#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 0.14 -0.92 0.00 -0.02 -1.26 -4.85 135.00 128.10 1ajr n PRO 2 Ca 0.00 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 1ajr n PRO 2 Cb 0.00 -1.57 0.16 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.03 0.85 0.52 0.52 0.04 -1.26 -4.94 135.00 131.76 1ajr s PRO 3 Ca 0.95 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 1ajr s PRO 3 Cb -1.30 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1ajr s PRO 3 CO 0.64 -2.60 1.26 0.45 0.04 0.00 0.00 177.00 176.78 1ajr n SER 4 N -4.17 2.29 0.10 6.66 2.88 -1.26 -4.86 113.62 115.27 1ajr n SER 4 Ca 0.08 0.99 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 1ajr n SER 4 Cb 0.54 -1.52 0.44 0.00 -0.75 0.00 0.00 64.21 62.92 1ajr n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ajr n VAL 5 N -0.91 0.98 -0.17 2.46 0.24 -1.26 -1.65 118.33 118.02 1ajr n VAL 5 Ca 0.10 0.35 0.10 0.00 -2.04 0.00 0.00 64.34 62.84 1ajr n VAL 5 Cb 0.43 -1.26 0.25 0.00 -1.47 0.00 0.00 33.84 31.79 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 -2.06 0.72 -0.12 6.34 3.72 -1.26 -4.64 117.46 120.16 1ajr n PHE 6 Ca 0.02 -0.44 0.11 0.00 -0.05 0.00 0.00 57.45 57.09 1ajr n PHE 6 Cb 0.17 -0.01 0.46 0.00 -0.94 0.00 0.00 39.48 39.16 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 3.64 1.95 -0.66 4.37 0.00 -1.67 -2.59 119.26 124.30 1ajr h ALA 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ajr h ALA 7 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ajr h ALA 7 CO 0.00 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.55 1ajr n GLU 8 N -4.48 2.87 -2.54 0.00 1.02 -1.26 -4.92 120.64 111.33 1ajr n GLU 8 Ca 0.11 -2.59 -0.43 0.00 -0.02 0.00 0.00 57.16 54.23 1ajr n GLU 8 Cb 0.36 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.11 4.47 0.56 2.62 1.01 -0.98 -5.01 120.40 121.96 1ajr s VAL 9 Ca 0.45 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 64.05 1ajr s VAL 9 Cb 0.24 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 1ajr s VAL 9 CO 0.29 -0.13 1.01 -2.16 0.00 0.00 0.00 175.10 174.11 1ajr s PRO 10 N 3.13 3.73 -0.04 2.72 0.04 -1.26 -5.00 135.00 138.32 1ajr s PRO 10 Ca 0.50 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1ajr s PRO 10 Cb -0.19 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1ajr s PRO 10 CO 0.12 -0.46 1.26 -1.14 0.04 0.00 0.00 177.00 176.82 1ajr s GLN 11 N -4.38 4.33 0.55 4.56 2.00 -1.26 -5.00 119.66 120.46 1ajr s GLN 11 Ca 0.59 1.76 -0.18 0.00 -2.00 0.00 0.00 55.36 55.53 1ajr s GLN 11 Cb -0.11 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.08 1ajr s GLN 11 CO 0.39 -0.49 1.08 0.00 -0.50 0.00 0.00 175.29 175.77 1ajr s ALA 12 N 2.27 2.73 0.29 1.58 0.00 -1.26 -4.99 121.76 122.39 1ajr s ALA 12 Ca 0.58 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1ajr s ALA 12 Cb -0.27 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1ajr s ALA 12 CO 0.23 -0.71 1.11 -0.65 0.00 0.00 0.00 175.76 175.74 1ajr s GLN 13 N -3.55 4.59 0.49 0.00 -0.21 -1.26 -5.01 119.66 114.69 1ajr s GLN 13 Ca 0.68 1.82 -0.15 0.00 0.02 0.00 0.00 55.36 57.74 1ajr s GLN 13 Cb -0.19 -3.14 -0.07 0.00 1.00 0.00 0.00 33.01 30.60 1ajr s GLN 13 CO 0.29 0.16 0.93 -1.25 -2.12 0.00 0.00 175.29 173.29 1ajr s PRO 14 N -1.54 3.90 0.11 2.91 0.05 -1.26 -5.04 135.00 134.13 1ajr s PRO 14 Ca 0.46 0.82 -0.24 0.00 0.05 0.00 0.00 61.00 62.09 1ajr s PRO 14 Cb -0.32 -2.20 -0.07 0.00 0.05 0.00 0.00 34.50 31.96 1ajr s PRO 14 CO 0.41 -0.21 0.73 0.54 0.05 0.00 0.00 177.00 178.52 1ajr s VAL 15 N -2.57 4.55 0.17 -0.36 0.11 -1.26 -4.98 120.40 116.06 1ajr s VAL 15 Ca 0.57 1.59 -0.26 0.00 -2.93 0.00 0.00 61.98 60.95 1ajr s VAL 15 Cb -0.10 -4.09 0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1ajr s VAL 15 CO 0.32 0.48 1.56 0.25 -3.33 0.00 0.00 175.10 174.38 1ajr h LEU 16 N 4.79 -1.57 -1.38 2.54 7.12 -2.01 -1.79 115.31 123.01 1ajr h LEU 16 Ca -0.46 0.26 0.20 0.00 0.13 0.00 0.00 57.88 58.00 1ajr h LEU 16 Cb 1.21 0.72 -0.08 0.00 -0.53 0.00 0.00 40.66 41.98 1ajr h LEU 16 CO 0.67 -0.33 0.60 -0.37 -0.13 0.00 0.00 178.44 178.89 1ajr h VAL 17 N -0.20 0.69 -0.53 1.05 -1.51 -1.98 -1.08 116.25 112.70 1ajr h VAL 17 Ca 0.19 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1ajr h VAL 17 Cb 0.55 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.83 1ajr h VAL 17 CO -0.73 0.09 0.28 -0.26 -1.23 0.00 0.00 177.57 175.72 1ajr h PHE 18 N 0.51 0.73 -0.08 5.19 0.04 -1.73 -1.49 116.94 120.11 1ajr h PHE 18 Ca 0.50 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.23 1ajr h PHE 18 Cb 1.09 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1ajr h PHE 18 CO -0.00 0.55 -0.01 -0.22 -0.60 0.00 0.00 178.31 178.03 1ajr h LYS 19 N 0.70 0.15 -0.72 1.51 3.64 -1.27 -1.30 116.57 119.29 1ajr h LYS 19 Ca 0.18 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.66 1ajr h LYS 19 Cb 0.06 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 1ajr h LYS 19 CO -0.03 0.44 0.20 1.25 -2.27 0.00 0.00 179.45 179.04 1ajr h LEU 20 N -0.15 0.09 -0.86 5.20 5.85 -1.18 0.68 115.31 124.94 1ajr h LEU 20 Ca 0.02 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1ajr h LEU 20 Cb 0.37 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1ajr h LEU 20 CO 0.01 0.01 -0.39 0.40 -0.34 0.00 0.00 178.44 178.13 1ajr h ILE 21 N 0.31 1.30 -0.24 4.05 2.04 -1.19 0.11 117.51 123.89 1ajr h ILE 21 Ca 0.40 -1.50 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 1ajr h ILE 21 Cb 0.65 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1ajr h ILE 21 CO -0.46 0.46 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 1ajr h ALA 22 N 1.28 0.34 0.09 1.87 0.00 0.48 -1.69 119.26 121.63 1ajr h ALA 22 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ajr h ALA 22 Cb 0.82 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1ajr h ALA 22 CO 0.07 0.23 -0.39 -0.44 0.00 0.00 0.00 179.25 178.71 1ajr h ASP 23 N 0.24 -1.15 -0.62 0.00 3.32 0.47 -1.89 116.42 116.78 1ajr h ASP 23 Ca 0.05 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.36 1ajr h ASP 23 Cb 0.66 0.44 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 1ajr h ASP 23 CO 0.04 -0.46 -0.01 0.15 -1.72 0.00 0.00 179.24 177.24 1ajr h PHE 24 N -0.60 -0.06 -0.64 4.55 3.57 -0.71 -2.11 116.94 120.94 1ajr h PHE 24 Ca 0.03 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1ajr h PHE 24 Cb 0.65 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1ajr h PHE 24 CO -0.36 -0.18 0.34 0.00 -2.23 0.00 0.00 178.31 175.89 1ajr h ARG 25 N 0.11 0.61 0.00 1.11 3.08 -0.62 -2.77 114.38 115.89 1ajr h ARG 25 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1ajr h ARG 25 Cb 0.53 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1ajr h ARG 25 CO -0.54 0.40 0.00 0.39 -1.07 0.00 0.00 179.97 179.15 1ajr n GLU 26 N -4.83 0.35 -2.56 0.04 -0.58 -0.77 -4.84 120.64 107.44 1ajr n GLU 26 Ca 0.08 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.41 1ajr n GLU 26 Cb 0.19 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1ajr n GLU 26 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ajr s ASP 27 N -2.63 7.04 0.31 1.62 -1.08 -0.97 -4.93 116.67 116.03 1ajr s ASP 27 Ca 0.25 1.52 0.16 0.00 -0.52 0.00 0.00 52.55 53.96 1ajr s ASP 27 Cb 0.19 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.47 1ajr s ASP 27 CO 0.45 -0.69 1.58 1.55 0.52 0.00 0.00 175.17 178.57 1ajr h PRO 28 N 7.73 0.00 -6.28 4.34 0.13 -1.89 -3.46 132.00 132.57 1ajr h PRO 28 Ca -0.23 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.25 1ajr h PRO 28 Cb 1.08 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.24 1ajr h PRO 28 CO 0.97 0.49 0.94 -3.47 -0.23 0.00 0.00 178.00 176.70 1ajr n ASP 29 N -3.41 2.94 0.19 1.44 -0.08 -1.26 -4.87 116.55 111.49 1ajr n ASP 29 Ca 0.01 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.45 1ajr n ASP 29 Cb 0.64 -1.30 0.64 0.00 2.34 0.00 0.00 41.12 43.43 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 7.71 0.00 -0.00 -0.67 0.13 -2.02 -2.98 132.00 134.17 1ajr h PRO 30 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ajr h PRO 30 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ajr h PRO 30 CO 0.93 0.00 -0.39 0.54 -0.23 0.00 0.00 178.00 178.84 1ajr n ARG 31 N -2.45 0.06 -1.39 0.86 1.74 -1.26 -4.99 116.66 109.23 1ajr n ARG 31 Ca -0.00 -0.03 -0.51 0.00 -0.77 0.00 0.00 57.85 56.54 1ajr n ARG 31 Cb 0.15 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1ajr n ARG 31 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ajr n LYS 32 N -1.44 0.00 -4.17 5.56 4.81 -1.13 -4.92 118.16 116.87 1ajr n LYS 32 Ca 0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.32 1ajr n LYS 32 Cb 0.33 -1.19 -0.16 0.00 0.02 0.00 0.00 35.03 34.03 1ajr n LYS 32 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ajr s VAL 33 N -0.50 0.50 -0.46 3.15 1.01 -0.38 -5.02 120.40 118.70 1ajr s VAL 33 Ca 0.74 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 1ajr s VAL 33 Cb -1.05 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 34.93 1ajr s VAL 33 CO 0.54 0.20 0.34 0.21 0.00 0.00 0.00 175.10 176.39 1ajr s ASN 34 N 0.64 5.74 0.00 3.32 2.47 -1.26 -1.05 114.94 124.79 1ajr s ASN 34 Ca -0.08 -1.78 0.23 0.00 0.42 0.00 0.00 52.86 51.65 1ajr s ASN 34 Cb -0.11 -2.03 0.44 0.00 -1.45 0.00 0.00 41.25 38.10 1ajr s ASN 34 CO 0.00 -0.66 1.40 0.18 -3.72 0.00 0.00 177.10 174.30 1ajr n LEU 35 N 4.94 3.04 -0.65 3.21 4.32 0.13 -4.10 117.00 127.89 1ajr n LEU 35 Ca -0.09 -1.23 0.13 0.00 -0.02 0.00 0.00 56.01 54.80 1ajr n LEU 35 Cb 0.41 -0.16 0.27 0.00 -1.62 0.00 0.00 43.42 42.32 1ajr n LEU 35 CO 0.43 0.61 0.68 0.61 -1.22 0.00 0.00 177.39 178.50 1ajr n GLY 36 N 1.41 0.35 3.70 -0.72 0.00 -0.88 -1.41 105.19 107.63 1ajr n GLY 36 Ca 0.18 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 0.55 4.12 -0.95 1.61 3.14 -1.26 -4.95 118.33 120.59 1ajr n VAL 37 Ca 0.15 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 61.12 1ajr n VAL 37 Cb 0.47 -1.46 0.22 0.00 -1.06 0.00 0.00 33.84 32.02 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 0.97 4.14 3.39 7.55 0.00 -1.26 -4.65 105.19 115.33 1ajr n GLY 38 Ca 0.13 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.70 0.56 0.39 4.61 0.00 -1.26 -5.14 121.76 118.22 1ajr s ALA 39 Ca 0.38 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 1ajr s ALA 39 Cb 0.31 1.24 -0.09 0.00 0.00 0.00 0.00 23.12 24.58 1ajr s ALA 39 CO 0.08 -0.72 1.31 -0.47 0.00 0.00 0.00 175.76 175.95 1ajr s TYR 40 N -3.98 2.85 -0.01 0.00 5.04 -1.26 -4.88 117.35 115.10 1ajr s TYR 40 Ca 0.31 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1ajr s TYR 40 Cb 0.03 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1ajr s TYR 40 CO 0.12 -2.08 0.07 1.03 -1.34 0.00 0.00 175.55 173.35 1ajr s ARG 41 N -2.17 0.19 1.00 4.97 1.81 -1.26 -4.43 118.95 119.06 1ajr s ARG 41 Ca 0.55 -0.10 -0.17 0.00 -1.72 0.00 0.00 55.73 54.29 1ajr s ARG 41 Cb -0.38 0.08 0.22 0.00 -0.45 0.00 0.00 34.95 34.41 1ajr s ARG 41 CO 0.50 -0.03 1.31 0.95 -0.68 0.00 0.00 175.30 177.35 1ajr s THR 42 N -0.45 1.95 -0.22 0.02 -4.23 0.27 -4.86 115.64 108.12 1ajr s THR 42 Ca -0.05 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.71 1ajr s THR 42 Cb -0.03 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.12 1ajr s THR 42 CO 0.00 0.00 1.77 -0.78 -0.54 0.00 0.00 174.62 175.07 1ajr h ASP 43 N -1.78 0.00 -0.71 3.99 3.58 -1.89 0.24 116.42 119.85 1ajr h ASP 43 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1ajr h ASP 43 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1ajr h ASP 43 CO 0.36 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 177.19 1ajr n ASP 44 N -2.39 4.44 -2.24 2.28 8.00 -1.26 -4.62 116.55 120.76 1ajr n ASP 44 Ca 0.00 -2.24 -0.19 0.00 0.71 0.00 0.00 54.79 53.08 1ajr n ASP 44 Cb 0.14 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -5.08 2.30 0.78 0.00 -1.52 -1.26 -4.81 119.66 110.07 1ajr s GLN 46 Ca 0.07 -1.23 -0.13 0.00 -1.95 0.00 0.00 55.36 52.13 1ajr s GLN 46 Cb -0.03 -2.26 0.07 0.00 -0.22 0.00 0.00 33.01 30.57 1ajr s GLN 46 CO 0.09 0.42 1.15 -2.14 -0.25 0.00 0.00 175.29 174.57 1ajr s PRO 47 N -3.13 1.91 -0.14 2.91 0.02 -1.26 -0.56 135.00 134.75 1ajr s PRO 47 Ca 0.28 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1ajr s PRO 47 Cb -0.08 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.65 1ajr s PRO 47 CO 0.18 -1.96 -0.03 -0.46 -0.33 0.00 0.00 177.00 174.40 1ajr s TRP 48 N -2.41 1.31 -0.23 6.54 -0.00 -1.26 -4.79 118.94 118.11 1ajr s TRP 48 Ca 0.69 -0.77 -0.22 0.00 -0.00 0.00 0.00 56.10 55.80 1ajr s TRP 48 Cb -0.24 -1.13 -0.02 0.00 -0.00 0.00 0.00 33.47 32.08 1ajr s TRP 48 CO 0.51 -0.53 0.71 0.08 -0.00 0.00 0.00 176.95 177.71 1ajr s VAL 49 N 1.76 4.94 0.29 5.86 1.01 -1.26 -4.90 120.40 128.10 1ajr s VAL 49 Ca 0.02 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1ajr s VAL 49 Cb -0.14 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1ajr s VAL 49 CO -0.07 0.02 1.60 0.18 0.00 0.00 0.00 175.10 176.82 1ajr n LEU 50 N 5.57 4.32 -0.33 3.92 4.32 -1.26 -4.83 117.00 128.70 1ajr n LEU 50 Ca 0.01 1.14 0.11 0.00 -0.02 0.00 0.00 56.01 57.26 1ajr n LEU 50 Cb 0.49 -1.59 0.29 0.00 -1.62 0.00 0.00 43.42 40.99 1ajr n LEU 50 CO 0.45 0.13 1.16 -0.65 -1.22 0.00 0.00 177.39 177.26 1ajr h PRO 51 N 4.82 0.69 -0.31 3.23 0.11 -1.97 0.12 132.00 138.70 1ajr h PRO 51 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1ajr h PRO 51 Cb 1.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1ajr h PRO 51 CO 0.80 0.46 -0.17 -0.24 -0.21 0.00 0.00 178.00 178.64 1ajr h VAL 52 N 0.72 1.25 -0.17 3.15 3.04 -1.89 -1.39 116.25 120.95 1ajr h VAL 52 Ca 0.54 -1.