#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajr s VAL 2 N 0.00 0.02 -0.20 1.59 1.01 -1.20 -4.86 120.40 116.75 2ajr s VAL 2 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2ajr s VAL 2 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2ajr s VAL 2 CO 0.00 -0.07 -0.00 -0.22 0.00 0.00 0.00 175.10 174.80 2ajr s LEU 3 N -0.36 3.21 -0.12 3.92 2.96 -0.84 -0.48 118.68 126.96 2ajr s LEU 3 Ca -0.05 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2ajr s LEU 3 Cb -0.03 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2ajr s LEU 3 CO 0.03 0.05 -0.05 0.42 -1.32 0.00 0.00 176.35 175.48 2ajr s THR 4 N 1.08 3.85 -0.18 3.68 -4.23 0.20 -0.41 115.64 119.64 2ajr s THR 4 Ca 0.02 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2ajr s THR 4 Cb -0.14 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2ajr s THR 4 CO 0.01 0.54 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.86 2ajr s VAL 5 N -0.11 3.25 -0.41 2.29 1.01 0.26 -0.21 120.40 126.48 2ajr s VAL 5 Ca 0.02 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2ajr s VAL 5 Cb -0.13 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.96 2ajr s VAL 5 CO 0.03 0.48 0.22 -0.89 0.00 0.00 0.00 175.10 174.93 2ajr s THR 6 N 0.90 1.01 0.32 3.92 2.01 0.23 -3.13 115.64 120.90 2ajr s THR 6 Ca -0.02 -2.25 0.27 0.00 0.31 0.00 0.00 61.69 60.01 2ajr s THR 6 Cb -0.15 -1.72 0.29 0.00 0.01 0.00 0.00 72.50 70.93 2ajr s THR 6 CO 0.00 -0.91 2.00 -0.07 -0.69 0.00 0.00 174.62 174.96 2ajr h LEU 7 N 6.89 0.00 -6.11 4.42 3.38 -1.81 -3.30 115.31 118.78 2ajr h LEU 7 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2ajr h LEU 7 Cb 0.94 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.29 2ajr h LEU 7 CO 0.42 0.14 -0.81 -3.20 0.09 0.00 0.00 178.44 175.08 2ajr n ASN 8 N -3.51 2.22 -4.65 -0.43 5.15 -1.20 -3.90 115.26 108.94 2ajr n ASN 8 Ca -0.01 -3.12 -0.30 0.00 -0.60 0.00 0.00 54.58 50.55 2ajr n ASN 8 Cb 0.30 -0.66 0.17 0.00 -0.53 0.00 0.00 39.78 39.06 2ajr n ASN 8 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2ajr s PRO 9 N -1.92 0.72 0.01 1.20 0.02 -1.25 -4.75 135.00 129.04 2ajr s PRO 9 Ca 0.38 1.07 -0.08 0.00 0.02 0.00 0.00 61.00 62.39 2ajr s PRO 9 Cb 0.16 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.95 2ajr s PRO 9 CO -0.05 -2.68 0.16 0.00 -0.33 0.00 0.00 177.00 174.09 2ajr s ALA 10 N -2.73 -0.34 -0.20 -1.55 0.00 -0.88 -4.00 121.76 112.06 2ajr s ALA 10 Ca 0.65 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 2ajr s ALA 10 Cb -0.21 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2ajr s ALA 10 CO 0.59 -0.26 0.70 -0.51 0.00 0.00 0.00 175.76 176.29 2ajr s LEU 11 N -1.61 4.14 -0.27 0.00 1.43 -0.60 0.86 118.68 122.63 2ajr s LEU 11 Ca -0.12 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.75 2ajr s LEU 11 Cb -0.05 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2ajr s LEU 11 CO 0.00 -0.34 0.48 -1.81 0.23 0.00 0.00 176.35 174.91 2ajr s ASP 12 N 1.23 6.37 -0.46 2.29 1.01 0.07 -0.92 116.67 126.25 2ajr s ASP 12 Ca 0.32 0.40 -0.14 0.00 0.71 0.00 0.00 52.55 53.83 2ajr s ASP 12 Cb -0.16 -2.26 0.08 0.00 1.01 0.00 0.00 42.92 41.59 2ajr s ASP 12 CO 0.10 -0.28 0.37 -0.60 0.21 0.00 0.00 175.17 174.97 2ajr s ARG 13 N 2.26 2.90 -0.05 8.23 3.52 0.02 -1.92 118.95 133.91 2ajr s ARG 13 Ca 0.19 -1.38 -0.17 0.00 -0.13 0.00 0.00 55.73 54.24 2ajr s ARG 13 Cb -0.16 