -0.19 1.63 -0.29 4.11 -4.36 -0.32 -3.16 121.20 118.62 1ajr s ILE 387 Ca 0.50 -1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 58.81 1ajr s ILE 387 Cb -0.29 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1ajr s ILE 387 CO 0.35 -0.47 0.15 0.21 0.24 0.00 0.00 174.94 175.42 1ajr s ASN 388 N -2.88 5.66 0.62 4.36 3.84 0.15 -1.59 114.94 125.10 1ajr s ASN 388 Ca 0.16 -0.25 0.39 0.00 0.21 0.00 0.00 52.86 53.37 1ajr s ASN 388 Cb -0.03 -2.04 2.01 0.00 -0.55 0.00 0.00 41.25 40.64 1ajr s ASN 388 CO 0.05 -0.11 2.24 0.24 -2.79 0.00 0.00 177.10 176.73 1ajr h MET 389 N 8.34 0.00 0.00 0.43 2.86 -1.04 -1.61 114.93 123.91 1ajr h MET 389 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1ajr h MET 389 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ajr h MET 389 CO 0.59 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.57 1ajr n GLY 391 N 0.35 -1.58 3.85 0.00 0.00 -0.61 -4.53 105.19 102.68 1ajr n GLY 391 Ca 0.04 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1ajr n GLY 391 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajr s LEU 392 N -3.89 4.34 0.11 0.99 1.43 -0.84 -4.77 118.68 116.05 1ajr s LEU 392 Ca 0.11 0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1ajr s LEU 392 Cb 0.15 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1ajr s LEU 392 CO 0.59 0.13 0.11 0.42 0.23 0.00 0.00 176.35 177.82 1ajr s THR 393 N -1.44 0.13 0.58 5.49 -4.23 -1.26 -4.87 115.64 110.04 1ajr s THR 393 Ca 0.36 -1.63 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1ajr s THR 393 Cb -0.15 -1.72 0.38 0.00 1.34 0.00 0.00 72.50 72.35 1ajr s THR 393 CO 0.19 -0.61 1.98 0.71 -0.54 0.00 0.00 174.62 176.35 1ajr h THR 394 N 2.85 0.45 0.01 3.99 1.35 -1.98 -0.58 112.91 119.01 1ajr h THR 394 Ca -0.34 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.28 1ajr h THR 394 Cb 1.19 0.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 1ajr h THR 394 CO 0.58 0.00 -1.25 0.07 -0.25 0.00 0.00 175.52 174.67 1ajr h LYS 395 N 0.00 0.02 -0.01 4.72 -0.00 -1.96 -3.37 116.57 115.98 1ajr h LYS 395 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.79 1ajr h LYS 395 Cb 0.90 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.15 1ajr h LYS 395 CO -0.00 0.86 -0.26 0.27 -0.00 0.00 0.00 179.45 180.31 1ajr n ASN 396 N -3.27 1.27 -0.28 7.07 0.23 -0.74 -4.65 115.26 114.88 1ajr n ASN 396 Ca -0.06 -1.13 0.10 0.00 -0.53 0.00 0.00 54.58 52.95 1ajr n ASN 396 Cb 0.98 0.51 0.25 0.00 -2.08 0.00 0.00 39.78 39.43 1ajr n ASN 396 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1ajr h LEU 397 N 1.20 0.13 0.03 -4.53 5.85 -1.30 -0.82 115.31 115.87 1ajr h LEU 397 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ajr h LEU 397 Cb 0.39 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ajr h LEU 397 CO 0.00 -0.04 -0.01 0.44 -0.34 0.00 0.00 178.44 178.48 1ajr h ASP 398 N 0.31 -0.03 -0.53 1.25 5.19 -1.84 -2.60 116.42 118.17 1ajr h ASP 398 Ca 0.49 -0.46 0.10 0.00 -0.62 0.00 0.00 57.03 56.54 1ajr h ASP 398 Cb 0.90 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.31 1ajr h ASP 398 CO -0.54 0.45 -0.29 0.22 -3.12 0.00 0.00 179.24 175.96 1ajr h TYR 399 N -0.53 -0.78 0.41 4.55 3.20 -1.66 0.16 116.97 122.32 1ajr h TYR 399 Ca -0.00 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ajr h TYR 399 Cb 0.49 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1ajr h TYR 399 CO 0.09 -0.36 -0.35 0.28 -1.64 0.00 0.00 178.16 176.18 1ajr h VAL 400 N -0.16 0.28 -0.56 1.81 2.07 -1.23 0.19 