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.07 1ajr h VAL 52 Cb 0.82 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1ajr h VAL 52 CO -0.38 0.37 0.03 0.58 -1.01 0.00 0.00 177.57 177.16 1ajr h VAL 53 N 0.50 1.22 -0.83 1.51 2.07 -1.19 0.41 116.25 119.94 1ajr h VAL 53 Ca 0.08 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1ajr h VAL 53 Cb 0.58 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1ajr h VAL 53 CO 0.04 0.21 0.53 0.03 0.02 0.00 0.00 177.57 178.40 1ajr h ARG 54 N 0.06 1.00 -0.37 1.57 3.08 -0.87 0.13 114.38 118.99 1ajr h ARG 54 Ca 0.05 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1ajr h ARG 54 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1ajr h ARG 54 CO 0.00 0.66 0.21 -0.22 -1.07 0.00 0.00 179.97 179.56 1ajr h LYS 55 N 1.04 0.42 -0.48 0.04 3.64 -0.95 -1.94 116.57 118.34 1ajr h LYS 55 Ca 0.33 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1ajr h LYS 55 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1ajr h LYS 55 CO -0.11 0.28 -0.14 0.28 -2.27 0.00 0.00 179.45 177.49 1ajr h VAL 56 N 0.44 1.27 -0.86 2.00 2.07 -0.37 -2.46 116.25 118.33 1ajr h VAL 56 Ca 0.15 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.43 1ajr h VAL 56 Cb 0.01 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1ajr h VAL 56 CO -0.07 0.44 0.56 -0.33 0.02 0.00 0.00 177.57 178.20 1ajr h GLU 57 N 0.79 1.01 -0.45 1.57 5.08 -0.48 0.21 114.58 122.32 1ajr h GLU 57 Ca 0.12 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ajr h GLU 57 Cb 0.70 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ajr h GLU 57 CO 0.05 0.67 -0.01 1.96 -1.00 0.00 0.00 179.01 180.68 1ajr h GLN 58 N 1.04 0.80 -0.84 2.33 1.08 -1.13 -1.40 115.11 116.99 1ajr h GLN 58 Ca 0.35 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1ajr h GLN 58 Cb 0.07 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1ajr h GLN 58 CO -0.11 0.87 0.39 0.00 -0.95 0.00 0.00 178.83 179.03 1ajr h ARG 59 N 0.64 1.23 -0.23 1.46 3.08 -0.93 -2.15 114.38 117.48 1ajr h ARG 59 Ca 0.13 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ajr h ARG 59 Cb 0.52 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1ajr h ARG 59 CO 0.03 0.95 0.07 0.82 -1.07 0.00 0.00 179.97 180.76 1ajr h ILE 60 N 1.21 1.20 -0.00 2.04 2.04 -0.80 -2.00 117.51 121.21 1ajr h ILE 60 Ca 0.29 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1ajr h ILE 60 Cb 0.14 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1ajr h ILE 60 CO -0.03 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1ajr h ALA 61 N 0.89 1.97 -0.26 1.87 0.00 -0.95 -0.36 119.26 122.42 1ajr h ALA 61 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ajr h ALA 61 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ajr h ALA 61 CO -0.00 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1ajr n ASN 62 N -4.50 2.62 -4.45 0.00 3.02 -0.84 -4.79 115.26 106.33 1ajr n ASN 62 Ca -0.03 -1.87 -0.44 0.00 -0.03 0.00 0.00 54.58 52.22 1ajr n ASN 62 Cb 0.09 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.57 6.21 0.25 6.41 3.04 -0.15 -4.90 114.94 124.23 1ajr s ASN 63 Ca 0.35 -0.89 0.25 0.00 0.04 0.00 0.00 52.86 52.61 1ajr s ASN 63 Cb 0.20 -2.26 0.87 0.00 -1.54 0.00 0.00 41.25 38.53 1ajr s ASN 63 CO 0.29 -0.77 1.75 0.28 -3.04 0.00 0.00 177.10 175.62 1ajr h SER 64 N 8.88 0.00 1.48 -4.21 0.02 -1.87 -3.14 113.55 114.71 1ajr h SER 64 Ca -0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1ajr h SER 64 Cb 1.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ajr h SER 64 CO 0.90 0.00 -0.09 0.77 -1.14 0.00 0.00 176.83 177.27 1ajr h SER 65 N 0.00 0.00 -3.85 3.07 4.64 -1.96 -3.45 113.55 112.00 1ajr h SER 65 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1ajr h SER 65 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1ajr h SER 65 CO 0.00 0.09 0.45 -0.76 -0.87 0.00 0.00 176.83 175.74 1ajr s LEU 66 N -6.32 4.43 0.00 5.97 1.43 -1.19 -5.06 118.68 117.94 1ajr s LEU 66 Ca 0.04 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 1ajr s LEU 66 Cb 0.07 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1ajr s LEU 66 CO 0.64 -0.24 0.09 -0.46 0.23 0.00 0.00 176.35 176.60 1ajr n ASN 67 N 0.82 1.63 -0.62 2.29 0.23 -1.26 -5.07 115.26 113.28 1ajr n ASN 67 Ca 0.01 -2.69 0.05 0.00 -0.53 0.00 0.00 54.58 51.42 1ajr n ASN 67 Cb 0.46 0.67 0.20 0.00 -2.08 0.00 0.00 39.78 39.03 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 0.30 -2.25 -2.53 8.25 -1.26 -5.04 115.22 111.92 1ajr n HIS 68 Ca -0.07 -1.37 -0.37 0.00 -0.26 0.00 0.00 57.72 55.65 1ajr n HIS 68 Cb 0.48 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 -3.14 3.68 0.26 -0.41 0.41 -1.26 -4.92 118.70 113.32 1ajr s GLU 69 Ca 0.38 1.76 -0.28 0.00 -0.41 0.00 0.00 54.97 56.43 1ajr s GLU 69 Cb 0.36 -2.34 -0.15 0.00 -1.78 0.00 0.00 34.13 30.21 1ajr s GLU 69 CO -0.02 -0.62 0.77 0.66 -0.49 0.00 0.00 175.26 175.56 1ajr n TYR 70 N -0.63 0.40 -2.14 1.61 4.01 -1.26 -4.98 117.16 114.18 1ajr n TYR 70 Ca 0.08 0.81 -0.28 0.00 -0.16 0.00 0.00 57.90 58.35 1ajr n TYR 70 Cb 0.48 -2.11 0.04 0.00 -0.31 0.00 0.00 39.34 37.45 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 1.64 3.04 0.80 7.72 1.43 -1.26 -5.03 118.68 127.01 1ajr s LEU 71 Ca 0.61 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.46 1ajr s LEU 71 Cb -0.79 -3.68 0.07 0.00 0.03 0.00 0.00 46.19 41.82 1ajr s LEU 71 CO 0.58 -1.25 1.14 -2.65 0.23 0.00 0.00 176.35 174.41 1ajr n PRO 72 N -2.82 0.20 -0.26 1.29 -0.02 -1.26 -4.80 135.00 127.33 1ajr n PRO 72 Ca 0.06 0.14 0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1ajr n PRO 72 Cb 0.58 -2.39 0.20 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.85 0.59 0.00 4.25 2.04 -1.96 -0.85 117.51 120.73 1ajr h ILE 73 Ca -0.46 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ajr h ILE 73 Cb 1.30 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1ajr h ILE 73 CO 0.46 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.86 1ajr n LEU 74 N -5.05 0.38 0.00 1.44 4.77 -1.26 -4.36 117.00 112.92 1ajr n LEU 74 Ca 0.15 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1ajr n LEU 74 Cb 0.46 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ajr n LEU 74 CO 0.16 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1ajr n GLY 75 N 1.10 1.01 3.66 -0.72 0.00 -0.32 -0.52 105.19 109.39 1ajr n GLY 75 Ca 0.06 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 4.32 0.22 0.99 2.96 -1.26 -4.40 118.68 121.51 1ajr s LEU 76 Ca 0.00 2.34 -0.08 0.00 -0.22 0.00 0.00 54.13 56.18 1ajr s LEU 76 Cb 0.00 -3.53 0.30 0.00 0.50 0.00 0.00 46.19 43.46 1ajr s LEU 76 CO 0.00 -1.01 1.79 0.00 -1.32 0.00 0.00 176.35 175.81 1ajr h ALA 77 N 10.09 0.96 -0.65 5.97 0.00 -1.98 -2.04 119.26 131.62 1ajr h ALA 77 Ca -0.42 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1ajr h ALA 77 Cb 1.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ajr h ALA 77 CO 0.95 0.01 0.21 1.05 0.00 0.00 0.00 179.25 181.47 1ajr h GLU 78 N 0.66 0.99 -0.03 0.00 9.09 -1.99 -2.07 114.58 121.22 1ajr h GLU 78 Ca 0.33 -0.19 -0.00 0.00 0.05 0.00 0.00 59.36 59.55 1ajr h GLU 78 Cb 0.29 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1ajr h GLU 78 CO -0.23 0.84 0.00 0.35 0.05 0.00 0.00 179.01 180.02 1ajr h PHE 79 N 0.96 0.05 -0.65 2.06 3.57 -1.73 -1.03 116.94 120.17 1ajr h PHE 79 Ca 0.21 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1ajr h PHE 79 Cb 0.26 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1ajr h PHE 79 CO 0.02 0.31 0.36 0.00 -2.23 0.00 0.00 178.31 176.77 1ajr h ARG 80 N -0.23 0.65 0.35 1.11 3.08 -1.04 0.12 114.38 118.43 1ajr h ARG 80 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1ajr h ARG 80 Cb 0.29 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ajr h ARG 80 CO 0.00 0.43 -0.17 1.15 -1.07 0.00 0.00 179.97 180.31 1ajr h THR 81 N 0.67 0.66 -0.81 2.04 2.02 -1.41 -2.10 112.91 113.98 1ajr h THR 81 Ca 0.29 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1ajr h THR 81 Cb 0.17 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1ajr h THR 81 CO -0.17 0.07 0.53 0.00 0.37 0.00 0.00 175.52 176.32 1ajr h ALA 83 N 1.31 0.32 -0.66 0.00 0.00 -0.76 -0.47 119.26 118.99 1ajr h ALA 83 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1ajr h ALA 83 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ajr h ALA 83 CO -0.08 -0.08 0.14 0.77 0.00 0.00 0.00 179.25 180.00 1ajr h SER 84 N 0.24 1.03 -0.58 0.00 0.02 -1.22 -2.44 113.55 110.60 1ajr h SER 84 Ca 0.08 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1ajr h SER 84 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1ajr h SER 84 CO -0.01 1.01 0.22 -0.09 -1.14 0.00 0.00 176.83 176.83 1ajr h ARG 85 N 1.00 0.92 -0.58 3.45 2.43 -1.08 -0.97 114.38 119.55 1ajr h ARG 85 Ca 0.20 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ajr h ARG 85 Cb 0.40 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1ajr h ARG 85 CO 0.01 0.77 0.25 1.25 -1.51 0.00 0.00 179.97 180.73 1ajr h LEU 86 N 0.90 0.78 -0.01 3.80 5.85 -0.62 0.12 115.31 126.14 1ajr h LEU 86 Ca 0.21 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ajr h LEU 86 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1ajr h LEU 86 CO -0.01 0.73 -0.01 0.00 -0.34 0.00 0.00 178.44 178.81 1ajr h ALA 87 N 1.09 0.02 0.00 1.25 0.00 -1.17 -3.35 119.26 117.10 1ajr h ALA 87 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ajr h ALA 87 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ajr h ALA 87 CO -0.02 -0.26 -0.83 -0.07 0.00 0.00 0.00 179.25 178.07 1ajr h LEU 88 N -0.39 0.00 0.00 0.00 3.38 -1.17 -3.44 115.31 113.70 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 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ajr h LEU 88 CO 0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1ajr n GLY 89 N 1.25 0.43 0.37 0.83 0.00 0.43 -4.24 105.19 104.26 1ajr n GLY 89 Ca -0.02 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 0.58 -0.34 1.61 5.19 -1.94 -1.86 116.42 119.66 1ajr h ASP 90 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ajr h ASP 90 Cb 0.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1ajr h ASP 90 CO 0.00 0.31 0.00 -0.90 -3.12 0.00 0.00 179.24 175.53 1ajr n ASP 91 N -4.52 1.94 -4.65 6.45 5.75 -1.26 -4.84 116.55 115.41 1ajr n ASP 91 Ca 0.15 -2.03 -0.47 0.00 -0.01 0.00 0.00 54.79 52.44 1ajr n ASP 91 Cb 0.44 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.49 2.73 -0.12 -1.12 2.88 -0.70 -4.87 113.62 112.91 1ajr n SER 92 Ca 0.12 1.11 0.03 0.00 -1.33 0.00 0.00 58.87 58.80 1ajr n SER 92 Cb 0.32 -1.39 0.35 0.00 -0.75 0.00 0.00 64.21 62.74 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 5.18 0.74 -0.67 -1.46 0.13 -1.91 -2.12 132.00 131.88 1ajr h PRO 93 Ca -0.45 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1ajr h PRO 93 Cb 1.27 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1ajr h PRO 93 CO 0.83 0.49 0.14 0.00 -0.23 0.00 0.00 178.00 179.23 1ajr h ALA 94 N 1.64 0.89 -0.24 -0.56 0.00 -1.93 -0.57 119.26 118.48 1ajr h ALA 94 Ca 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ajr h ALA 94 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ajr h ALA 94 CO -0.06 0.63 -0.00 -0.07 0.00 0.00 0.00 179.25 179.74 1ajr h LEU 95 N 1.01 0.42 -1.66 0.00 4.07 -1.84 0.14 115.31 117.46 1ajr h LEU 95 Ca 0.21 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1ajr h LEU 95 Cb 0.40 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1ajr h LEU 95 CO 0.01 0.63 -0.05 1.56 -1.08 0.00 0.00 178.44 179.51 1ajr h GLN 96 N 0.20 0.15 -0.34 1.13 4.20 -1.17 -1.87 115.11 117.40 1ajr h GLN 96 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ajr h GLN 96 Cb 0.42 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ajr h GLN 96 CO 0.01 0.22 0.00 0.39 -0.67 0.00 0.00 178.83 178.78 1ajr n GLU 97 N -4.39 2.11 -3.78 1.46 1.02 -0.24 -4.94 120.64 111.88 1ajr n GLU 97 Ca -0.01 -1.70 -0.26 0.00 -0.02 0.00 0.00 57.16 55.18 1ajr n GLU 97 Cb 0.18 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.90 -5.60 -1.42 3.49 5.02 -0.70 -4.64 118.16 115.21 1ajr n LYS 98 Ca 0.17 0.64 -0.15 0.00 -2.02 0.00 0.00 58.31 56.96 1ajr n LYS 98 Cb 0.45 -5.43 0.10 0.00 -0.02 0.00 0.00 35.03 30.13 1ajr n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ajr n ARG 99 N -4.54 2.75 -4.86 1.97 1.74 -0.02 -4.36 116.66 109.34 1ajr n ARG 99 Ca -0.11 -3.72 -0.25 0.00 -0.77 0.00 0.00 57.85 53.00 1ajr n ARG 99 Cb 0.59 -2.05 -0.15 0.00 -1.02 0.00 0.00 32.46 29.83 1ajr n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ajr s VAL 100 N -4.08 1.42 0.11 1.55 1.01 -1.26 -1.53 120.40 117.62 1ajr s VAL 100 Ca 0.48 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1ajr s VAL 100 Cb 0.41 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1ajr s VAL 100 CO 0.00 0.40 -0.11 -0.83 0.00 0.00 0.00 175.10 174.56 1ajr s GLY 101 N -0.37 0.93 -0.02 4.51 0.00 -0.10 -4.97 107.32 107.31 1ajr s GLY 101 Ca 0.06 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.53 1ajr s GLY 101 CO -0.00 -1.33 -0.03 -0.32 0.00 0.00 0.00 173.10 171.41 1ajr s GLY 102 N -2.56 0.26 -0.21 0.20 0.00 -1.26 0.18 107.32 103.93 1ajr s GLY 102 Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1ajr s GLY 102 CO 0.01 0.12 -0.17 0.14 0.00 0.00 0.00 173.10 173.20 1ajr s VAL 103 N 0.32 2.10 0.23 1.40 1.01 -0.22 -4.94 120.40 120.29 1ajr s VAL 103 Ca -0.03 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1ajr s VAL 103 Cb -0.07 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 1ajr s VAL 103 CO -0.00 0.33 1.48 -1.58 0.00 0.00 0.00 175.10 175.33 1ajr s GLN 104 N 1.22 4.24 0.23 2.72 0.74 0.32 -0.48 119.66 128.65 1ajr s GLN 104 Ca -0.00 2.33 0.00 0.00 0.05 0.00 0.00 55.36 57.74 1ajr s GLN 104 Cb -0.16 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 1ajr s GLN 104 CO -0.10 -0.49 0.13 -1.54 -0.55 0.00 0.00 175.29 172.74 1ajr s SER 105 N 0.61 0.65 -1.11 6.67 1.04 -0.27 -4.74 113.70 116.55 1ajr s SER 105 Ca 0.63 -1.42 -0.21 0.00 0.48 0.00 0.00 55.95 55.43 1ajr s SER 105 Cb -0.43 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.08 1ajr s SER 105 CO 0.40 -0.82 1.51 -0.76 0.98 0.00 0.00 173.24 174.55 1ajr s LEU 106 N -3.23 3.79 0.00 2.42 2.01 -1.26 -1.49 