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 2ajr s ARG 13 CO 0.10 -1.02 0.45 -1.21 -0.81 0.00 0.00 175.30 172.81 2ajr s GLU 14 N 1.60 4.16 -0.05 5.12 2.02 0.16 -1.41 118.70 130.30 2ajr s GLU 14 Ca 0.04 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.49 2ajr s GLU 14 Cb -0.24 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.67 2ajr s GLU 14 CO 0.06 0.42 -0.07 0.42 0.02 0.00 0.00 175.26 176.10 2ajr s ILE 15 N -0.22 0.72 -0.32 -1.63 1.01 -0.17 -1.03 121.20 119.56 2ajr s ILE 15 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2ajr s ILE 15 Cb -0.16 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.67 2ajr s ILE 15 CO 0.12 0.26 0.04 -0.36 0.00 0.00 0.00 174.94 175.00 2ajr s PHE 16 N 0.72 3.29 -0.13 3.97 0.08 0.46 -0.71 117.98 125.66 2ajr s PHE 16 Ca -0.11 -1.79 -0.01 0.00 0.12 0.00 0.00 56.93 55.14 2ajr s PHE 16 Cb -0.14 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2ajr s PHE 16 CO 0.01 -0.80 -0.05 0.42 -0.10 0.00 0.00 175.22 174.71 2ajr s ILE 17 N 1.29 0.91 0.16 0.64 1.01 -0.91 -4.86 121.20 119.44 2ajr s ILE 17 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 2ajr s ILE 17 Cb -0.20 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 2ajr s ILE 17 CO -0.00 0.23 1.01 -1.61 0.00 0.00 0.00 174.94 174.57 2ajr s GLU 18 N 1.74 4.69 -1.22 2.79 2.02 -1.26 -3.67 118.70 123.79 2ajr s GLU 18 Ca 0.03 1.55 -0.01 0.00 0.02 0.00 0.00 54.97 56.57 2ajr s GLU 18 Cb -0.14 -3.32 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2ajr s GLU 18 CO -0.08 0.22 0.91 -0.25 0.02 0.00 0.00 175.26 176.09 2ajr n ASP 19 N 2.40 -2.17 -4.67 -0.19 8.00 -1.26 -4.94 116.55 113.71 2ajr n ASP 19 Ca 0.02 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 2ajr n ASP 19 Cb 0.48 -4.84 -0.03 0.00 -0.02 0.00 0.00 41.12 36.71 2ajr n ASP 19 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2ajr s PHE 20 N -3.44 2.56 0.13 1.24 5.36 -1.24 -5.00 117.98 117.58 2ajr s PHE 20 Ca 0.04 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 2ajr s PHE 20 Cb -0.01 -3.70 -0.04 0.00 -0.34 0.00 0.00 43.02 38.93 2ajr s PHE 20 CO 0.75 -2.69 -0.06 -0.65 -1.46 0.00 0.00 175.22 171.12 2ajr s GLN 21 N 3.28 0.95 0.51 10.12 -1.52 -1.26 -5.09 119.66 126.65 2ajr s GLN 21 Ca 0.64 -1.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.47 2ajr s GLN 21 Cb -0.29 -0.31 -0.08 0.00 -0.22 0.00 0.00 33.01 32.10 2ajr s GLN 21 CO 0.24 -0.03 0.99 0.08 -0.25 0.00 0.00 175.29 176.32 2ajr s VAL 22 N -3.57 4.41 -0.91 1.09 1.01 -1.26 -4.12 120.40 117.06 2ajr s VAL 22 Ca 0.16 1.23 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 2ajr s VAL 22 Cb 0.05 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2ajr s VAL 22 CO -0.01 -0.59 0.64 -3.20 0.00 0.00 0.00 175.10 171.94 2ajr n ASN 23 N -1.43 -4.71 -4.03 3.32 5.15 -1.26 -5.04 115.26 107.26 2ajr n ASN 23 Ca 0.07 -0.29 -0.08 0.00 -0.60 0.00 0.00 54.58 53.67 2ajr n ASN 23 Cb 0.54 -3.38 -0.10 0.00 -0.53 0.00 0.00 39.78 36.30 2ajr n ASN 23 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2ajr s ARG 24 N -5.67 0.46 -0.14 1.20 0.52 -1.26 -5.15 118.95 108.92 2ajr s ARG 24 Ca 0.32 -0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 2ajr s ARG 24 Cb -0.14 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 2ajr s ARG 24 CO 0.40 -0.08 0.45 -1.17 0.02 0.00 0.00 175.30 174.91 2ajr s LEU 25 N -2.17 4.24 -0.15 2.53 2.96 -1.26 -5.06 118.68 119.76 