116.25 118.65 1ajr h VAL 400 Ca 0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1ajr h VAL 400 Cb 0.53 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1ajr h VAL 400 CO -0.62 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.12 1ajr h ALA 401 N -0.33 0.68 0.14 1.67 0.00 -1.02 0.31 119.26 120.70 1ajr h ALA 401 Ca -0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ajr h ALA 401 Cb 0.67 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ajr h ALA 401 CO -0.03 -0.27 -0.25 1.15 0.00 0.00 0.00 179.25 179.85 1ajr h THR 402 N 0.30 0.44 -0.47 0.00 2.02 -0.40 0.43 112.91 115.23 1ajr h THR 402 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 1ajr h THR 402 Cb 0.39 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1ajr h THR 402 CO -0.34 0.00 0.24 0.28 0.37 0.00 0.00 175.52 176.07 1ajr h SER 403 N -0.47 0.57 -0.34 4.18 0.02 0.16 -1.87 113.55 115.80 1ajr h SER 403 Ca 0.02 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1ajr h SER 403 Cb 0.49 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1ajr h SER 403 CO -0.13 0.48 -0.25 0.40 -1.14 0.00 0.00 176.83 176.19 1ajr h ILE 404 N 0.65 1.29 -0.21 3.27 2.04 0.07 -0.99 117.51 123.64 1ajr h ILE 404 Ca 0.17 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.67 1ajr h ILE 404 Cb 0.04 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1ajr h ILE 404 CO -0.03 0.46 -0.05 -0.74 0.00 0.00 0.00 178.15 177.80 1ajr h HIS 405 N 0.55 -0.10 0.37 1.37 2.76 -0.26 -1.70 115.15 118.14 1ajr h HIS 405 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1ajr h HIS 405 Cb 0.81 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 1ajr h HIS 405 CO 0.06 -0.08 -0.22 0.93 -1.30 0.00 0.00 177.93 177.32 1ajr h GLU 406 N 0.01 -0.54 -0.73 5.26 5.08 -1.27 -0.79 114.58 121.59 1ajr h GLU 406 Ca 0.10 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1ajr h GLU 406 Cb 0.15 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.42 1ajr h GLU 406 CO -0.21 -0.36 -0.56 0.00 -1.00 0.00 0.00 179.01 176.88 1ajr h ALA 407 N 0.04 -0.59 -0.03 3.43 0.00 -0.90 3.36 119.26 124.57 1ajr h ALA 407 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ajr h ALA 407 Cb 0.46 1.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ajr h ALA 407 CO 0.04 -0.98 0.03 0.28 0.00 0.00 0.00 179.25 178.62 1ajr h VAL 408 N -0.18 0.76 0.00 0.00 2.07 -1.22 0.13 116.25 117.81 1ajr h VAL 408 Ca 0.14 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.26 1ajr h VAL 408 Cb 0.51 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1ajr h VAL 408 CO -0.78 0.00 -2.14 0.35 0.02 0.00 0.00 177.57 175.02 1ajr n THR 409 N -4.21 1.53 -0.02 2.57 -2.24 0.18 -4.62 114.28 107.48 1ajr n THR 409 Ca -0.02 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1ajr n THR 409 Cb 0.12 -1.93 -0.08 0.00 -2.10 0.00 0.00 70.33 66.35 1ajr n THR 409 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ajr h LYS 410 N -0.99 0.12 -6.21 -0.78 1.57 0.59 -3.44 116.57 107.44 1ajr h LYS 410 Ca -0.59 -0.05 -0.64 0.00 -1.87 0.00 0.00 60.65 57.51 1ajr h LYS 410 Cb 1.52 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.73 1ajr h LYS 410 CO -0.35 0.44 -0.61 0.42 -0.57 0.00 0.00 179.45 178.78 1ajr s ILE 411 N -4.78 4.46 0.00 1.86 1.01 0.45 -5.05 121.20 119.15 1ajr s ILE 411 Ca -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1ajr s ILE 411 Cb 0.04 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1ajr s ILE 411 CO 0.69 0.11 0.00 1.67 0.00 0.00 0.00 174.94 177.41