118.68 120.92 1ajr s LEU 106 Ca 0.38 -1.87 0.00 0.00 0.01 0.00 0.00 54.13 52.65 1ajr s LEU 106 Cb 0.07 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.72 1ajr s LEU 106 CO 0.14 -1.34 0.00 0.61 1.01 0.00 0.00 176.35 176.77 1ajr n GLY 107 N 6.20 -1.46 0.24 -3.19 0.00 -0.96 -0.50 105.19 105.52 1ajr n GLY 107 Ca 0.37 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.35 0.36 0.98 -0.02 0.00 -1.78 -2.49 103.07 99.78 1ajr h GLY 108 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ajr h GLY 108 CO 0.00 0.22 -0.00 -0.84 0.00 0.00 0.00 176.54 175.92 1ajr h THR 109 N 0.31 1.00 -0.94 4.70 2.02 -1.92 -1.60 112.91 116.48 1ajr h THR 109 Ca 0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ajr h THR 109 Cb 0.45 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1ajr h THR 109 CO 0.03 0.01 0.57 1.23 0.37 0.00 0.00 175.52 177.73 1ajr h GLY 110 N -0.03 1.36 0.97 2.16 0.00 -0.62 -0.35 103.07 106.56 1ajr h GLY 110 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1ajr h GLY 110 CO 0.00 0.54 0.23 0.00 0.00 0.00 0.00 176.54 177.32 1ajr h ALA 111 N 1.33 0.60 -0.57 3.60 0.00 -1.14 -1.32 119.26 121.77 1ajr h ALA 111 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ajr h ALA 111 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ajr h ALA 111 CO -0.06 0.16 0.32 -0.07 0.00 0.00 0.00 179.25 179.60 1ajr h LEU 112 N 0.61 0.71 -0.02 0.00 3.38 -0.99 -1.93 115.31 117.08 1ajr h LEU 112 Ca 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ajr h LEU 112 Cb 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ajr h LEU 112 CO -0.02 0.59 0.01 -0.09 0.09 0.00 0.00 178.44 179.02 1ajr h ARG 113 N 0.78 0.02 -0.35 1.13 9.65 -0.73 -0.17 114.38 124.71 1ajr h ARG 113 Ca 0.20 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1ajr h ARG 113 Cb 0.03 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1ajr h ARG 113 CO -0.03 0.07 0.20 0.82 2.80 0.00 0.00 179.97 183.83 1ajr h ILE 114 N -0.04 1.04 -0.29 1.20 1.08 -1.21 -0.35 117.51 118.94 1ajr h ILE 114 Ca 0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1ajr h ILE 114 Cb 0.06 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1ajr h ILE 114 CO -0.00 0.08 0.18 1.23 -0.69 0.00 0.00 178.15 178.94 1ajr h GLY 115 N 0.42 0.43 1.00 5.37 0.00 -1.21 -0.87 103.07 108.20 1ajr h GLY 115 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ajr h GLY 115 CO -0.06 0.17 0.34 0.00 0.00 0.00 0.00 176.54 176.99 1ajr h ALA 116 N 1.07 0.83 -0.80 3.60 0.00 -0.86 -1.44 119.26 121.67 1ajr h ALA 116 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ajr h ALA 116 Cb 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1ajr h ALA 116 CO -0.02 0.37 0.41 0.93 0.00 0.00 0.00 179.25 180.94 1ajr h GLU 117 N 0.89 1.13 0.01 0.00 4.39 -0.84 -1.83 114.58 118.33 1ajr h GLU 117 Ca 0.23 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1ajr h GLU 117 Cb 0.07 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1ajr h GLU 117 CO -0.03 0.85 -0.01 0.35 -1.16 0.00 0.00 179.01 179.01 1ajr h PHE 118 N 1.11 -0.01 -1.00 4.33 3.04 -0.77 -3.04 116.94 120.59 1ajr h PHE 118 Ca 0.28 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.24 1ajr h PHE 118 Cb 0.07 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.54 1ajr h PHE 118 CO 0.01 0.06 0.66 -0.07 -2.02 0.00 0.00 178.31 176.95 1ajr h LEU 119 N -0.09 1.16 -1.75 0.59 3.38 -1.07 -0.30 115.31 117.24 1ajr h LEU 119 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ajr h LEU 119 Cb 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ajr h LEU 119 CO 0.00 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.38 1ajr h ALA 120 N 1.37 1.00 0.00 1.53 0.00 -1.25 -2.33 119.26 119.57 1ajr h ALA 120 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.03 1ajr h ALA 120 Cb -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1ajr h ALA 120 CO -0.08 0.00 -1.94 0.54 0.00 0.00 0.00 179.25 177.77 1ajr n ARG 121 N -2.79 0.80 0.00 0.00 1.74 -0.92 -3.05 116.66 112.43 1ajr n ARG 121 Ca -0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ajr n ARG 121 Cb 0.18 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.86 0.00 -4.30 -1.55 7.02 -0.17 -0.81 117.44 114.76 1ajr n TRP 122 Ca -0.28 -0.02 -0.35 0.00 -1.02 0.00 0.00 57.50 55.83 1ajr n TRP 122 Cb 0.85 -0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.64 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 -0.04 3.22 -1.41 -5.99 5.04 -0.88 -4.52 117.35 112.77 1ajr s TYR 123 Ca 0.00 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.76 1ajr s TYR 123 Cb 0.00 -1.82 0.03 0.00 0.35 0.00 0.00 41.96 40.52 1ajr s TYR 123 CO 0.00 0.49 1.09 -1.71 -1.34 0.00 0.00 175.55 174.08 1ajr n ASN 124 N 2.16 -6.04 0.00 4.32 4.05 -1.26 -4.56 115.26 113.93 1ajr n ASN 124 Ca -0.19 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.28 1ajr n ASN 124 Cb 0.54 -4.77 0.00 0.00 1.23 0.00 0.00 39.78 36.77 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 -1.90 -0.43 3.41 8.20 0.00 -1.26 -4.78 105.19 108.42 1ajr n GLY 125 Ca 0.01 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1ajr n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajr s THR 126 N 0.00 3.71 -1.37 2.61 2.01 -1.26 -4.26 115.64 117.08 1ajr s THR 126 Ca 0.00 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 1ajr s THR 126 Cb 0.00 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1ajr s THR 126 CO 0.00 0.44 0.90 0.59 -0.69 0.00 0.00 174.62 175.87 1ajr n ASN 127 N 4.24 -3.18 -4.45 3.53 3.02 0.01 -4.92 115.26 113.50 1ajr n ASN 127 Ca -0.17 -0.74 -0.44 0.00 -0.03 0.00 0.00 54.58 53.20 1ajr n ASN 127 Cb 0.52 -4.32 -0.06 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.89 6.22 0.00 6.41 3.84 -1.17 -4.86 114.94 121.50 1ajr s ASN 128 Ca 0.29 -0.88 0.24 0.00 0.21 0.00 0.00 52.86 52.72 1ajr s ASN 128 Cb -0.14 -2.28 0.48 0.00 -0.55 0.00 0.00 41.25 38.76 1ajr s ASN 128 CO 0.79 -0.85 1.42 0.29 -2.79 0.00 0.00 177.10 175.96 1ajr n LYS 129 N 6.09 2.20 0.02 0.43 4.76 -1.26 -4.22 118.16 126.17 1ajr n LYS 129 Ca -0.07 -1.77 0.12 0.00 -2.87 0.00 0.00 58.31 53.72 1ajr n LYS 129 Cb 0.46 -1.47 0.18 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.06 0.58 -4.69 4.39 8.00 -1.26 -1.52 116.55 123.11 1ajr n ASP 130 Ca 0.17 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 1ajr n ASP 130 Cb 0.53 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 1ajr n ASP 130 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ajr n THR 131 N -1.69 0.23 -2.01 -3.53 -1.04 -1.26 -4.70 114.28 100.28 1ajr n THR 131 Ca 0.04 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1ajr n THR 131 Cb 0.37 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 1ajr n THR 131 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ajr s PRO 132 N 2.15 4.18 -0.12 -2.82 0.02 -1.26 -4.63 135.00 132.52 1ajr s PRO 132 Ca 0.81 2.30 0.03 0.00 0.02 0.00 0.00 61.00 64.15 1ajr s PRO 132 Cb -0.54 -2.96 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 1ajr s PRO 132 CO 0.37 -0.36 -0.21 0.08 -0.33 0.00 0.00 177.00 176.55 1ajr s VAL 133 N -1.16 2.30 -0.09 3.83 1.01 -0.60 -1.31 120.40 124.38 1ajr s VAL 133 Ca 0.52 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ajr s VAL 133 Cb -0.41 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1ajr s VAL 133 CO 0.55 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.75 1ajr s TYR 134 N 0.50 2.78 0.17 5.22 1.51 0.66 -0.07 117.35 128.12 1ajr s TYR 134 Ca -0.13 -0.36 0.09 0.00 -1.01 0.00 0.00 57.07 55.66 1ajr s TYR 134 Cb -0.17 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1ajr s TYR 134 CO 0.05 0.02 -0.20 0.14 -1.11 0.00 0.00 175.55 174.45 1ajr s VAL 135 N -0.23 1.93 0.71 0.71 -7.23 -0.32 -1.13 120.40 114.84 1ajr s VAL 135 Ca 0.01 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 1ajr s VAL 135 Cb -0.13 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.95 1ajr s VAL 135 CO 0.03 -0.26 1.10 -0.94 -0.31 0.00 0.00 175.10 174.72 1ajr s SER 136 N -2.64 4.82 -0.37 4.85 1.04 -1.26 -0.83 113.70 119.31 1ajr s SER 136 Ca 0.16 1.91 -0.04 0.00 0.48 0.00 0.00 55.95 58.47 1ajr s SER 136 Cb -0.06 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.60 1ajr s SER 136 CO 0.07 -1.83 0.14 -0.55 0.98 0.00 0.00 173.24 172.05 1ajr s SER 137 N -3.00 5.20 0.84 7.02 0.15 -0.27 -2.85 113.70 120.78 1ajr s SER 137 Ca 0.64 -1.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.57 1ajr s SER 137 Cb -0.19 -1.82 0.17 0.00 -1.71 0.00 0.00 66.02 62.48 1ajr s SER 137 CO 0.49 -0.44 1.15 -2.16 1.20 0.00 0.00 173.24 173.48 1ajr s PRO 138 N 1.23 1.12 0.27 5.44 0.04 -1.26 -1.85 135.00 139.99 1ajr s PRO 138 Ca 0.03 -0.92 -0.04 0.00 0.04 0.00 0.00 61.00 60.11 1ajr s PRO 138 Cb -0.22 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1ajr s PRO 138 CO -0.02 -1.93 0.34 -0.08 0.04 0.00 0.00 177.00 175.35 1ajr s THR 139 N -3.48 0.00 0.11 1.26 -1.32 -1.13 -4.70 115.64 106.38 1ajr s THR 139 Ca 0.71 -1.72 -0.31 0.00 -1.21 0.00 0.00 61.69 59.15 1ajr s THR 139 Cb -0.04 -2.46 -0.10 0.00 -1.51 0.00 0.00 72.50 68.39 1ajr s THR 139 CO 0.48 0.00 1.79 0.86 -2.21 0.00 0.00 174.62 175.54 1ajr s TRP 140 N -3.71 2.21 0.36 9.09 -0.00 -1.02 -4.60 118.94 121.26 1ajr s TRP 140 Ca 0.32 0.05 0.24 0.00 -0.00 0.00 0.00 56.10 56.71 1ajr s TRP 140 Cb 0.02 -4.13 1.27 0.00 -0.00 0.00 0.00 33.47 30.63 1ajr s TRP 140 CO 0.16 -4.65 1.41 0.39 -0.00 0.00 0.00 176.95 174.26 1ajr n GLU 141 N 5.66 -0.04 0.00 5.86 4.71 -1.26 -0.61 120.64 134.95 1ajr n GLU 141 Ca 0.17 1.19 0.14 0.00 -0.01 0.00 0.00 57.16 58.65 1ajr n GLU 141 Cb 0.39 -2.23 0.58 0.00 -1.01 0.00 0.00 31.44 29.17 1ajr n GLU 141 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ajr n ASN 142 N -4.79 0.53 0.08 1.62 5.15 -1.26 -4.17 115.26 112.42 1ajr n ASN 142 Ca 0.35 -0.60 -0.13 0.00 -0.60 0.00 0.00 54.58 53.61 1ajr n ASN 142 Cb 1.28 -0.05 -0.07 0.00 -0.53 0.00 0.00 39.78 40.40 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 0.63 -0.15 -0.30 1.20 3.86 -1.22 -2.12 115.15 117.05 1ajr h HIS 143 Ca 0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1ajr h HIS 143 Cb 0.38 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 1ajr h HIS 143 CO 0.00 -0.09 0.10 -0.91 0.86 0.00 0.00 177.93 177.89 1ajr h ASN 144 N -0.14 0.11 -0.58 2.45 4.21 -1.79 -2.55 115.58 117.28 1ajr h ASN 144 Ca -0.00 0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.57 1ajr h ASN 144 Cb 0.13 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.31 1ajr h ASN 144 CO -0.00 0.10 0.34 1.23 -1.29 0.00 0.00 177.43 177.80 1ajr h GLY 145 N 0.23 0.83 0.94 2.83 0.00 -1.73 0.22 103.07 106.39 1ajr h GLY 145 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ajr h GLY 145 CO -0.14 0.19 0.15 -2.08 0.00 0.00 0.00 176.54 174.66 1ajr h VAL 146 N 0.65 1.15 -0.45 4.60 2.07 -1.13 -1.20 116.25 121.94 1ajr h VAL 146 Ca 0.24 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1ajr h VAL 146 Cb 0.08 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ajr h VAL 146 CO -0.13 0.15 -0.28 -0.26 0.02 0.00 0.00 177.57 177.08 1ajr h PHE 147 N 0.36 1.14 -0.45 1.57 0.04 -1.21 -2.07 116.94 116.33 1ajr h PHE 147 Ca 0.11 -0.30 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1ajr h PHE 147 Cb 0.10 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1ajr h PHE 147 CO -0.02 1.13 0.24 1.15 -0.60 0.00 0.00 178.31 180.21 1ajr h THR 148 N 0.83 1.16 -0.07 -1.55 2.02 -0.45 -2.45 112.91 112.40 1ajr h THR 148 Ca 0.09 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1ajr h THR 148 Cb 0.86 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1ajr h THR 148 CO 0.08 0.17 -0.22 0.74 0.37 0.00 0.00 175.52 176.66 1ajr h THR 149 N 0.58 1.20 0.00 3.16 2.02 -1.13 -1.71 112.91 117.02 1ajr h THR 149 Ca 0.16 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1ajr h THR 149 Cb 0.06 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ajr h THR 149 CO -0.02 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.14 1ajr n ALA 150 N -2.49 1.79 0.00 6.16 0.00 -0.79 -4.90 120.51 120.28 1ajr n ALA 150 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ajr n ALA 150 Cb 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.28 0.75 3.71 0.00 0.00 -0.64 -4.82 105.19 104.47 1ajr n GLY 151 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.94 -0.10 1.61 0.08 -0.95 -4.80 117.98 114.76 1ajr s PHE 152 Ca 0.00 0.68 0.16 0.00 0.12 0.00 0.00 56.93 57.89 1ajr s PHE 152 Cb 0.00 -3.82 -0.16 0.00 -0.57 0.00 0.00 43.02 38.46 1ajr s PHE 152 CO 0.00 -3.07 0.77 1.63 -0.10 0.00 0.00 175.22 174.45 1ajr n LYS 153 N 4.55 0.62 -3.92 0.44 5.02 -0.57 -4.48 118.16 119.81 1ajr n LYS 153 Ca 0.13 0.25 -0.30 0.00 -2.02 0.00 0.00 58.31 56.37 1ajr n LYS 153 Cb 0.41 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 1ajr n LYS 153 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ajr s ASP 154 N -5.87 4.28 -0.24 4.39 -1.08 -1.26 -5.06 116.67 111.83 1ajr s ASP 154 Ca -0.03 -3.06 -0.09 0.00 -0.52 0.00 0.00 52.55 48.85 1ajr s ASP 154 Cb 0.08 -1.58 -0.04 0.00 -1.46 0.00 0.00 42.92 39.93 1ajr s ASP 154 CO 0.82 -0.22 0.11 -0.63 0.52 0.00 0.00 175.17 175.76 1ajr s ILE 155 N -0.35 4.79 0.41 4.11 1.01 -1.26 -1.56 121.20 128.35 1ajr s ILE 155 Ca 0.18 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1ajr s ILE 155 Cb -0.24 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1ajr s ILE 155 CO -0.02 0.35 0.10 -0.13 0.00 0.00 0.00 174.94 175.24 1ajr s ARG 156 N 1.30 2.10 0.07 2.79 0.52 0.90 -4.97 118.95 121.66 1ajr s ARG 156 Ca 0.06 -1.97 0.09 0.00 -0.52 0.00 0.00 55.73 53.39 1ajr s ARG 156 Cb -0.15 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1ajr s ARG 156 CO 0.05 -0.09 -0.26 -1.12 0.02 0.00 0.00 175.30 173.91 1ajr s SER 157 N -3.81 3.09 -0.05 0.23 0.01 -1.26 -1.17 113.70 110.74 1ajr s SER 157 Ca 0.38 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1ajr s SER 157 Cb 0.07 