2ajr s LEU 25 Ca -0.05 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2ajr s LEU 25 Cb -0.01 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 2ajr s LEU 25 CO -0.05 -0.02 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.51 2ajr s TYR 26 N 0.83 2.80 -0.44 5.38 2.02 -1.26 -5.09 117.35 121.59 2ajr s TYR 26 Ca 0.24 -0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 55.91 2ajr s TYR 26 Cb -0.15 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.57 2ajr s TYR 26 CO 0.09 -0.37 0.36 1.03 -1.57 0.00 0.00 175.55 175.08 2ajr s ARG 27 N 0.68 2.98 -0.76 -0.62 0.52 -1.26 -5.04 118.95 115.45 2ajr s ARG 27 Ca -0.07 -1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 53.72 2ajr s ARG 27 Cb -0.15 -4.06 0.04 0.00 0.52 0.00 0.00 34.95 31.30 2ajr s ARG 27 CO 0.02 -0.90 1.23 0.42 0.02 0.00 0.00 175.30 176.09 2ajr s ILE 28 N 1.70 3.89 -0.14 1.52 -1.09 -1.26 -4.84 121.20 120.98 2ajr s ILE 28 Ca 0.05 0.07 -0.27 0.00 -2.23 0.00 0.00 60.65 58.27 2ajr s ILE 28 Cb -0.22 -4.88 -0.26 0.00 -1.58 0.00 0.00 42.46 35.52 2ajr s ILE 28 CO 0.09 -1.78 0.73 0.78 -1.23 0.00 0.00 174.94 173.53 2ajr h ASN 29 N 9.88 0.05 -2.37 3.58 4.21 -2.00 -3.45 115.58 125.48 2ajr h ASN 29 Ca -0.22 -0.95 -0.55 0.00 1.21 0.00 0.00 56.30 55.80 2ajr h ASN 29 Cb 1.05 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2ajr h ASN 29 CO 1.27 1.09 1.25 -0.62 -1.29 0.00 0.00 177.43 179.14 2ajr s ASP 30 N -6.37 6.30 0.28 5.81 -1.08 -1.26 -4.88 116.67 115.47 2ajr s ASP 30 Ca -0.19 2.38 0.25 0.00 -0.52 0.00 0.00 52.55 54.46 2ajr s ASP 30 Cb -0.02 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.91 2ajr s ASP 30 CO 0.70 -1.22 1.74 0.25 0.52 0.00 0.00 175.17 177.16 2ajr h LEU 31 N 11.46 0.00 -0.24 -1.34 7.12 -1.95 -2.62 115.31 127.75 2ajr h LEU 31 Ca -0.45 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2ajr h LEU 31 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2ajr h LEU 31 CO 0.95 0.00 0.00 -1.54 -0.13 0.00 0.00 178.44 177.72 2ajr n SER 32 N -2.33 0.37 -1.45 1.25 3.41 -1.26 -3.41 113.62 110.21 2ajr n SER 32 Ca 0.02 -1.14 0.10 0.00 -0.26 0.00 0.00 58.87 57.60 2ajr n SER 32 Cb 0.26 -0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.55 2ajr n SER 32 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ajr n LYS 33 N -0.70 3.37 -4.08 4.33 5.02 -0.99 -4.89 118.16 120.22 2ajr n LYS 33 Ca 0.22 -2.78 -0.11 0.00 -2.02 0.00 0.00 58.31 53.62 2ajr n LYS 33 Cb 0.17 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 2ajr n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2ajr s THR 34 N -1.56 0.51 0.22 -0.18 -1.32 -1.22 -0.40 115.64 111.68 2ajr s THR 34 Ca 0.49 -1.33 -0.02 0.00 -1.21 0.00 0.00 61.69 59.62 2ajr s THR 34 Cb 0.30 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 2ajr s THR 34 CO 0.27 -0.57 0.32 1.67 -2.21 0.00 0.00 174.62 174.10 2ajr n GLN 35 N 0.99 0.46 0.00 7.08 -0.06 -0.19 -5.00 117.38 120.66 2ajr n GLN 35 Ca -0.20 -1.73 0.00 0.00 -2.00 0.00 0.00 57.00 53.07 2ajr n GLN 35 Cb 0.57 1.69 0.00 0.00 -4.06 0.00 0.00 30.24 28.44 2ajr n GLN 35 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2ajr n SER 37 N -1.79 0.00 -4.77 1.69 3.41 -0.81 -0.67 113.62 110.69 2ajr n SER 37 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2ajr n SER 37 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2ajr n SER 37 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ajr