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1ajr s SER 157 CO 0.20 0.22 -0.12 -0.72 0.41 0.00 0.00 173.24 173.24 1ajr s TYR 158 N -0.88 2.78 0.40 2.43 -0.85 -0.01 -4.88 117.35 116.34 1ajr s TYR 158 Ca 0.11 -0.10 -0.27 0.00 -0.52 0.00 0.00 57.07 56.30 1ajr s TYR 158 Cb -0.10 -1.64 -0.10 0.00 0.38 0.00 0.00 41.96 40.50 1ajr s TYR 158 CO 0.03 0.25 1.37 0.54 -1.52 0.00 0.00 175.55 176.21 1ajr n ARG 159 N 2.19 2.23 0.00 -3.49 1.74 -1.26 -1.11 116.66 116.96 1ajr n ARG 159 Ca -0.17 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1ajr n ARG 159 Cb 0.52 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1ajr n ARG 159 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ajr n TYR 160 N 0.07 -1.34 -2.71 -1.55 9.36 -1.24 -3.66 117.16 116.08 1ajr n TYR 160 Ca 0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.85 1ajr n TYR 160 Cb 0.39 0.44 -0.03 0.00 -0.63 0.00 0.00 39.34 39.50 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 -0.87 3.69 -0.38 2.98 -0.11 -0.77 0.29 118.94 123.77 1ajr s TRP 161 Ca 0.00 1.72 -0.10 0.00 1.22 0.00 0.00 56.10 58.94 1ajr s TRP 161 Cb 0.00 -3.11 0.04 0.00 -1.50 0.00 0.00 33.47 28.90 1ajr s TRP 161 CO 0.00 0.03 0.20 0.34 -4.62 0.00 0.00 176.95 172.90 1ajr s ASP 162 N 0.82 5.66 0.20 5.86 -1.08 0.22 -4.76 116.67 123.60 1ajr s ASP 162 Ca 0.51 -1.10 -0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1ajr s ASP 162 Cb -0.21 -2.00 0.19 0.00 -1.46 0.00 0.00 42.92 39.43 1ajr s ASP 162 CO 0.28 -0.40 1.84 0.74 0.52 0.00 0.00 175.17 178.15 1ajr h THR 163 N 5.95 1.07 -0.08 1.71 2.02 -1.95 0.29 112.91 121.93 1ajr h THR 163 Ca -0.25 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1ajr h THR 163 Cb 1.10 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ajr h THR 163 CO 0.67 0.15 -0.21 -0.08 0.37 0.00 0.00 175.52 176.42 1ajr h GLU 164 N 0.81 0.29 0.00 6.66 4.81 -1.95 -3.25 114.58 121.95 1ajr h GLU 164 Ca 0.28 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ajr h GLU 164 Cb 0.04 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ajr h GLU 164 CO -0.12 0.81 -0.06 1.63 -0.73 0.00 0.00 179.01 180.54 1ajr n LYS 165 N -4.53 0.23 -3.65 1.92 4.01 -1.19 -4.93 118.16 110.03 1ajr n LYS 165 Ca -0.08 0.18 -0.21 0.00 -0.51 0.00 0.00 58.31 57.69 1ajr n LYS 165 Cb 0.42 -1.76 0.04 0.00 -0.51 0.00 0.00 35.03 33.23 1ajr n LYS 165 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ajr n ARG 166 N -2.15 -4.78 -1.15 1.97 1.74 1.00 -4.94 116.66 108.35 1ajr n ARG 166 Ca 0.06 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1ajr n ARG 166 Cb 0.42 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 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 -1.51 1.65 3.72 -0.13 0.00 -1.01 -4.79 105.19 103.11 1ajr n GLY 167 Ca -0.28 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 4.39 -1.26 0.99 2.96 -1.26 0.71 118.68 125.22 1ajr s LEU 168 Ca 0.00 2.02 -0.13 0.00 -0.22 0.00 0.00 54.13 55.80 1ajr s LEU 168 Cb 0.00 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.26 1ajr s LEU 168 CO 0.00 -0.41 1.65 -0.67 -1.32 0.00 0.00 176.35 175.60 1ajr n ASP 169 N 3.57 5.07 -0.20 3.68 2.03 0.15 -4.80 116.55 126.05 1ajr n ASP 169 Ca 0.07 -3.00 -0.07 0.00 0.52 0.00 0.00 54.79 52.32 1ajr n ASP 169 Cb 0.46 -1.57 0.03 0.00 -0.72 0.00 0.00 41.12 39.32 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 9.53 0.67 -0.96 -2.67 5.85 -1.93 0.15 115.31 125.95 1ajr h LEU 170 Ca 0.37 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1ajr h LEU 170 Cb 0.79 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1ajr h LEU 170 CO 1.42 0.51 0.53 1.56 -0.34 0.00 0.00 178.44 182.12 1ajr h GLN 171 N 0.76 1.25 -0.02 1.25 7.50 -1.98 0.12 115.11 123.99 1ajr h GLN 171 Ca 0.20 -0.13 -0.00 0.00 0.50 0.00 0.00 58.65 59.22 1ajr h GLN 171 Cb -0.05 -0.26 -0.00 0.00 0.05 0.00 0.00 27.48 27.23 1ajr h GLN 171 CO -0.04 0.89 -0.00 0.78 -1.50 0.00 0.00 178.83 178.96 1ajr h GLY 172 N 1.27 0.04 0.55 3.46 0.00 -1.84 -1.17 103.07 105.38 1ajr h GLY 172 Ca 0.32 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1ajr h GLY 172 CO -0.06 0.03 -0.19 -2.75 0.00 0.00 0.00 176.54 173.58 1ajr h PHE 173 N -0.28 -0.49 -0.83 5.60 3.04 -0.57 -1.63 116.94 121.78 1ajr h PHE 173 Ca 0.01 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1ajr h PHE 173 Cb 0.34 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 1ajr h PHE 173 CO 0.04 -0.27 0.55 -0.07 -2.02 0.00 0.00 178.31 176.54 1ajr h LEU 174 N -0.30 0.92 -0.89 0.59 3.38 -0.74 -0.74 115.31 117.54 1ajr h LEU 174 Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ajr h LEU 174 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1ajr h LEU 174 CO -0.18 0.66 0.11 0.28 0.09 0.00 0.00 178.44 179.40 1ajr h SER 175 N 1.08 0.88 -0.36 -0.43 0.02 -0.71 0.09 113.55 114.13 1ajr h SER 175 Ca 0.31 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1ajr h SER 175 Cb -0.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1ajr h SER 175 CO -0.08 0.88 -0.19 0.44 -1.14 0.00 0.00 176.83 176.74 1ajr h ASP 176 N 0.89 0.86 -0.22 3.07 3.32 -0.62 -1.19 116.42 122.53 1ajr h ASP 176 Ca 0.19 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1ajr h ASP 176 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ajr h ASP 176 CO 0.01 1.03 0.04 -0.07 -1.72 0.00 0.00 179.24 178.53 1ajr h LEU 177 N 0.74 0.35 -1.54 1.55 3.38 -0.88 -2.21 115.31 116.70 1ajr h LEU 177 Ca 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ajr h LEU 177 Cb 0.72 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1ajr h LEU 177 CO 0.06 0.51 0.27 -0.33 0.09 0.00 0.00 178.44 179.04 1ajr h GLU 178 N 0.18 0.58 -0.02 1.13 4.39 -0.75 -2.38 114.58 117.72 1ajr h GLU 178 Ca 0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ajr h GLU 178 Cb 0.31 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ajr h GLU 178 CO 0.00 0.40 -0.03 0.09 -1.16 0.00 0.00 179.01 178.31 1ajr n ASN 179 N -4.46 1.64 -4.73 1.42 3.02 -0.47 -4.92 115.26 106.76 1ajr n ASN 179 Ca 0.03 -1.50 -0.41 0.00 -0.03 0.00 0.00 54.58 52.67 1ajr n ASN 179 Cb 0.07 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.05 3.33 0.40 5.41 0.00 -0.84 -5.00 121.76 123.01 1ajr s ALA 180 Ca 0.35 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 1ajr s ALA 180 Cb 0.21 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1ajr s ALA 180 CO 0.35 -0.17 1.22 -2.30 0.00 0.00 0.00 175.76 174.86 1ajr n PRO 181 N 2.64 1.83 -1.67 0.00 -0.02 -1.26 -4.89 135.00 131.64 1ajr n PRO 181 Ca 0.03 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1ajr n PRO 181 Cb 0.47 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.16 1.59 -0.90 -0.52 1.02 -1.26 -1.76 120.64 118.97 1ajr n GLU 182 Ca 0.07 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1ajr n GLU 182 Cb 0.39 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.65 0.00 -1.65 -0.32 3.72 -0.52 -5.00 117.46 113.04 1ajr n PHE 183 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.12 1ajr n PHE 183 Cb 0.41 -0.32 0.07 0.00 -0.94 0.00 0.00 39.48 38.71 1ajr n PHE 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ajr n SER 184 N -0.01 1.67 -4.73 4.37 7.64 -0.72 -4.50 113.62 117.34 1ajr n SER 184 Ca 0.00 0.80 -0.37 0.00 1.01 0.00 0.00 58.87 60.31 1ajr n SER 184 Cb 0.00 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 61.63 1ajr n SER 184 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ajr s ILE 185 N -1.48 5.23 -0.18 0.44 1.01 -0.42 -1.05 121.20 124.75 1ajr s ILE 185 Ca 0.81 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 1ajr s ILE 185 Cb -0.38 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ajr s ILE 185 CO 0.42 0.37 -0.13 -0.36 0.00 0.00 0.00 174.94 175.24 1ajr s PHE 186 N 0.43 2.83 -0.36 3.97 0.40 0.44 -0.25 117.98 125.43 1ajr s PHE 186 Ca 0.22 -1.14 -0.22 0.00 -0.60 0.00 0.00 56.93 55.20 1ajr s PHE 186 Cb -0.14 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1ajr s PHE 186 CO 0.08 -0.56 0.69 0.08 0.70 0.00 0.00 175.22 176.21 1ajr s VAL 187 N 1.10 4.82 -0.07 -0.44 1.01 -0.28 -0.52 120.40 126.02 1ajr s VAL 187 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1ajr s VAL 187 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1ajr s VAL 187 CO -0.04 -0.38 -0.14 -0.76 0.00 0.00 0.00 175.10 173.78 1ajr s LEU 188 N 2.87 2.71 -0.22 3.92 1.43 -0.07 -4.42 118.68 124.90 1ajr s LEU 188 Ca 0.27 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 1ajr s LEU 188 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1ajr s LEU 188 CO 0.16 0.31 0.73 -1.00 0.23 0.00 0.00 176.35 176.77 1ajr s HIS 189 N -0.49 3.34 0.22 0.29 3.76 -1.26 0.75 115.29 121.90 1ajr s HIS 189 Ca 0.06 1.02 -0.08 0.00 -0.15 0.00 0.00 55.06 55.91 1ajr s HIS 189 Cb -0.12 -2.93 0.24 0.00 1.11 0.00 0.00 32.58 30.89 1ajr s HIS 189 CO 0.02 -0.30 1.86 0.00 -0.85 0.00 0.00 174.74 175.47 1ajr h ALA 190 N 7.62 1.05 -2.14 -1.40 0.00 -1.66 -3.46 119.26 119.27 1ajr h ALA 190 Ca -0.27 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.78 1ajr h ALA 190 Cb 1.12 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 1ajr h ALA 190 CO 0.82 0.31 0.56 0.00 0.00 0.00 0.00 179.25 180.93 1ajr n ALA 192 N -0.34 -2.55 -1.57 0.00 0.00 -1.26 -4.71 120.51 110.09 1ajr n ALA 192 Ca -0.07 -0.13 -0.52 0.00 0.00 0.00 0.00 53.44 52.72 1ajr n ALA 192 Cb 0.61 -4.23 -0.06 0.00 0.00 0.00 0.00 19.45 15.77 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 -3.72 1.27 -3.98 0.00 -0.00 -1.26 -4.79 115.22 102.74 1ajr n HIS 193 Ca -0.09 0.72 -0.34 0.00 0.46 0.00 0.00 57.72 58.47 1ajr n HIS 193 Cb 0.60 -2.27 -0.15 0.00 -0.12 0.00 0.00 29.99 28.05 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 0.26 4.00 0.00 0.26 3.84 -1.26 -0.54 114.94 121.50 1ajr s ASN 194 Ca 0.82 -0.59 0.22 0.00 0.21 0.00 0.00 52.86 53.52 1ajr s ASN 194 Cb -0.98 -1.65 0.17 0.00 -0.55 0.00 0.00 41.25 38.24 1ajr s ASN 194 CO 0.50 -0.05 1.20 -0.81 -2.79 0.00 0.00 177.10 175.15 1ajr n PRO 195 N 4.72 2.05 0.08 0.43 -0.04 -1.26 -2.42 135.00 138.55 1ajr n PRO 195 Ca -0.18 -1.81 -0.06 0.00 -0.04 0.00 0.00 63.50 61.40 1ajr n PRO 195 Cb 0.50 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 4.32 1.65 0.00 0.52 1.35 -1.83 -3.32 112.91 115.60 1ajr h THR 196 Ca 0.00 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1ajr h THR 196 Cb 0.92 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1ajr h THR 196 CO 0.00 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 1ajr n GLY 197 N 1.13 1.21 3.63 5.82 0.00 0.30 -2.23 105.19 115.04 1ajr n GLY 197 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.78 5.08 0.20 2.61 2.01 -1.26 -0.12 115.64 120.38 1ajr s THR 198 Ca 0.00 0.92 0.11 0.00 0.31 0.00 0.00 61.69 63.03 1ajr s THR 198 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1ajr s THR 198 CO 0.00 0.11 -0.21 -1.81 -0.69 0.00 0.00 174.62 172.02 1ajr s ASP 199 N 1.41 3.57 0.61 3.53 1.01 -1.26 -4.46 116.67 121.08 1ajr s ASP 199 Ca 0.22 -0.85 -0.16 0.00 0.71 0.00 0.00 52.55 52.47 1ajr s ASP 199 Cb -0.16 -0.33 -0.02 0.00 1.01 0.00 0.00 42.92 43.42 1ajr s ASP 199 CO 0.09 0.11 1.10 -2.84 0.21 0.00 0.00 175.17 173.84 1ajr s PRO 200 N -2.80 3.06 0.67 8.23 0.02 -1.26 -4.99 135.00 137.93 1ajr s PRO 200 Ca 0.22 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.59 1ajr s PRO 200 Cb -0.08 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.49 1ajr s PRO 200 CO 0.11 -1.05 1.00 0.95 -0.33 0.00 0.00 177.00 177.69 1ajr s THR 201 N -2.20 3.03 0.31 0.99 -4.23 -1.26 -4.80 115.64 107.49 1ajr s THR 201 Ca 0.68 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 1ajr s THR 201 Cb -0.21 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.66 1ajr s THR 201 CO 0.36 -0.31 1.79 -0.65 -0.54 0.00 0.00 174.62 175.28 1ajr h PRO 202 N -0.49 0.76 -0.60 3.99 0.11 -1.98 0.27 132.00 134.05 1ajr h PRO 202 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1ajr h PRO 202 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1ajr h PRO 202 CO 0.62 0.50 0.01 0.93 -0.21 0.00 0.00 178.00 179.85 1ajr h GLU 203 N 0.78 1.05 -0.27 1.05 3.07 -2.00 -0.82 114.58 117.43 1ajr h GLU 203 Ca 0.56 -0.32 -0.16 0.00 -0.50 0.00 0.00 59.36 58.93 1ajr h GLU 203 Cb 0.85 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1ajr h GLU 203 CO -0.34 1.02 -0.47 1.96 -1.40 0.00 0.00 179.01 179.77 1ajr h GLN 204 N 0.96 0.72 -0.99 2.33 4.20 -1.35 -2.62 115.11 118.35 1ajr h GLN 204 Ca 0.17 -0.42 0.07 0.00 0.06 0.00 0.00 58.65 58.54 1ajr h GLN 204 Cb 0.54 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1ajr h GLN 204 CO 0.03 1.04 0.64 -1.49 -0.67 0.00 0.00 178.83 178.38 1ajr h TRP 205 N 0.58 1.18 -0.66 2.96 4.06 -0.02 -1.36 115.95 122.70 1ajr h TRP 205 Ca 0.03 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 1ajr h TRP 205 Cb 1.03 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.78 1ajr h TRP 205 CO 0.05 0.60 0.33 0.87 -3.56 0.00 0.00 178.44 176.73 1ajr h LYS 206 N 1.15 0.92 -0.41 0.49 1.57 -0.79 0.43 116.57 119.93 1ajr h LYS 206 Ca 0.43 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1ajr h LYS 206 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ajr h LYS 206 CO -0.18 0.70 0.00 1.96 -0.57 0.00 0.00 179.45 181.37 1ajr h GLN 207 N 0.92 0.72 0.23 3.15 4.20 -1.15 -1.76 115.11 121.42 1ajr h GLN 207 Ca 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ajr h GLN 207 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ajr h GLN 207 CO -0.03 0.80 -0.11 0.82 -0.67 0.00 0.00 178.83 179.64 1ajr h ILE 208 N 0.56 0.78 -0.99 2.54 2.04 -0.87 -2.85 117.51 118.72 1ajr h ILE 208 Ca 0.12 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1ajr h ILE 208 Cb 0.47 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 1ajr h ILE 208 CO 0.02 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.80 1ajr h ALA 209 N 0.46 1.54 -0.23 1.87 0.00 -0.86 -2.13 119.26 119.91 1ajr h ALA 209 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ajr h ALA 209 Cb 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ajr h ALA 209 CO 0.05 0.23 -0.01 0.77 0.00 0.00 0.00 179.25 180.29 1ajr h SER 210 N 0.98 -0.12 -0.44 0.00 0.02 -1.09 -0.33 113.55 112.58 1ajr h SER 210 Ca 0.48 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.41 1ajr h SER 210 Cb 0.46 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1ajr h SER 210 CO -0.24 -0.03 -0.02 0.58 -1.14 0.00 0.00 176.83 175.98 1ajr h VAL 211 N 0.06 1.26 -0.78 2.27 2.07 -1.32 -2.82 116.25 116.99 1ajr h VAL 211 Ca 0.11 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1ajr h VAL 211 Cb 0.15 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1ajr h VAL 211 CO -0.20 0.37 0.50 0.24 0.02 0.00 0.00 177.57 178.51 1ajr h MET 212 N 0.63 1.04 0.06 1.57 2.86 -1.09 -1.88 114.93 118.12 1ajr h MET 212 Ca 0.12 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ajr h MET 212 Cb 0.52 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1ajr h MET 212 CO 0.03 0.70 -0.05 -0.22 1.06 0.00 0.00 176.91 178.43 1ajr h LYS 213 N 1.06 -0.11 -0.90 1.72 3.64 -0.98 -0.63 116.57 120.37 1ajr h LYS 213 Ca 0.28 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1ajr h LYS 213 Cb -0.10 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1ajr h LYS 213 CO -0.06 -0.07 0.48 -0.09 -2.27 0.00 0.00 179.45 177.44 1ajr h ARG 214 N -0.11 1.26 -0.43 1.90 2.43 -1.29 -3.04 114.38 115.10 1ajr h ARG 214 Ca -0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1ajr h ARG 214 Cb 0.10 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1ajr h ARG 214 CO -0.00 0.93 0.00 0.54 -1.51 0.00 0.00 179.97 179.92 1ajr n ARG 215 N -4.32 2.45 -3.58 0.20 1.74 -0.72 -4.96 116.66 107.46 1ajr n ARG 215 Ca 0.09 -2.20 -0.22 0.00 -0.77 0.00 0.00 57.85 54.76 1ajr n ARG 215 Cb 0.11 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.37 -2.46 -3.18 -1.55 3.72 -0.80 -2.92 117.46 111.65 1ajr n PHE 216 Ca 0.20 0.96 -0.39 0.00 -0.05 0.00 0.00 57.45 58.17 1ajr n PHE 216 Cb 0.57 -4.87 -0.06 0.00 -0.94 0.00 0.00 39.48 34.18 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 -6.89 4.48 -0.19 4.37 1.43 -0.31 -1.44 118.68 120.13 1ajr s LEU 217 Ca 0.31 1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 54.50 1ajr s LEU 217 Cb -0.14 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 1ajr s LEU 217 CO 0.75 0.17 0.56 0.12 0.23 0.00 0.00 176.35 178.18 1ajr s PHE 218 N -0.61 3.39 -0.32 0.29 5.36 -0.21 -4.75 117.98 121.12 1ajr s PHE 218 Ca 0.32 0.85 -0.25 0.00 -0.96 0.00 0.00 56.93 56.89 1ajr s PHE 218 Cb -0.19 -2.72 0.01 0.00 -0.34 0.00 0.00 43.02 39.78 1ajr s PHE 218 CO 0.19 -0.11 0.85 -1.25 -1.46 0.00 0.00 175.22 173.44 1ajr s PRO 219 N 1.66 3.94 -0.53 10.12 0.04 -1.26 -0.42 135.00 148.54 1ajr s PRO 219 Ca 0.26 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 1ajr s PRO 219 Cb -0.16 -3.75 0.14 0.00 0.04 0.00 0.00 34.50 30.77 1ajr s PRO 219 CO 0.10 -0.76 0.33 0.12 0.04 0.00 0.00 177.00 176.83 1ajr s PHE 220 N 3.14 3.47 0.32 0.56 2.19 0.32 -2.26 117.98 125.71 1ajr s PHE 220 Ca 0.35 -2.62 -0.27 0.00 0.33 0.00 0.00 56.93 54.72 1ajr s PHE 220 Cb -0.13 -3.19 -0.09 0.00 -1.31 0.00 0.00 43.02 38.29 1ajr s PHE 220 CO 0.14 -0.89 1.01 -0.06 1.83 0.00 0.00 175.22 177.25 1ajr s PHE 221 N 0.42 3.60 -0.28 10.12 0.08 -0.11 -0.90 117.98 130.92 1ajr s PHE 221 Ca 0.13 1.75 -0.02 0.00 0.12 0.00 0.00 56.93 58.92 1ajr s PHE 221 Cb -0.22 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1ajr s PHE 221 CO -0.04 -0.17 -0.03 0.34 -0.10 0.00 0.00 175.22 175.23 1ajr s ASP 222 N -1.33 4.67 -0.52 1.36 -1.08 0.23 -0.61 116.67 119.39 1ajr s ASP 222 Ca 0.49 -1.13 0.03 0.00 -0.52 0.00 0.00 52.55 51.43 1ajr s ASP 222 Cb -0.24 -1.69 0.13 0.00 -1.46 0.00 0.00 42.92 39.66 1ajr s ASP 222 CO 0.31 -0.21 0.26 -0.55 0.52 0.00 0.00 175.17 175.50 1ajr s SER 223 N 1.28 4.42 0.00 -0.34 0.15 0.13 -1.54 113.70 117.80 1ajr s SER 223 Ca -0.03 -2.94 0.17 0.00 0.70 0.00 0.00 55.95 53.84 1ajr s SER 223 Cb -0.19 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1ajr s SER 223 CO -0.02 -0.25 0.84 0.00 1.20 0.00 0.00 173.24 175.00 1ajr n ALA 224 N 3.22 3.37 -1.91 5.45 0.00 -1.26 -1.54 120.51 127.84 1ajr n ALA 224 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1ajr n ALA 224 Cb 0.33 -0.59 0.11 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.35 0.00 -1.74 0.00 4.01 -1.26 -4.48 117.16 113.34 1ajr n TYR 225 Ca 0.06 -0.91 -0.42 0.00 -0.16 0.00 0.00 57.90 56.47 1ajr n TYR 225 Cb 0.33 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1ajr n TYR 225 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1ajr s GLN 226 N -1.66 4.14 0.00 -0.72 0.74 -1.26 -1.36 119.66 119.54 1ajr s GLN 226 Ca 0.32 2.58 0.00 0.00 0.05 0.00 0.00 55.36 58.30 1ajr s GLN 226 Cb 0.33 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 31.09 1ajr s GLN 226 CO -0.09 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.28 1ajr n GLY 227 N 4.09 1.80 0.37 2.59 0.00 -1.26 -4.65 105.19 108.12 1ajr n GLY 227 Ca 0.17 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 1.11 0.37 1.61 3.04 -1.77 0.24 116.94 121.54 1ajr h PHE 228 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ajr h PHE 228 Cb 0.00 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.15 1ajr h PHE 228 CO 0.00 0.61 -0.18 0.00 -2.02 0.00 0.00 178.31 176.72 1ajr h ALA 229 N 1.48 -0.50 0.00 2.41 0.00 -1.48 -3.37 119.26 117.79 1ajr h ALA 229 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ajr h ALA 229 Cb 0.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ajr h ALA 229 CO -0.13 -0.74 -0.06 -1.13 0.00 0.00 0.00 179.25 177.19 1ajr n SER 230 N -5.27 0.12 0.00 0.00 3.41 -1.21 -4.07 113.62 106.59 1ajr n SER 230 Ca -0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1ajr n SER 230 Cb 0.24 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 1.04 1.38 3.17 5.00 0.00 0.84 -4.92 105.19 111.71 1ajr n GLY 231 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.67 4.66 0.23 1.61 3.84 -1.25 -4.63 114.94 116.73 1ajr s ASN 232 Ca 0.00 -1.14 -0.07 0.00 0.21 0.00 0.00 52.86 51.86 1ajr s ASN 232 Cb 0.00 -1.68 0.22 0.00 -0.55 0.00 0.00 41.25 39.24 1ajr s ASN 232 CO 0.00 -0.21 1.88 -0.07 -2.79 0.00 0.00 177.10 175.92 1ajr h LEU 233 N 7.99 1.10 -0.17 3.21 3.38 -1.93 -1.51 115.31 127.38 1ajr h LEU 233 Ca -0.25 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1ajr h LEU 233 Cb 1.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ajr h LEU 233 CO 0.54 0.84 -0.16 -0.33 0.09 0.00 0.00 178.44 179.43 1ajr h GLU 234 N 1.27 0.41 -0.54 1.13 4.39 -1.94 -2.77 114.58 116.53 1ajr h GLU 234 Ca 0.33 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ajr h GLU 234 Cb -0.06 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1ajr h GLU 234 CO -0.06 0.77 0.32 -0.22 -1.16 0.00 0.00 179.01 178.66 1ajr h LYS 235 N 0.06 0.73 0.00 2.33 3.11 -1.95 -2.22 116.57 118.63 1ajr h LYS 235 Ca 0.03 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1ajr h LYS 235 Cb 0.69 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1ajr h LYS 235 CO 0.04 0.54 -0.04 -0.44 -2.81 0.00 0.00 179.45 176.74 1ajr h ASP 236 N 0.72 0.00 -0.55 4.20 3.32 -1.24 -2.23 116.42 120.63 1ajr h ASP 236 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ajr h ASP 236 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ajr h ASP 236 CO -0.04 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1ajr n ALA 237 N -2.18 2.33 -0.13 3.45 0.00 -0.86 -4.60 120.51 118.51 1ajr n ALA 237 Ca -0.02 -1.19 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 1ajr n ALA 237 Cb 0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 3.65 -0.91 -0.54 0.00 7.01 -1.07 -1.70 115.95 122.39 1ajr h TRP 238 Ca 0.00 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1ajr h TRP 238 Cb 0.90 0.46 -0.03 0.00 -2.10 0.00 0.00 29.16 28.40 1ajr h TRP 238 CO 0.37 -0.38 0.30 0.00 -2.79 0.00 0.00 178.44 175.93 1ajr h ALA 239 N 0.78 0.69 -0.33 2.65 0.00 -1.84 0.10 119.26 121.33 1ajr h ALA 239 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ajr h ALA 239 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ajr h ALA 239 CO -0.56 0.21 0.16 0.82 0.00 0.00 0.00 179.25 179.88 1ajr h ILE 240 N 0.72 0.98 -0.39 0.00 2.04 -1.78 -2.34 117.51 116.74 1ajr h ILE 240 Ca 0.19 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1ajr h ILE 240 Cb 0.05 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1ajr h ILE 240 CO -0.03 0.06 -0.04 0.03 0.00 0.00 0.00 178.15 178.17 1ajr h ARG 241 N 0.33 0.65 -0.29 2.37 3.08 -0.90 -2.05 114.38 117.57 1ajr h ARG 241 Ca 0.14 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ajr h ARG 241 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ajr h ARG 241 CO -0.10 0.70 0.13 -0.92 -1.07 0.00 0.00 179.97 178.71 1ajr h TYR 242 N 0.60 0.42 -0.73 3.04 3.20 -0.50 -0.33 116.97 122.68 1ajr h TYR 242 Ca 0.12 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ajr h TYR 242 Cb 0.44 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1ajr h TYR 242 CO 0.02 0.39 0.43 0.74 -1.64 0.00 0.00 178.16 178.10 1ajr h PHE 243 N 0.32 0.96 0.01 -3.82 -1.00 -1.26 0.58 116.94 112.74 1ajr h PHE 243 Ca 0.10 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 1ajr h PHE 243 Cb 0.14 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1ajr h PHE 243 CO -0.02 0.65 -0.01 0.28 -1.61 0.00 0.00 178.31 177.61 1ajr h VAL 244 N 0.99 1.00 -0.95 -0.55 2.07 -1.09 -1.67 116.25 116.05 1ajr h VAL 244 Ca 0.26 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.91 1ajr h VAL 244 Cb -0.03 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1ajr h VAL 244 CO -0.05 0.01 0.56 0.28 0.02 0.00 0.00 177.57 178.39 1ajr h SER 245 N -0.03 0.75 0.00 0.57 0.02 -0.54 -0.15 113.55 114.18 1ajr h SER 245 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ajr h SER 245 Cb 0.02 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1ajr h SER 245 CO 0.00 0.33 0.00 -0.62 -1.14 0.00 0.00 176.83 175.40 1ajr n GLU 246 N -4.75 0.87 -0.80 3.45 -0.58 0.15 -4.89 120.64 114.09 1ajr n GLU 246 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1ajr n GLU 246 Cb 0.46 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 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 0.60 0.55 3.82 0.62 0.00 -0.07 -5.05 105.19 105.66 1ajr n GLY 247 Ca 0.13 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 3.16 -0.08 1.61 0.40 -0.66 -4.98 117.98 115.43 1ajr s PHE 248 Ca 0.00 1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 57.72 1ajr s PHE 248 Cb 0.00 -2.93 -0.05 0.00 0.51 0.00 0.00 43.02 40.55 1ajr s PHE 248 CO 0.00 -0.86 0.24 -1.21 0.70 0.00 0.00 175.22 174.09 1ajr s GLU 249 N -4.10 3.63 0.27 0.44 2.02 -1.26 -4.69 118.70 115.02 1ajr s GLU 249 Ca 0.62 0.07 -0.20 0.00 0.02 0.00 0.00 54.97 55.48 1ajr s GLU 249 Cb -0.14 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1ajr s GLU 249 CO 0.35 0.74 0.69 -0.48 0.02 0.00 0.00 175.26 176.58 1ajr s LEU 250 N -1.01 -0.19 0.08 1.80 0.05 -0.76 -4.46 118.68 114.19 1ajr s LEU 250 Ca 0.18 -0.64 0.09 0.00 0.05 0.00 0.00 54.13 53.80 1ajr s LEU 250 Cb -0.14 2.60 -0.04 0.00 -2.05 0.00 0.00 46.19 46.57 1ajr s LEU 250 CO 0.07 -1.32 -0.21 -0.36 -0.55 0.00 0.00 176.35 173.99 1ajr s PHE 251 N -3.93 2.48 -0.19 3.48 0.40 -0.96 -1.59 117.98 117.67 1ajr s PHE 251 Ca 0.12 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1ajr s PHE 251 Cb -0.05 -1.38 0.07 0.00 0.51 0.00 0.00 43.02 42.16 1ajr s PHE 251 CO 0.07 0.29 0.09 0.00 0.70 0.00 0.00 175.22 176.37 1ajr s ALA 253 N 2.11 3.36 -0.14 0.00 0.00 0.22 0.30 121.76 127.61 1ajr s ALA 253 Ca 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 1ajr s ALA 253 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1ajr s ALA 253 CO -0.13 -1.73 0.03 -0.65 0.00 0.00 0.00 175.76 173.28 1ajr s GLN 254 N 3.55 3.54 -0.02 0.00 -0.21 0.12 0.17 119.66 126.81 1ajr s GLN 254 Ca 0.38 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 55.44 1ajr s GLN 254 Cb -0.11 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.86 1ajr s GLN 254 CO 0.21 0.46 -0.19 0.45 -2.12 0.00 0.00 175.29 174.10 1ajr s SER 255 N -0.19 3.68 -0.05 5.90 0.15 -0.59 -0.99 113.70 121.60 1ajr s SER 255 Ca 0.06 -0.34 0.13 0.00 0.70 0.00 0.00 55.95 56.50 1ajr s SER 255 Cb -0.12 -0.63 0.39 0.00 -1.71 0.00 0.00 66.02 63.94 1ajr s SER 255 CO 0.02 0.32 1.32 0.49 1.20 0.00 0.00 173.24 176.58 1ajr n PHE 256 N 2.15 0.65 0.16 3.44 3.72 -0.28 -4.67 117.46 122.63 1ajr n PHE 256 Ca -0.17 -0.60 0.01 0.00 -0.05 0.00 0.00 57.45 56.65 1ajr n PHE 256 Cb 0.52 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 39.03 1ajr n PHE 256 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ajr n SER 257 N 0.31 0.00 0.00 4.37 7.64 -1.26 -2.51 113.62 122.17 1ajr n SER 257 Ca 0.15 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1ajr n SER 257 Cb 0.57 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.09 0.00 -0.14 6.43 0.23 -1.26 -0.94 115.26 118.49 1ajr n ASN 259 Ca 0.02 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.12 1ajr n ASN 259 Cb 0.01 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 -2.14 -2.53 3.01 -1.04 -4.84 117.46 109.92 1ajr n PHE 260 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1ajr n PHE 260 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 1.01 0.21 2.24 1.37 0.00 -0.88 -4.65 105.19 104.49 1ajr n GLY 261 Ca 0.03 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.61 7.35 -0.39 0.99 4.77 -0.11 -4.76 117.00 122.24 1ajr n LEU 262 Ca -0.22 -4.02 -0.04 0.00 -0.03 0.00 0.00 56.01 51.69 1ajr n LEU 262 Cb 0.66 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1ajr n LEU 262 CO 0.27 1.37 0.54 -1.22 -1.33 0.00 0.00 177.39 177.02 1ajr n TYR 263 N -0.75 -0.13 1.86 -1.77 4.01 -1.09 -1.04 117.16 118.24 1ajr n TYR 263 Ca 0.57 1.21 0.09 0.00 -0.16 0.00 0.00 57.90 59.62 1ajr n TYR 263 Cb 0.78 -0.76 