n PRO 38 N -1.44 2.55 -0.95 4.33 -0.02 -1.26 -0.75 135.00 137.46 2ajr n PRO 38 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2ajr n PRO 38 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 2ajr n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajr n GLY 39 N 0.50 3.69 0.00 -1.23 0.00 0.25 -4.78 105.19 103.61 2ajr n GLY 39 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2ajr n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ajr n GLY 40 N 0.00 2.03 0.21 -0.02 0.00 -1.26 -2.07 105.19 104.08 2ajr n GLY 40 Ca 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 2ajr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ajr h LYS 41 N 0.00 0.61 -0.13 1.61 1.57 -1.89 -0.86 116.57 117.48 2ajr h LYS 41 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2ajr h LYS 41 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2ajr h LYS 41 CO 0.00 0.40 -0.53 0.78 -0.57 0.00 0.00 179.45 179.53 2ajr h GLY 42 N 0.63 0.41 1.06 3.86 0.00 -1.77 -1.64 103.07 105.62 2ajr h GLY 42 Ca 0.20 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2ajr h GLY 42 CO -0.08 0.41 0.05 -2.22 0.00 0.00 0.00 176.54 174.70 2ajr h ILE 43 N 0.29 1.26 -0.31 2.60 2.04 -1.72 -1.04 117.51 120.63 2ajr h ILE 43 Ca 0.01 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 2ajr h ILE 43 Cb 1.03 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2ajr h ILE 43 CO 0.09 0.40 -0.15 0.78 0.00 0.00 0.00 178.15 179.26 2ajr h ASN 44 N 0.96 0.54 -0.60 1.72 2.35 -0.92 -0.83 115.58 118.80 2ajr h ASN 44 Ca 0.18 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2ajr h ASN 44 Cb 0.50 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2ajr h ASN 44 CO 0.02 0.72 0.18 0.58 -1.65 0.00 0.00 177.43 177.28 2ajr h VAL 45 N 0.50 1.24 -0.49 2.81 2.07 -0.97 0.30 116.25 121.71 2ajr h VAL 45 Ca 0.09 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2ajr h VAL 45 Cb 0.56 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2ajr h VAL 45 CO 0.04 0.32 0.30 0.28 0.02 0.00 0.00 177.57 178.52 2ajr h SER 46 N 0.85 0.50 0.18 0.57 0.02 -0.76 0.20 113.55 115.11 2ajr h SER 46 Ca 0.19 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2ajr h SER 46 Cb 0.30 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2ajr h SER 46 CO -0.01 0.36 -0.08 0.40 -1.14 0.00 0.00 176.83 176.36 2ajr h ILE 47 N 0.61 0.86 -0.39 3.27 2.04 -0.78 -1.21 117.51 121.91 2ajr h ILE 47 Ca 0.19 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 66.01 2ajr h ILE 47 Cb -0.01 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 2ajr h ILE 47 CO -0.08 0.03 -0.24 0.00 0.00 0.00 0.00 178.15 177.87 2ajr h ALA 48 N 0.52 0.00 -0.77 1.87 0.00 -0.21 -1.87 119.26 118.79 2ajr h ALA 48 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ajr h ALA 48 Cb 0.23 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2ajr h ALA 48 CO 0.04 -0.62 0.51 -0.07 0.00 0.00 0.00 179.25 179.12 2ajr h LEU 49 N -0.17 0.87 -0.82 0.00 3.38 -0.46 -2.63 115.31 115.47 2ajr h LEU 49 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2ajr h LEU 49 Cb 0.47 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2ajr h LEU 49 CO -0.49 0.62 0.53 0.77 0.09 0.00 0.00 178.44 179.96 2ajr h SER 50 N 1.03 0.96 0.04 -0.43 4.64 -0.42 -0.46 113.55 118.91 2ajr h SER 50 Ca 0.29 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2ajr h SER 50 Cb -0.08 