0.51 0.00 -0.31 0.00 0.00 39.34 39.56 1ajr n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1ajr n ASN 264 N -5.36 0.31 -0.50 7.72 2.04 -1.26 -3.22 115.26 114.99 1ajr n ASN 264 Ca 0.07 -1.48 0.10 0.00 -0.44 0.00 0.00 54.58 52.84 1ajr n ASN 264 Cb 0.34 -0.02 0.01 0.00 -2.53 0.00 0.00 39.78 37.58 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 -0.58 1.44 -3.55 -3.83 -0.58 -0.21 -5.03 120.64 108.30 1ajr n GLU 265 Ca 0.14 -1.03 -0.22 0.00 -0.42 0.00 0.00 57.16 55.63 1ajr n GLU 265 Cb 0.11 -1.41 0.03 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 0.08 -1.34 -3.75 3.49 5.12 -1.20 -4.51 116.66 114.55 1ajr n ARG 266 Ca 0.09 0.77 -0.37 0.00 -1.93 0.00 0.00 57.85 56.42 1ajr n ARG 266 Cb 0.44 -4.15 -0.13 0.00 -1.16 0.00 0.00 32.46 27.46 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 -3.25 4.25 0.21 1.55 1.01 -1.26 -2.27 120.40 120.64 1ajr s VAL 267 Ca 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1ajr s VAL 267 Cb -0.09 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1ajr s VAL 267 CO 0.84 0.29 0.25 -0.83 0.00 0.00 0.00 175.10 175.65 1ajr s GLY 268 N 1.59 1.08 -0.12 4.51 0.00 -0.56 -1.13 107.32 112.70 1ajr s GLY 268 Ca 0.06 -1.38 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 1ajr s GLY 268 CO 0.03 -1.11 0.32 0.21 0.00 0.00 0.00 173.10 172.55 1ajr s ASN 269 N -3.10 -0.34 -0.32 1.64 3.84 -0.16 -1.11 114.94 115.38 1ajr s ASN 269 Ca 0.32 0.66 -0.10 0.00 0.21 0.00 0.00 52.86 53.95 1ajr s ASN 269 Cb 0.04 0.64 -0.00 0.00 -0.55 0.00 0.00 41.25 41.38 1ajr s ASN 269 CO 0.10 -0.13 0.16 -0.22 -2.79 0.00 0.00 177.10 174.23 1ajr s LEU 270 N 0.41 4.23 -0.07 3.21 2.96 0.36 0.16 118.68 129.95 1ajr s LEU 270 Ca -0.02 -0.61 -0.15 0.00 -0.22 0.00 0.00 54.13 53.13 1ajr s LEU 270 Cb -0.04 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1ajr s LEU 270 CO -0.02 -0.23 0.40 -0.89 -1.32 0.00 0.00 176.35 174.29 1ajr s THR 271 N 1.61 5.13 -0.08 3.68 2.01 0.15 -1.06 115.64 127.08 1ajr s THR 271 Ca 0.04 0.81 0.04 0.00 0.31 0.00 0.00 61.69 62.89 1ajr s THR 271 Cb -0.17 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 1ajr s THR 271 CO 0.06 0.47 -0.22 0.68 -0.69 0.00 0.00 174.62 174.93 1ajr s VAL 272 N -0.29 1.85 -0.18 3.82 -7.23 0.13 -0.51 120.40 117.98 1ajr s VAL 272 Ca 0.23 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1ajr s VAL 272 Cb -0.15 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.20 1ajr s VAL 272 CO 0.11 0.51 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.55 1ajr s VAL 273 N 0.26 2.32 0.34 1.32 1.01 -0.62 -0.92 120.40 124.10 1ajr s VAL 273 Ca -0.14 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.08 1ajr s VAL 273 Cb -0.16 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 1ajr s VAL 273 CO 0.06 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.62 1ajr s ALA 274 N 1.23 3.03 0.22 5.51 0.00 -0.58 -1.83 121.76 129.34 1ajr s ALA 274 Ca 0.03 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 49.99 1ajr s ALA 274 Cb -0.14 -0.20 0.21 0.00 0.00 0.00 0.00 23.12 23.00 1ajr s ALA 274 CO -0.09 0.10 1.55 -0.22 0.00 0.00 0.00 175.76 177.10 1ajr h LYS 275 N 1.97 0.38 -4.93 0.00 1.63 -1.90 -3.45 116.57 110.27 1ajr h LYS 275 Ca -0.42 -0.24 -0.38 0.00 -0.85 0.00 0.00 60.65 58.76 1ajr h LYS 275 Cb 1.25 0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.66 1ajr h LYS 275 CO 0.68 0.83 -0.77 -1.21 -3.45 0.00 0.00 179.45 175.53 1ajr s GLU 276 N -3.91 0.73 0.24 1.90 8.01 -1.26 -5.04 118.70 119.37 1ajr s GLU 276 Ca -0.06 -0.65 -0.05 0.00 0.01 0.00 0.00 54.97 54.23 1ajr s GLU 276 Cb 0.12 -0.67 0.37 0.00 -4.31 0.00 0.00 34.13 29.65 1ajr s GLU 276 CO 0.81 0.16 1.83 -1.35 0.01 0.00 0.00 175.26 176.72 1ajr h PRO 277 N 5.02 0.85 -0.41 0.39 0.11 -1.82 -2.77 132.00 133.36 1ajr h PRO 277 Ca -0.35 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1ajr h PRO 277 Cb 1.19 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1ajr h PRO 277 CO 0.44 0.56 0.21 0.38 -0.21 0.00 0.00 178.00 179.38 1ajr h ASP 278 N 0.87 0.50 -0.48 -2.05 2.03 -1.97 -1.43 116.42 113.90 1ajr h ASP 278 Ca 0.39 -0.03 0.06 0.00 -0.73 0.00 0.00 57.03 56.72 1ajr h ASP 278 Cb 0.29 -0.13 -0.03 0.00 -0.83 0.00 0.00 39.33 38.63 1ajr h ASP 278 CO -0.22 0.42 0.32 0.28 -1.03 0.00 0.00 179.24 179.02 1ajr h SER 279 N 0.57 0.36 -0.27 4.15 0.02 -1.91 -2.88 113.55 113.60 1ajr h SER 279 Ca 0.15 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ajr h SER 279 Cb 0.04 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1ajr h SER 279 CO -0.02 0.24 0.16 0.40 -1.14 0.00 0.00 176.83 176.47 1ajr h ILE 280 N 0.41 1.04 -0.69 3.27 1.08 -1.36 -0.44 117.51 120.82 1ajr h ILE 280 Ca 0.21 -0.12 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 1ajr h ILE 280 Cb 0.31 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 1ajr h ILE 280 CO -0.05 0.06 0.36 -0.07 -0.69 0.00 0.00 178.15 177.76 1ajr h LEU 281 N 0.34 0.50 -0.22 1.44 -0.00 -1.63 -0.67 115.31 115.07 1ajr h LEU 281 Ca 0.10 0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1ajr h LEU 281 Cb -0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1ajr h LEU 281 CO -0.04 0.31 -0.16 0.03 -0.00 0.00 0.00 178.44 178.58 1ajr h ARG 282 N 0.64 0.49 -0.11 1.13 3.08 -1.48 -1.98 114.38 116.16 1ajr h ARG 282 Ca 0.33 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ajr h ARG 282 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1ajr h ARG 282 CO -0.23 0.80 0.07 0.28 -1.07 0.00 0.00 179.97 179.82 1ajr h VAL 283 N 0.18 1.03 -0.23 2.04 2.07 -0.89 -2.60 116.25 117.85 1ajr h VAL 283 Ca 0.04 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1ajr h VAL 283 Cb 0.68 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ajr h VAL 283 CO 0.04 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 177.48 1ajr h LEU 284 N 0.15 0.36 -1.22 2.57 3.38 -1.13 -0.44 115.31 118.98 1ajr h LEU 284 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ajr h LEU 284 Cb -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ajr h LEU 284 CO -0.01 0.50 0.37 0.77 0.09 0.00 0.00 178.44 180.16 1ajr h SER 285 N 0.35 0.80 0.61 -0.43 4.64 -1.00 -0.38 113.55 118.14 1ajr h SER 285 Ca 0.07 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.08 1ajr h SER 285 Cb 0.41 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ajr h SER 285 CO 0.02 0.64 -1.12 1.56 -0.87 0.00 0.00 176.83 177.06 1ajr h GLN 286 N 0.91 0.26 -0.85 4.77 1.08 -1.00 -3.20 115.11 117.09 1ajr h GLN 286 Ca 0.24 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1ajr h GLN 286 Cb 0.01 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 1ajr h GLN 286 CO -0.04 1.15 0.39 0.52 -0.95 0.00 0.00 178.83 179.90 1ajr h MET 287 N 0.10 1.23 -0.78 1.46 2.86 -0.50 -2.68 114.93 116.62 1ajr h MET 287 Ca -0.10 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1ajr h MET 287 Cb 1.83 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 33.21 1ajr h MET 287 CO 0.18 0.95 0.46 1.96 1.06 0.00 0.00 176.91 181.52 1ajr h GLN 288 N 1.21 0.80 -0.39 1.72 4.20 -1.08 -0.36 115.11 121.21 1ajr h GLN 288 Ca 0.29 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1ajr h GLN 288 Cb 0.14 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1ajr h GLN 288 CO -0.03 0.53 -0.02 0.87 -0.67 0.00 0.00 178.83 179.51 1ajr h LYS 289 N 0.82 0.63 -0.19 1.46 1.57 -1.50 -0.66 116.57 118.70 1ajr h LYS 289 Ca 0.35 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1ajr h LYS 289 Cb 0.21 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ajr h LYS 289 CO -0.19 0.67 -0.28 0.82 -0.57 0.00 0.00 179.45 179.90 1ajr h ILE 290 N 0.60 1.34 -0.50 1.86 2.04 -1.18 -3.21 117.51 118.45 1ajr h ILE 290 Ca 0.12 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 1ajr h ILE 290 Cb 0.40 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1ajr h ILE 290 CO 0.02 0.45 0.22 0.58 0.00 0.00 0.00 178.15 179.42 1ajr h VAL 291 N 0.18 1.20 -0.92 1.67 2.07 -0.89 -3.07 116.25 116.49 1ajr h VAL 291 Ca 0.02 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1ajr h VAL 291 Cb 0.86 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1ajr h VAL 291 CO 0.06 0.23 0.59 -0.09 0.02 0.00 0.00 177.57 178.39 1ajr h ARG 292 N 0.67 0.59 -0.16 1.57 2.43 -1.12 0.40 114.38 118.75 1ajr h ARG 292 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ajr h ARG 292 Cb 0.16 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ajr h ARG 292 CO -0.02 0.39 0.00 1.55 -1.51 0.00 0.00 179.97 180.38 1ajr n VAL 293 N -4.58 0.20 -0.01 0.20 3.14 -1.18 -3.23 118.33 112.87 1ajr n VAL 293 Ca 0.19 -0.44 -0.03 0.00 -2.96 0.00 0.00 64.34 61.10 1ajr n VAL 293 Cb 0.56 0.71 -0.01 0.00 -1.06 0.00 0.00 33.84 34.05 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 0.72 1.21 -0.55 1.55 -1.04 -0.01 -4.91 114.28 111.25 1ajr n THR 294 Ca 0.17 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1ajr n THR 294 Cb 0.44 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 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 -3.76 0.00 0.00 -1.42 2.14 -0.49 -5.05 117.44 108.86 1ajr n TRP 295 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1ajr n TRP 295 Cb 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 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 -0.01 0.00 -3.47 -0.67 2.88 -0.35 -4.69 113.62 107.31 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 -0.03 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 -0.57 0.49 -3.46 2.20 -1.26 -4.31 114.94 108.04 1ajr s ASN 297 Ca 0.00 0.24 -0.03 0.00 -0.94 0.00 0.00 52.86 52.13 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 -0.80 0.77 -2.16 -2.94 0.00 0.00 177.10 171.97 1ajr s PRO 298 N -2.79 3.22 0.69 3.55 0.04 -1.26 -5.03 135.00 133.41 1ajr s PRO 298 Ca -0.02 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.79 1ajr s PRO 298 Cb -0.01 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1ajr s PRO 298 CO -0.05 -0.34 1.08 -1.25 0.04 0.00 0.00 177.00 176.49 1ajr s PRO 299 N -4.73 2.76 -0.18 0.56 0.04 -1.26 -4.64 135.00 127.55 1ajr s PRO 299 Ca 0.49 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 1ajr s PRO 299 Cb -0.10 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.26 1ajr s PRO 299 CO 0.42 -1.25 0.09 0.00 0.04 0.00 0.00 177.00 176.30 1ajr n ALA 300 N -2.82 1.13 -0.09 8.56 0.00 -1.26 -4.53 120.51 121.49 1ajr n ALA 300 Ca 0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1ajr n ALA 300 Cb 0.53 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 -0.43 -0.22 0.00 5.75 -1.95 -0.20 115.11 118.06 1ajr h GLN 301 Ca -0.50 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1ajr h GLN 301 Cb 1.96 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.59 1ajr h GLN 301 CO -0.00 -0.29 0.14 0.78 -2.65 0.00 0.00 178.83 176.81 1ajr h GLY 302 N -0.45 0.31 1.31 2.39 0.00 -1.84 -2.30 103.07 102.49 1ajr h GLY 302 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ajr h GLY 302 CO -0.54 0.11 0.41 0.00 0.00 0.00 0.00 176.54 176.52 1ajr h ALA 303 N 1.09 1.44 -0.46 3.60 0.00 -1.72 -1.64 119.26 121.56 1ajr h ALA 303 Ca 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ajr h ALA 303 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1ajr h ALA 303 CO -0.02 0.49 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 1ajr h ARG 304 N 0.93 0.85 -0.07 0.00 3.08 -0.71 0.65 114.38 119.11 1ajr h ARG 304 Ca 0.24 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ajr h ARG 304 Cb -0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1ajr h ARG 304 CO -0.05 0.93 0.01 0.82 -1.07 0.00 0.00 179.97 180.61 1ajr h ILE 305 N 0.76 1.21 -0.14 2.04 2.04 -0.96 -0.97 117.51 121.50 1ajr h ILE 305 Ca 0.12 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1ajr h ILE 305 Cb 0.63 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1ajr h ILE 305 CO 0.04 0.18 0.06 0.58 0.00 0.00 0.00 178.15 179.01 1ajr h VAL 306 N -0.11 1.14 -0.78 1.67 2.07 -1.17 -1.41 116.25 117.66 1ajr h VAL 306 Ca 0.02 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ajr h VAL 306 Cb 0.28 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1ajr h VAL 306 CO 0.00 0.13 0.52 0.00 0.02 0.00 0.00 177.57 178.24 1ajr h ALA 307 N 0.91 0.99 -0.55 1.67 0.00 -0.87 -1.32 119.26 120.08 1ajr h ALA 307 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ajr h ALA 307 Cb 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ajr h ALA 307 CO -0.00 0.40 0.26 -0.09 0.00 0.00 0.00 179.25 179.82 1ajr h ARG 308 N 1.06 0.80 0.10 0.00 9.65 -1.00 -2.32 114.38 122.66 1ajr h ARG 308 Ca 0.29 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1ajr h ARG 308 Cb -0.12 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.32 1ajr h ARG 308 CO -0.06 0.67 -0.05 1.15 2.80 0.00 0.00 179.97 184.48 1ajr h THR 309 N 0.75 1.04 0.00 0.20 2.02 -0.92 -2.91 112.91 113.09 1ajr h THR 309 Ca 0.19 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ajr h THR 309 Cb 0.13 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ajr h THR 309 CO -0.02 0.13 -0.04 -0.07 0.37 0.00 0.00 175.52 175.88 1ajr h LEU 310 N -0.37 0.00 -0.85 2.58 3.38 -1.27 -2.59 115.31 116.18 1ajr h LEU 310 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ajr h LEU 310 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ajr h LEU 310 CO 0.02 0.04 -0.47 -1.54 0.09 0.00 0.00 178.44 176.58 1ajr n SER 311 N -3.16 1.79 -4.24 -0.43 3.41 -0.88 -4.80 113.62 105.31 1ajr n SER 311 Ca 0.00 -1.37 -0.35 0.00 -0.26 0.00 0.00 58.87 56.89 1ajr n SER 311 Cb 0.32 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.52 4.51 0.29 4.04 -1.08 -1.10 -5.00 116.67 115.81 1ajr s ASP 312 Ca 0.19 -0.80 0.03 0.00 -0.52 0.00 0.00 52.55 51.45 1ajr s ASP 312 Cb 0.18 -1.72 0.66 0.00 -1.46 0.00 0.00 42.92 40.58 1ajr s ASP 312 CO 0.58 -0.14 1.76 -0.65 0.52 0.00 0.00 175.17 177.25 1ajr h PRO 313 N 8.07 0.66 -0.39 4.34 0.11 -1.87 0.28 132.00 143.20 1ajr h PRO 313 Ca -0.33 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1ajr h PRO 313 Cb 1.12 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ajr h PRO 313 CO 0.58 0.44 -0.13 1.49 -0.21 0.00 0.00 178.00 180.17 1ajr h GLU 314 N 0.68 0.77 -0.47 1.05 4.81 -1.94 -0.96 114.58 118.52 1ajr h GLU 314 Ca 0.54 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1ajr h GLU 314 Cb 0.83 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1ajr h GLU 314 CO -0.39 0.92 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.52 1ajr h LEU 315 N 0.58 1.01 -0.26 1.64 3.38 -1.59 -2.11 115.31 117.96 1ajr h LEU 315 Ca 0.09 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1ajr h LEU 315 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ajr h LEU 315 CO 0.04 1.19 0.11 0.15 0.09 0.00 0.00 178.44 180.03 1ajr h PHE 316 N 0.85 0.21 -0.47 1.13 3.57 -0.06 0.42 116.94 122.59 1ajr h PHE 316 Ca 0.11 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ajr h PHE 316 Cb 0.81 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1ajr h PHE 316 CO 0.05 0.11 0.28 1.25 -2.23 0.00 0.00 178.31 177.77 1ajr h HIS 317 N 0.25 0.52 -0.80 0.41 2.76 -1.09 -0.28 115.15 116.92 1ajr h HIS 317 Ca 0.11 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1ajr h HIS 317 Cb 0.06 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1ajr h HIS 317 CO -0.11 0.30 0.32 1.49 -1.30 0.00 0.00 177.93 178.64 1ajr h GLU 318 N 0.56 1.19 -0.25 5.26 4.81 -0.96 -2.64 114.58 122.55 1ajr h GLU 318 Ca 0.19 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1ajr h GLU 318 Cb 0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1ajr h GLU 318 CO -0.08 0.96 0.06 2.35 -0.73 0.00 0.00 179.01 181.56 1ajr h TRP 319 N 1.16 0.42 -0.73 0.92 7.01 -0.45 -1.71 115.95 122.56 1ajr h TRP 319 Ca 0.27 -0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.33 1ajr h TRP 319 Cb 0.21 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 1ajr h TRP 319 CO 0.02 0.49 0.48 1.79 -2.79 0.00 0.00 178.44 178.43 1ajr h THR 320 N 0.22 0.87 -0.29 2.65 1.35 -0.90 0.13 112.91 116.94 1ajr h THR 320 Ca 0.08 -0.18 -0.07 0.00 -0.55 0.00 0.00 66.41 65.69 1ajr h THR 320 Cb 0.28 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1ajr h THR 320 CO 0.00 0.10 -0.08 1.23 -0.25 0.00 0.00 175.52 176.51 1ajr h GLY 321 N 0.53 0.62 1.01 5.82 0.00 -1.09 -1.89 103.07 108.07 1ajr h GLY 321 Ca 0.35 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ajr h GLY 321 CO -0.12 0.48 0.46 3.43 0.00 0.00 0.00 176.54 180.79 1ajr h ASN 322 N 0.33 0.98 -0.45 0.19 -0.26 -0.25 -1.30 115.58 114.82 1ajr h ASN 322 Ca 0.07 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1ajr h ASN 322 Cb 0.57 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1ajr h ASN 322 CO 0.03 0.77 0.08 0.58 -1.06 0.00 0.00 177.43 177.84 1ajr h VAL 323 N 1.10 1.24 -0.92 2.81 2.07 -0.74 -2.84 116.25 118.98 1ajr h VAL 323 Ca 0.29 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ajr h VAL 323 Cb -0.01 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1ajr h VAL 323 CO -0.05 0.31 0.61 0.50 0.02 0.00 0.00 177.57 178.95 1ajr h LYS 324 N 0.60 1.20 -0.46 1.57 3.64 -1.06 -1.17 116.57 120.88 1ajr h LYS 324 Ca 0.14 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1ajr h LYS 324 Cb 0.36 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1ajr h LYS 324 CO 0.01 0.79 0.09 1.15 -2.27 0.00 0.00 179.45 179.22 1ajr h THR 325 N 1.23 0.75 -0.12 1.00 2.02 -1.01 0.22 112.91 116.99 1ajr h THR 325 Ca 0.34 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1ajr h THR 325 Cb -0.13 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1ajr h THR 325 CO -0.08 0.04 0.05 0.24 0.37 0.00 0.00 175.52 176.14 1ajr h MET 326 N 0.22 0.18 -0.50 6.66 2.86 -1.20 -2.03 114.93 121.12 1ajr h MET 326 Ca 0.23 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1ajr h MET 326 Cb 0.29 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1ajr h MET 326 CO -0.30 0.29 0.33 0.00 1.06 0.00 0.00 176.91 178.29 1ajr h ALA 327 N 0.88 0.64 -0.81 6.32 0.00 -0.88 -2.04 119.26 123.37 1ajr h ALA 327 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ajr h ALA 327 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ajr h ALA 327 CO -0.00 0.07 0.37 -0.44 0.00 0.00 0.00 179.25 179.25 1ajr h ASP 328 N 0.67 1.07 -0.69 0.00 3.32 -0.52 -0.76 116.42 119.51 1ajr h ASP 328 Ca 0.19 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ajr h ASP 328 Cb -0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 1ajr h ASP 328 CO -0.05 0.91 0.24 -0.09 -1.72 0.00 0.00 179.24 178.54 1ajr h ARG 329 N 1.16 1.05 -0.27 3.56 2.43 -1.02 -1.44 114.38 119.85 1ajr h ARG 329 Ca 0.28 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1ajr h ARG 329 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1ajr h ARG 329 CO -0.03 0.89 0.01 0.82 -1.51 0.00 0.00 179.97 180.15 1ajr h ILE 330 N 1.00 1.25 -0.88 1.20 2.04 -0.84 -1.71 117.51 119.58 1ajr h ILE 330 Ca 0.23 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.27 1ajr h ILE 330 Cb 0.26 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1ajr h ILE 330 CO -0.01 0.29 0.53 -0.07 0.00 0.00 0.00 178.15 178.88 1ajr h LEU 331 N 0.27 0.79 0.03 1.44 3.38 -1.02 -1.36 115.31 118.84 1ajr h LEU 331 Ca 0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ajr h LEU 331 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ajr h LEU 331 CO 0.01 0.47 -0.01 -1.28 0.09 0.00 0.00 178.44 177.71 1ajr h SER 332 N 0.90 -0.03 -0.44 -0.43 0.87 -1.06 -1.18 113.55 112.18 1ajr h SER 332 Ca 0.41 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1ajr h SER 332 Cb 0.31 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1ajr h SER 332 CO -0.22 0.08 0.20 0.24 -0.53 0.00 0.00 176.83 176.60 1ajr h MET 333 N -0.15 0.69 -0.17 2.24 2.86 -0.88 -0.06 114.93 119.47 1ajr h MET 333 Ca -0.00 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1ajr h MET 333 Cb 0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1ajr h MET 333 CO 0.01 0.56 -0.05 0.00 1.06 0.00 0.00 176.91 178.49 1ajr h ARG 334 N 0.69 0.33 -0.55 1.72 3.08 -0.99 -0.34 114.38 118.32 1ajr h ARG 334 Ca 0.17 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1ajr h ARG 334 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ajr h ARG 334 CO -0.02 0.61 -0.09 0.66 -1.07 0.00 0.00 179.97 180.06 1ajr h SER 335 N 0.03 1.03 -0.44 7.04 4.64 -0.94 -1.63 113.55 123.29 1ajr h SER 335 Ca 0.04 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 1ajr h SER 335 Cb 0.49 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1ajr h SER 335 CO 0.02 1.13 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.75 1ajr h GLU 336 N 0.92 0.79 -0.21 4.77 4.39 -0.99 -1.08 114.58 123.16 1ajr h GLU 336 Ca 0.15 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1ajr h GLU 336 Cb 0.66 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ajr h GLU 336 CO 0.05 0.87 0.10 1.25 -1.16 0.00 0.00 179.01 180.11 1ajr h LEU 337 N 0.63 0.27 -0.10 1.33 6.46 -0.91 -1.85 115.31 121.14 1ajr h LEU 337 Ca 0.12 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ajr h LEU 337 Cb 0.53 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1ajr h LEU 337 CO 0.03 0.32 0.05 -0.09 -0.62 0.00 0.00 178.44 178.13 1ajr h ARG 338 N 0.20 0.11 -0.58 1.25 1.12 -1.21 -0.60 114.38 114.68 1ajr h ARG 338 Ca 0.07 -0.01 0.09 0.00 -1.11 0.00 0.00 59.98 59.03 1ajr h ARG 338 Cb 0.12 -0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 29.99 1ajr h ARG 338 CO -0.01 0.07 0.18 0.00 -3.11 0.00 0.00 179.97 177.10 1ajr h ALA 339 N 1.05 0.72 -0.46 2.80 0.00 -1.11 -0.63 119.26 121.61 1ajr h ALA 339 Ca 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ajr h ALA 339 Cb -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ajr h ALA 339 CO -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 179.25 178.92 1ajr h ARG 340 N 0.34 0.86 -0.81 0.00 3.08 -1.02 0.69 114.38 117.53 1ajr h ARG 340 Ca 0.29 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ajr h ARG 340 Cb 0.38 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1ajr h ARG 340 CO -0.33 0.95 0.40 -0.07 -1.07 0.00 0.00 179.97 179.85 1ajr h LEU 341 N 0.71 1.04 -0.43 3.04 3.38 -0.55 -2.05 115.31 120.45 1ajr h LEU 341 Ca 0.12 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1ajr h LEU 341 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ajr h LEU 341 CO 0.04 0.86 -0.74 -0.33 0.09 0.00 0.00 178.44 178.36 1ajr h GLU 342 N 1.14 0.31 -0.14 1.13 5.08 -0.96 -1.04 114.58 120.11 1ajr h GLU 342 Ca 0.28 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1ajr h GLU 342 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ajr h GLU 342 CO -0.04 0.92 -0.22 0.00 -1.00 0.00 0.00 179.01 178.67 1ajr h ALA 343 N 1.01 1.39 -0.01 3.43 0.00 -0.48 -1.31 119.26 123.28 1ajr h ALA 343 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ajr h ALA 343 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ajr h ALA 343 CO 0.12 0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1ajr n LEU 344 N -4.20 0.51 -3.74 0.00 4.77 -0.80 -4.90 117.00 108.65 1ajr n LEU 344 Ca -0.01 -0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 1ajr n LEU 344 Cb 0.33 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1ajr n LEU 344 CO 0.39 0.09 0.00 0.29 -1.33 0.00 0.00 177.39 176.83 1ajr n LYS 345 N -0.58 -5.29 -2.21 3.23 4.76 -0.50 -4.90 118.16 112.67 1ajr n LYS 345 Ca 0.21 0.63 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 1ajr n LYS 345 Cb 0.19 -5.32 -0.03 0.00 -1.84 0.00 0.00 35.03 28.03 1ajr n LYS 345 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ajr s THR 346 N -3.55 3.13 0.41 -0.18 2.01 -0.40 -4.95 115.64 112.12 1ajr s THR 346 Ca 0.20 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 62.91 1ajr s THR 346 Cb -0.10 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1ajr s THR 346 CO 0.81 0.16 1.36 -2.65 -0.69 0.00 0.00 174.62 173.61 1ajr n PRO 347 N 2.26 2.17 0.00 4.92 -0.02 -1.26 -4.80 135.00 138.27 1ajr n PRO 347 Ca 0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ajr n PRO 347 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1ajr n PRO 347 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajr n GLY 348 N 0.68 -3.27 3.79 -1.23 0.00 -1.26 -4.98 105.19 98.91 1ajr n GLY 348 Ca 0.05 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1ajr n GLY 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ajr s THR 349 N -0.64 4.80 -0.07 2.61 -4.23 -1.26 -5.01 115.64 111.84 1ajr s THR 349 Ca 0.00 -0.35 0.10 0.00 -1.18 0.00 0.00 61.69 60.25 1ajr s THR 349 Cb 0.00 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.80 1ajr s THR 349 CO 0.00 0.37 1.07 0.79 -0.54 0.00 0.00 174.62 176.31 1ajr n TRP 350 N 1.25 0.00 0.33 3.99 7.02 -1.26 -4.75 117.44 124.02 1ajr n TRP 350 Ca -0.13 -0.53 0.15 0.00 -1.02 0.00 0.00 57.50 55.97 1ajr n TRP 350 Cb 0.53 -0.10 0.53 0.00 -2.42 0.00 0.00 31.31 29.85 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 0.00 0.00 0.08 -0.99 -1.07 -1.98 -2.50 115.58 109.13 1ajr h ASN 351 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1ajr h ASN 351 Cb 1.16 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1ajr h ASN 351 CO 0.00 0.00 -0.06 1.12 0.07 0.00 0.00 177.43 178.56 1ajr h HIS 352 N 0.00 0.00 0.00 4.14 2.07 -1.87 0.41 115.15 119.90 1ajr h HIS 352 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1ajr h HIS 352 Cb 0.58 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.56 1ajr h HIS 352 CO 0.00 0.06 -0.12 0.82 -3.07 0.00 0.00 177.93 175.62 1ajr h ILE 353 N 0.00 1.02 0.00 6.12 1.08 -1.81 -0.79 117.51 123.13 1ajr h ILE 353 Ca -0.00 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1ajr h ILE 353 Cb 0.12 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1ajr h ILE 353 CO 0.01 0.12 -1.17 1.07 -0.69 0.00 0.00 178.15 177.49 1ajr n THR 354 N -4.30 0.00 0.08 -0.27 5.66 -0.78 -4.33 114.28 110.35 1ajr n THR 354 Ca -0.03 -0.25 -0.10 0.00 -3.05 0.00 0.00 64.05 60.62 1ajr n THR 354 Cb 0.20 0.57 -0.11 0.00 -1.55 0.00 0.00 70.33 69.44 1ajr n THR 354 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1ajr h ASP 355 N 0.00 0.17 -4.23 1.09 3.32 -0.67 -3.45 116.42 112.65 1ajr h ASP 355 Ca 0.00 -0.17 -0.51 0.00 0.02 0.00 0.00 57.03 56.37 1ajr h ASP 355 Cb 0.49 -0.05 0.14 0.00 0.22 0.00 0.00 39.33 40.13 1ajr h ASP 355 CO 0.00 1.11 0.29 -1.10 -1.72 0.00 0.00 179.24 177.82 1ajr s GLN 356 N -2.77 1.84 -0.01 3.56 -0.21 -0.33 -4.84 119.66 116.90 1ajr s GLN 356 Ca -0.01 1.10 0.02 0.00 0.02 0.00 0.00 55.36 56.50 1ajr s GLN 356 Cb 0.09 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.24 1ajr s GLN 356 CO 0.84 -1.92 -0.08 0.42 -2.12 0.00 0.00 175.29 172.43 1ajr s ILE 357 N -2.88 0.62 0.00 1.08 1.01 0.83 -4.99 121.20 116.86 1ajr s ILE 357 Ca 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1ajr s ILE 357 Cb -0.18 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1ajr s ILE 357 CO 0.57 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1ajr n GLY 358 N 2.90 -2.08 0.26 6.18 0.00 -1.26 -4.40 105.19 106.81 1ajr n GLY 358 Ca -0.13 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 0.82 -5.98 1.61 2.86 -1.93 -3.46 114.93 108.85 1ajr h MET 359 Ca 0.00 -0.36 -0.61 0.00 -2.06 0.00 0.00 59.70 56.66 1ajr h MET 359 Cb 0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1ajr h MET 359 CO 0.00 1.00 -0.32 -0.06 1.06 0.00 0.00 176.91 178.58 1ajr s PHE 360 N -4.53 3.59 -0.01 -0.22 0.08 -1.26 0.40 117.98 116.03 1ajr s PHE 360 Ca -0.10 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1ajr s PHE 360 Cb 0.12 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 1ajr s PHE 360 CO 0.85 0.58 0.01 0.45 -0.10 0.00 0.00 175.22 177.01 1ajr s SER 361 N -1.67 0.06 -0.48 1.36 0.15 0.22 -3.45 113.70 109.90 1ajr s SER 361 Ca 0.29 0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.75 1ajr s SER 361 Cb -0.14 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1ajr s SER 361 CO 0.16 -0.06 0.65 -0.36 1.20 0.00 0.00 173.24 174.84 1ajr s PHE 362 N 0.48 3.04 0.21 3.44 0.40 -0.95 -1.22 117.98 123.37 1ajr s PHE 362 Ca -0.04 -0.30 0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1ajr s PHE 362 Cb -0.06 -3.48 0.30 0.00 0.51 0.00 0.00 43.02 40.29 1ajr s PHE 362 CO -0.01 -0.99 1.57 1.79 0.70 0.00 0.00 175.22 178.28 1ajr h THR 363 N 5.87 1.36 0.00 0.64 1.35 -1.73 -3.48 112.91 116.93 1ajr h THR 363 Ca -0.27 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1ajr h THR 363 Cb 1.09 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1ajr h THR 363 CO 0.94 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 177.44 1ajr n GLY 364 N 0.48 0.59 3.76 5.82 0.00 -1.26 -5.03 105.19 109.55 1ajr n GLY 364 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 4.09 0.58 0.99 1.43 -1.26 -5.02 118.68 119.49 1ajr s LEU 365 Ca 0.00 2.