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2ajr h SER 50 CO -0.07 0.71 -0.01 0.11 -0.87 0.00 0.00 176.83 176.70 2ajr h LYS 51 N 1.12 0.00 -0.67 4.77 1.79 -1.07 -0.90 116.57 121.62 2ajr h LYS 51 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2ajr h LYS 51 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2ajr h LYS 51 CO -0.06 0.01 0.00 1.28 -1.08 0.00 0.00 179.45 179.60 2ajr n LEU 52 N -3.80 4.48 -0.01 2.94 4.77 -0.52 -4.67 117.00 120.21 2ajr n LEU 52 Ca -0.03 -2.31 -0.00 0.00 -0.03 0.00 0.00 56.01 53.65 2ajr n LEU 52 Cb 0.10 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2ajr n LEU 52 CO 0.27 0.87 -0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2ajr n GLY 53 N 1.27 0.41 3.65 -0.72 0.00 -0.34 -5.02 105.19 104.43 2ajr n GLY 53 Ca 0.25 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2ajr n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 54 N -1.81 5.29 0.59 1.61 1.01 -0.30 -4.98 120.40 121.81 2ajr s VAL 54 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 2ajr s VAL 54 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2ajr s VAL 54 CO 0.00 0.29 1.03 -2.16 0.00 0.00 0.00 175.10 174.26 2ajr s PRO 55 N 1.34 3.50 0.06 2.72 0.04 -1.26 -3.25 135.00 138.14 2ajr s PRO 55 Ca 0.11 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 2ajr s PRO 55 Cb -0.14 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2ajr s PRO 55 CO 0.07 -0.65 0.18 -1.54 0.04 0.00 0.00 177.00 175.10 2ajr s SER 56 N -3.28 0.09 -0.21 6.66 1.04 -0.62 -3.21 113.70 114.17 2ajr s SER 56 Ca 0.60 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 2ajr s SER 56 Cb -0.13 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2ajr s SER 56 CO 0.41 -0.61 0.16 -0.69 0.98 0.00 0.00 173.24 173.49 2ajr s VAL 57 N -3.04 5.38 -0.23 5.02 1.01 0.36 -1.14 120.40 127.75 2ajr s VAL 57 Ca -0.01 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 2ajr s VAL 57 Cb 0.01 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2ajr s VAL 57 CO -0.07 0.40 0.10 0.00 0.00 0.00 0.00 175.10 175.54 2ajr s ALA 58 N 0.62 3.38 0.36 5.51 0.00 0.11 -0.63 121.76 131.11 2ajr s ALA 58 Ca 0.09 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2ajr s ALA 58 Cb -0.12 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 2ajr s ALA 58 CO 0.01 -0.25 0.06 -0.08 0.00 0.00 0.00 175.76 175.50 2ajr s THR 59 N 1.17 1.21 -5.00 0.00 -1.32 0.71 -0.66 115.64 111.75 2ajr s THR 59 Ca 0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 2ajr s THR 59 Cb -0.14 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 2ajr s THR 59 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 2ajr n GLY 60 N -0.80 0.46 3.36 6.08 0.00 -1.26 -0.60 105.19 112.43 2ajr n GLY 60 Ca -0.04 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2ajr n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ajr s PHE 61 N -3.20 2.55 0.12 1.61 0.08 -1.24 -1.23 117.98 116.66 2ajr s PHE 61 Ca 0.00 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.64 2ajr s PHE 61 Cb 0.00 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2ajr s PHE 61 CO 0.00 -0.03 -0.10 0.14 -0.10 0.00 0.00 175.22 175.13 2ajr s VAL 62 N -0.41 1.02 0.16 -0.44 -7.23 -0.89 -4.36 120.40 108.24 2ajr s VAL 62 Ca 0.04 -1.88 -0.23 0.00 -1.81 0.00 0.00 61.98 58.10 2ajr s VAL 62 Cb -0.12 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.25 2ajr