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.80 1ajr s LEU 365 Cb 0.00 -4.02 0.04 0.00 0.03 0.00 0.00 46.19 42.24 1ajr s LEU 365 CO 0.00 -1.08 0.83 0.54 0.23 0.00 0.00 176.35 176.86 1ajr s ASN 366 N -0.79 5.20 0.35 2.29 2.20 -1.26 -4.29 114.94 118.65 1ajr s ASN 366 Ca 0.61 0.11 0.04 0.00 -0.94 0.00 0.00 52.86 52.69 1ajr s ASN 366 Cb -0.39 -0.96 0.70 0.00 -2.00 0.00 0.00 41.25 38.59 1ajr s ASN 366 CO 0.49 -1.22 1.97 -0.65 -2.94 0.00 0.00 177.10 174.75 1ajr h PRO 367 N -0.07 0.78 -0.58 3.55 0.11 -1.96 0.44 132.00 134.28 1ajr h PRO 367 Ca -0.43 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1ajr h PRO 367 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1ajr h PRO 367 CO 0.54 0.52 0.05 0.87 -0.21 0.00 0.00 178.00 179.77 1ajr h LYS 368 N 0.81 0.99 -0.49 1.05 1.79 -1.92 -0.79 116.57 118.01 1ajr h LYS 368 Ca 0.29 -0.29 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1ajr h LYS 368 Cb 0.15 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1ajr h LYS 368 CO -0.09 0.96 -0.00 1.96 -1.08 0.00 0.00 179.45 181.20 1ajr h GLN 369 N 0.89 0.82 -0.25 3.15 4.20 -1.55 -2.38 115.11 119.99 1ajr h GLN 369 Ca 0.17 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1ajr h GLN 369 Cb 0.48 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1ajr h GLN 369 CO 0.02 0.82 0.08 0.28 -0.67 0.00 0.00 178.83 179.36 1ajr h VAL 370 N 0.76 1.19 -0.70 -0.54 2.07 -0.51 -2.39 116.25 116.14 1ajr h VAL 370 Ca 0.15 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1ajr h VAL 370 Cb 0.47 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1ajr h VAL 370 CO 0.02 0.20 0.34 -0.33 0.02 0.00 0.00 177.57 177.82 1ajr h GLU 371 N 0.23 0.57 -0.30 1.57 5.08 -0.95 -1.31 114.58 119.47 1ajr h GLU 371 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ajr h GLU 371 Cb 0.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1ajr h GLU 371 CO -0.00 0.38 0.15 -0.92 -1.00 0.00 0.00 179.01 177.61 1ajr h TYR 372 N 0.58 0.42 -0.95 4.33 5.03 -1.32 -0.50 116.97 124.56 1ajr h TYR 372 Ca 0.35 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 1ajr h TYR 372 Cb 0.37 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.47 1ajr h TYR 372 CO -0.11 0.37 0.58 -0.07 -1.32 0.00 0.00 178.16 177.61 1ajr h LEU 373 N 0.35 1.13 0.38 2.82 3.38 -0.81 0.13 115.31 122.69 1ajr h LEU 373 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ajr h LEU 373 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ajr h LEU 373 CO -0.01 0.86 -0.18 0.40 0.09 0.00 0.00 178.44 179.59 1ajr h ILE 374 N 1.30 0.00 0.05 1.22 2.04 -0.97 1.00 117.51 122.15 1ajr h ILE 374 Ca 0.34 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ajr h ILE 374 Cb -0.08 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 35.98 1ajr h ILE 374 CO -0.07 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.70 1ajr h ASN 375 N -1.03 -0.45 0.27 1.72 2.35 -1.15 -0.69 115.58 116.60 1ajr h ASN 375 Ca -0.05 0.06 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 1ajr h ASN 375 Cb 0.39 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1ajr h ASN 375 CO 0.08 -0.23 -1.87 1.56 -1.65 0.00 0.00 177.43 175.33 1ajr h GLN 376 N -0.29 0.18 -0.01 0.81 1.08 -0.90 -3.40 115.11 112.58 1ajr h GLN 376 Ca 0.04 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ajr h GLN 376 Cb 0.33 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1ajr h GLN 376 CO -0.12 0.97 -0.54 1.63 -0.95 0.00 0.00 178.83 179.82 1ajr n LYS 377 N -3.33 1.59 -2.33 1.46 4.76 -0.51 -4.97 118.16 114.82 1ajr n LYS 377 Ca -0.26 -0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 54.56 1ajr n LYS 377 Cb 1.05 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 32.94 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 -0.65 -0.74 -3.77 2.13 8.25 -0.17 -4.69 115.22 115.59 1ajr n HIS 378 Ca 0.05 0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 1ajr n HIS 378 Cb 0.32 -3.00 -0.13 0.00 1.12 0.00 0.00 29.99 28.30 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 -2.72 3.75 -0.28 1.59 1.01 0.17 -1.25 121.20 123.47 1ajr s ILE 379 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 1ajr s ILE 379 Cb -0.01 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1ajr s ILE 379 CO 0.04 -0.12 0.49 -0.31 0.00 0.00 0.00 174.94 175.04 1ajr s TYR 380 N 1.41 3.25 0.20 3.97 1.51 -0.22 -2.52 117.35 124.95 1ajr s TYR 380 Ca -0.01 0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 56.44 1ajr s TYR 380 Cb -0.19 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 38.93 1ajr s TYR 380 CO 0.02 -0.32 0.43 -0.48 -1.11 0.00 0.00 175.55 174.10 1ajr s LEU 381 N 2.29 0.44 0.52 -1.29 2.34 -1.26 0.20 118.68 121.92 1ajr s LEU 381 Ca 0.20 -0.74 -0.17 0.00 0.06 0.00 0.00 54.13 53.48 1ajr s LEU 381 Cb -0.16 1.72 -0.07 0.00 -0.56 0.00 0.00 46.19 47.12 1ajr s LEU 381 CO 0.10 -1.03 1.00 -0.76 -1.06 0.00 0.00 176.35 174.60 1ajr s LEU 382 N -2.95 3.64 0.52 1.48 1.02 -1.21 -4.93 118.68 116.26 1ajr s LEU 382 Ca 0.15 1.66 0.31 0.00 0.02 0.00 0.00 54.13 56.27 1ajr s LEU 382 Cb 0.00 -4.52 1.67 0.00 0.02 0.00 0.00 46.19 43.36 1ajr s LEU 382 CO 0.01 -0.70 1.93 -0.65 0.02 0.00 0.00 176.35 176.96 1ajr h PRO 383 N 0.95 0.00 0.00 1.29 0.11 -1.96 0.17 132.00 132.57 1ajr h PRO 383 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ajr h PRO 383 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ajr h PRO 383 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 1ajr n SER 384 N -2.66 0.16 0.00 -2.05 3.41 -1.26 -4.06 113.62 107.16 1ajr n SER 384 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ajr n SER 384 Cb 0.16 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1ajr n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajr n GLY 385 N 1.33 0.75 3.71 5.00 0.00 0.60 -4.75 105.19 111.83 1ajr n GLY 385 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.43 4.44 0.13 1.61 3.52 -1.25 -2.09 118.95 124.88 1ajr s ARG 386 Ca 0.00 1.74 0.08 0.00 -0.13 0.00 0.00 55.73 57.42 1ajr s ARG 386 Cb 0.00 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1ajr s ARG 386 CO 0.00 -0.24 -0.18 0.96 -0.81 0.00 0.00 175.30 175.03 1ajr s ILE 387 N 1.04 1.67 -0.31 4.11 -4.36 -0.36 -3.31 121.20 119.69 1ajr s ILE 387 Ca 0.58 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.13 1ajr s ILE 387 Cb -0.29 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 1ajr s ILE 387 CO 0.29 -0.25 0.17 0.21 0.24 0.00 0.00 174.94 175.60 1ajr s ASN 388 N -2.35 5.67 0.58 4.36 3.84 -0.50 -0.61 114.94 125.93 1ajr s ASN 388 Ca 0.11 -0.45 0.28 0.00 0.21 0.00 0.00 52.86 53.00 1ajr s ASN 388 Cb -0.07 -2.04 1.63 0.00 -0.55 0.00 0.00 41.25 40.22 1ajr s ASN 388 CO 0.05 -0.19 2.11 0.24 -2.79 0.00 0.00 177.10 176.52 1ajr h MET 389 N 8.38 0.00 0.00 0.43 2.86 -0.38 -0.52 114.93 125.69 1ajr h MET 389 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1ajr h MET 389 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1ajr h MET 389 CO 0.61 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.58 1ajr n GLY 391 N 0.42 -1.57 3.83 0.00 0.00 -0.20 -4.55 105.19 103.12 1ajr n GLY 391 Ca 0.05 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.06 4.35 0.15 0.99 1.43 -0.91 -4.69 118.68 115.93 1ajr s LEU 392 Ca 0.11 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1ajr s LEU 392 Cb 0.14 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1ajr s LEU 392 CO 0.54 0.08 0.15 0.42 0.23 0.00 0.00 176.35 177.77 1ajr s THR 393 N -1.47 0.08 0.53 5.49 -4.23 -1.26 -4.88 115.64 109.90 1ajr s THR 393 Ca 0.40 -1.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.37 1ajr s THR 393 Cb -0.16 -2.01 0.31 0.00 1.34 0.00 0.00 72.50 71.98 1ajr s THR 393 CO 0.20 -0.37 2.12 0.71 -0.54 0.00 0.00 174.62 176.74 1ajr h THR 394 N 2.73 0.88 0.00 3.99 1.35 -1.99 -1.88 112.91 117.99 1ajr h THR 394 Ca -0.34 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.39 1ajr h THR 394 Cb 1.21 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1ajr h THR 394 CO 0.54 0.00 -0.87 0.11 -0.25 0.00 0.00 175.52 175.05 1ajr h LYS 395 N 0.00 0.00 -0.01 4.72 1.57 -1.96 -3.37 116.57 117.52 1ajr h LYS 395 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ajr h LYS 395 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ajr h LYS 395 CO -0.00 0.43 -0.12 0.27 -0.57 0.00 0.00 179.45 179.46 1ajr n ASN 396 N -3.09 1.41 -0.30 0.86 0.23 -0.93 -4.70 115.26 108.74 1ajr n ASN 396 Ca -0.02 -1.20 0.04 0.00 -0.53 0.00 0.00 54.58 52.86 1ajr n ASN 396 Cb 0.78 0.29 0.18 0.00 -2.08 0.00 0.00 39.78 38.95 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 1.37 0.66 -0.18 -4.53 5.85 -1.53 -1.40 115.31 115.56 1ajr h LEU 397 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ajr h LEU 397 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ajr h LEU 397 CO 0.00 0.36 0.06 0.44 -0.34 0.00 0.00 178.44 178.96 1ajr h ASP 398 N 0.77 0.25 -0.44 1.25 5.19 -1.84 -0.80 116.42 120.80 1ajr h ASP 398 Ca 0.41 -0.19 0.06 0.00 -0.62 0.00 0.00 57.03 56.69 1ajr h ASP 398 Cb 0.42 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 1ajr h ASP 398 CO -0.27 0.37 0.16 0.22 -3.12 0.00 0.00 179.24 176.61 1ajr h TYR 399 N 0.12 0.28 -0.14 4.55 3.20 -1.75 -0.31 116.97 122.92 1ajr h TYR 399 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1ajr h TYR 399 Cb 0.21 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1ajr h TYR 399 CO -0.00 0.10 0.02 0.28 -1.64 0.00 0.00 178.16 176.92 1ajr h VAL 400 N 0.33 1.22 -0.38 1.81 2.07 -1.12 -1.27 116.25 118.90 1ajr h VAL 400 Ca 0.21 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ajr h VAL 400 Cb 0.20 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1ajr h VAL 400 CO -0.21 0.21 0.23 0.00 0.02 0.00 0.00 177.57 177.81 1ajr h ALA 401 N 0.80 0.48 -0.67 1.67 0.00 -0.95 0.11 119.26 120.71 1ajr h ALA 401 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ajr h ALA 401 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ajr h ALA 401 CO 0.00 -0.11 0.27 1.15 0.00 0.00 0.00 179.25 180.57 1ajr h THR 402 N 0.46 1.24 -0.39 0.00 2.02 -1.05 -0.42 112.91 114.78 1ajr h THR 402 Ca 0.15 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1ajr h THR 402 Cb -0.00 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1ajr h THR 402 CO -0.07 0.30 -0.16 0.28 0.37 0.00 0.00 175.52 176.24 1ajr h SER 403 N 0.96 0.72 -0.27 4.18 0.02 -0.83 -1.62 113.55 116.71 1ajr h SER 403 Ca 0.23 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1ajr h SER 403 Cb 0.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ajr h SER 403 CO -0.02 0.89 -0.12 0.40 -1.14 0.00 0.00 176.83 176.84 1ajr h ILE 404 N 0.65 1.30 -0.82 3.27 2.04 -0.46 -1.66 117.51 121.83 1ajr h ILE 404 Ca 0.10 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 64.90 1ajr h ILE 404 Cb 0.64 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.14 1ajr h ILE 404 CO 0.04 0.38 0.40 -0.74 0.00 0.00 0.00 178.15 178.23 1ajr h HIS 405 N 0.29 0.70 -0.42 1.37 2.76 -0.86 -0.80 115.15 118.18 1ajr h HIS 405 Ca 0.06 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1ajr h HIS 405 Cb 0.63 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1ajr h HIS 405 CO 0.06 0.16 0.07 0.93 -1.30 0.00 0.00 177.93 177.85 1ajr h GLU 406 N 0.58 0.69 -0.52 5.26 5.08 -1.06 -1.97 114.58 122.64 1ajr h GLU 406 Ca 0.44 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1ajr h GLU 406 Cb 0.63 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1ajr h GLU 406 CO -0.36 0.73 0.33 0.00 -1.00 0.00 0.00 179.01 178.71 1ajr h ALA 407 N 0.94 0.67 -0.39 3.43 0.00 -0.44 0.31 119.26 123.77 1ajr h ALA 407 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1ajr h ALA 407 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ajr h ALA 407 CO 0.01 0.07 -0.36 0.28 0.00 0.00 0.00 179.25 179.24 1ajr h VAL 408 N 0.67 1.27 0.08 0.00 2.07 -1.14 0.68 116.25 119.88 1ajr h VAL 408 Ca 0.20 -1.53 -0.30 0.00 0.82 0.00 0.00 66.70 65.89 1ajr h VAL 408 Cb -0.03 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ajr h VAL 408 CO -0.07 0.51 -1.56 0.71 0.02 0.00 0.00 177.57 177.19 1ajr h THR 409 N 0.75 1.10 0.00 2.57 1.35 -1.24 -3.39 112.91 114.05 1ajr h THR 409 Ca 0.06 -2.80 -0.32 0.00 -0.55 0.00 0.00 66.41 62.81 1ajr h THR 409 Cb 0.96 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.99 1ajr h THR 409 CO 0.09 0.77 -1.92 0.29 -0.25 0.00 0.00 175.52 174.51 1ajr n LYS 410 N -3.36 0.65 -4.08 4.72 5.02 0.11 -4.94 118.16 116.29 1ajr n LYS 410 Ca -0.16 0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1ajr n LYS 410 Cb 1.03 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 1ajr n LYS 410 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ajr s ILE 411 N -2.57 4.80 -1.22 -0.18 -1.09 0.23 -5.04 121.20 116.13 1ajr s ILE 411 Ca -0.07 -0.40 0.10 0.00 -2.23 0.00 0.00 60.65 58.05 1ajr s ILE 411 Cb 0.07 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 1ajr s ILE 411 CO 0.82 0.34 0.81 1.67 -1.23 0.00 0.00 174.94 177.35