s VAL 62 CO 0.02 -0.69 0.65 -0.83 -0.31 0.00 0.00 175.10 173.94 2ajr s GLY 63 N -2.87 -0.52 0.00 2.32 0.00 -1.26 -0.59 107.32 104.41 2ajr s GLY 63 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.24 2ajr s GLY 63 CO -0.00 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.84 2ajr n GLY 64 N -0.38 0.92 0.61 0.20 0.00 -0.84 -0.38 105.19 105.33 2ajr n GLY 64 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2ajr n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ajr n TYR 65 N 0.00 0.00 0.00 1.61 4.01 -1.26 -2.14 117.16 119.38 2ajr n TYR 65 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2ajr n TYR 65 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2ajr n TYR 65 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ajr n GLY 67 N 0.58 0.00 0.18 2.72 0.00 0.49 -2.30 105.19 106.86 2ajr n GLY 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ajr n GLY 67 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ajr h LYS 68 N 0.00 0.55 -0.37 1.61 3.64 -1.65 -1.78 116.57 118.55 2ajr h LYS 68 Ca 0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2ajr h LYS 68 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2ajr h LYS 68 CO 0.00 0.46 0.20 0.82 -2.27 0.00 0.00 179.45 178.66 2ajr h ILE 69 N 0.49 1.01 -0.23 2.00 2.04 -1.76 -2.22 117.51 118.85 2ajr h ILE 69 Ca 0.14 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2ajr h ILE 69 Cb 0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2ajr h ILE 69 CO -0.02 0.08 0.03 0.25 0.00 0.00 0.00 178.15 178.48 2ajr h LEU 70 N 0.41 -0.03 -0.54 1.44 6.46 -1.70 0.00 115.31 121.35 2ajr h LEU 70 Ca 0.15 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2ajr h LEU 70 Cb 0.03 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2ajr h LEU 70 CO -0.09 0.02 -0.05 0.58 -0.62 0.00 0.00 178.44 178.28 2ajr h VAL 71 N 0.11 1.27 -0.12 1.05 2.07 -1.22 0.29 116.25 119.69 2ajr h VAL 71 Ca 0.11 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 2ajr h VAL 71 Cb 0.12 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2ajr h VAL 71 CO -0.16 0.42 -0.25 -0.33 0.02 0.00 0.00 177.57 177.28 2ajr h GLU 72 N 0.86 0.38 -0.87 1.57 5.08 -1.14 -1.20 114.58 119.27 2ajr h GLU 72 Ca 0.15 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2ajr h GLU 72 Cb 0.60 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2ajr h GLU 72 CO 0.04 0.85 0.56 0.93 -1.00 0.00 0.00 179.01 180.39 2ajr h GLU 73 N -0.04 1.06 -0.69 2.33 4.39 -0.91 -2.15 114.58 118.58 2ajr h GLU 73 Ca 0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2ajr h GLU 73 Cb 0.84 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2ajr h GLU 73 CO 0.05 0.70 0.22 1.25 -1.16 0.00 0.00 179.01 180.07 2ajr h LEU 74 N 1.09 1.00 -1.14 1.33 5.85 -0.69 -2.18 115.31 120.57 2ajr h LEU 74 Ca 0.35 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2ajr h LEU 74 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2ajr h LEU 74 CO -0.12 0.94 -0.41 0.03 -0.34 0.00 0.00 178.44 178.55 2ajr h ARG 75 N 1.01 0.05 0.00 1.25 3.08 -0.82 -2.31 114.38 116.63 2ajr h ARG 75 Ca 0.22 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2ajr h ARG 75 Cb 0.30 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2ajr h ARG 75 CO -0.01 0.45 -0.15 0.87 -1.07 0.00 0.00 179.97 180.06 2ajr h LYS 76 N 0.04 0.00 -0.51 0.04 1.57 -0.76 -3.25 116.57 113.70 2ajr h LYS 76 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2ajr h LYS 76 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2ajr h LYS 76 CO 0.05 0.15 -0.15 0.82 -0.57 0.00 0.00 179.45 179.76 2ajr h ILE 77 N 0.00 1.27 -1.66 1.86 2.04 -1.14 -3.46 117.51 116.41 2ajr h ILE 77 Ca -0.00 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.60 2ajr h ILE 77 Cb 0.64 1.03 -0.25 0.00 -0.74 0.00 0.00 36.82 37.50 2ajr h ILE 77 CO 0.02 0.46 0.39 -0.55 0.00 0.00 0.00 178.15 178.46 2ajr s SER 78 N -6.69 -0.52 0.61 1.72 0.15 -1.23 -4.99 113.70 102.76 2ajr s SER 78 Ca -0.11 0.97 0.40 0.00 0.70 0.00 0.00 55.95 57.90 2ajr s SER 78 Cb 0.13 1.01 2.16 0.00 -1.71 0.00 0.00 66.02 67.61 2ajr s SER 78 CO 0.86 -0.17 2.21 0.07 1.20 0.00 0.00 173.24 177.42 2ajr h LYS 79 N 4.59 0.00 0.00 5.44 -0.00 -1.90 -2.81 116.57 121.89 2ajr h LYS 79 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2ajr h LYS 79 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2ajr h LYS 79 CO 0.11 0.00 0.00 -0.07 -0.00 0.00 0.00 179.45 179.49 2ajr h LEU 80 N 0.00 0.00 -9.06 7.07 3.38 -1.94 -3.42 115.31 111.34 2ajr h LEU 80 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2ajr h LEU 80 Cb 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.66 2ajr h LEU 80 CO 0.00 0.00 -0.46 -0.63 0.09 0.00 0.00 178.44 177.44 2ajr s ILE 81 N -3.39 5.33 -0.14 1.22 1.01 -1.06 -1.59 121.20 122.58 2ajr s ILE 81 Ca 0.05 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 2ajr s ILE 81 Cb 0.09 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2ajr s ILE 81 CO 0.54 0.32 0.05 -0.89 0.00 0.00 0.00 174.94 174.96 2ajr s THR 82 N 1.22 4.72 0.04 2.92 2.01 -0.29 -4.93 115.64 121.33 2ajr s THR 82 Ca 0.09 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 2ajr s THR 82 Cb -0.14 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2ajr s THR 82 CO 0.06 0.54 0.27 0.42 -0.69 0.00 0.00 174.62 175.22 2ajr s THR 83 N -0.31 5.30 -0.43 -0.82 -4.23 -1.26 0.09 115.64 113.98 2ajr s THR 83 Ca 0.08 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2ajr s THR 83 Cb -0.12 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.42 2ajr s THR 83 CO 0.02 0.25 0.82 -3.20 -0.54 0.00 0.00 174.62 171.97 2ajr n ASN 84 N 0.74 -1.28 -4.88 3.99 5.15 0.16 -4.88 115.26 114.26 2ajr n ASN 84 Ca -0.08 -3.20 -0.36 0.00 -0.60 0.00 0.00 54.58 50.34 2ajr n ASN 84 Cb 0.52 0.77 -0.06 0.00 -0.53 0.00 0.00 39.78 40.49 2ajr n ASN 84 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2ajr s PHE 85 N -0.48 3.60 -0.11 1.20 0.08 -1.26 -4.24 117.98 116.77 2ajr s PHE 85 Ca 0.32 0.57 -0.28 0.00 0.12 0.00 0.00 56.93 57.66 2ajr s PHE 85 Cb 0.25 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2ajr s PHE 85 CO -0.13 0.69 0.93 0.08 -0.10 0.00 0.00 175.22 176.69 2ajr s VAL 86 N -1.12 4.84 -0.12 -0.44 1.01 -0.37 -4.89 120.40 119.32 2ajr s VAL 86 Ca 0.20 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.80 2ajr s VAL 86 Cb -0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2ajr s VAL 86 CO 0.09 0.04 0.79 -0.31 0.00 0.00 0.00 175.10 175.71 2ajr s TYR 87 N 1.89 3.50 0.33 5.22 1.51 -1.26 -2.11 117.35 126.44 2ajr s TYR 87 Ca 0.45 1.28 0.09 0.00 -1.01 0.00 0.00 57.07 57.88 2ajr s TYR 87 Cb -0.18 -2.94 -0.06 0.00 -0.11 0.00 0.00 41.96 38.68 2ajr s TYR 87 CO 0.17 -0.09 -0.04 0.14 -1.11 0.00 0.00 175.55 174.61 2ajr s VAL 88 N 1.53 2.53 -0.01 0.71 -7.23 0.25 -4.96 120.40 113.22 2ajr s VAL 88 Ca 0.39 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 2ajr s VAL 88 Cb -0.17 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2ajr s VAL 88 CO 0.16 -0.23 0.94 -0.70 -0.31 0.00 0.00 175.10 174.96 2ajr s GLU 89 N -3.66 4.55 0.00 4.82 2.56 -1.26 -4.02 118.70 121.68 2ajr s GLU 89 Ca 0.33 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.65 2ajr s GLU 89 Cb -0.00 -3.46 0.00 0.00 2.00 0.00 0.00 34.13 32.67 2ajr s GLU 89 CO 0.18 -0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 2ajr n GLY 90 N 2.91 2.98 3.74 -1.50 0.00 -1.26 -4.75 105.19 107.32 2ajr n GLY 90 Ca 0.05 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 2ajr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ajr s GLU 91 N -2.87 4.28 0.30 1.61 0.41 -1.26 -1.98 118.70 119.19 2ajr s GLU 91 Ca 0.00 0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 54.75 2ajr s GLU 91 Cb 0.00 -3.39 -0.12 0.00 -1.78 0.00 0.00 34.13 28.84 2ajr s GLU 91 CO 0.00 0.27 1.56 2.41 -0.49 0.00 0.00 175.26 179.01 2ajr n THR 92 N 3.27 1.15 -2.20 3.63 -1.04 -0.83 -3.53 114.28 114.74 2ajr n THR 92 Ca -0.08 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.05 61.28 2ajr n THR 92 Cb 0.52 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 2ajr n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ajr s ARG 93 N -0.72 3.51 -0.24 -2.82 1.70 -1.26 -4.67 118.95 114.45 2ajr s ARG 93 Ca 0.63 1.77 -0.05 0.00 -0.47 0.00 0.00 55.73 57.61 2ajr s ARG 93 Cb -0.51 -2.23 -0.00 0.00 -0.57 0.00 0.00 34.95 31.65 2ajr s ARG 93 CO 0.51 -0.76 -0.00 -2.00 -1.08 0.00 0.00 175.30 171.97 2ajr s GLU 94 N -2.95 3.27 0.26 3.89 2.12 -1.26 -1.56 118.70 122.47 2ajr s GLU 94 Ca 0.68 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 2ajr s GLU 94 Cb -0.28 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 2ajr s GLU 94 CO 0.33 -0.28 0.51 -0.80 -0.54 0.00 0.00 175.26 174.47 2ajr s ASN 95 N 1.48 6.43 -0.10 -1.70 0.01 -0.10 -4.56 114.94 116.40 2ajr s ASN 95 Ca 0.04 0.63 0.03 0.00 -0.71 0.00 0.00 52.86 52.85 2ajr s ASN 95 Cb -0.15 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.41 2ajr s ASN 95 CO -0.01 -0.15 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.62 2ajr s ILE 96 N -2.01 1.65 -0.17 0.60 1.01 -0.60 -0.80 121.20 120.89 2ajr s ILE 96 Ca 0.42 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2ajr s ILE 96 Cb -0.11 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 40.93 2ajr s ILE 96 CO 0.29 0.47 -0.10 -1.61 0.00 0.00 0.00 174.94 174.00 2ajr s GLU 97 N 0.69 1.89 -0.26 2.79 8.01 -0.50 -0.22 118.70 131.10 2ajr s GLU 97 Ca -0.12 -0.62 -0.10 0.00 0.01 0.00 0.00 54.97 54.14 2ajr s GLU 97 Cb -0.16 -2.14 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 2ajr s GLU 97 CO 0.03 -0.36 0.15 0.42 0.01 0.00 0.00 175.26 175.51 2ajr s ILE 98 N 1.52 5.01 -0.19 -1.63 1.01 0.11 -1.00 121.20 126.01 2ajr s ILE 98 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 2ajr s ILE 98 Cb -0.15 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2ajr s ILE 98 CO -0.09 0.29 -0.15 -0.63 0.00 0.00 0.00 174.94 174.37 2ajr s ILE 99 N 1.59 2.52 -0.50 2.92 1.01 0.12 -1.34 121.20 127.51 2ajr s ILE 99 Ca 0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2ajr s ILE 99 Cb -0.15 -2.10 0.13 0.00 0.01 0.00 0.00 42.46 40.35 2ajr s ILE 99 CO 0.08 0.50 0.33 -0.62 0.00 0.00 0.00 174.94 175.23 2ajr s ASP 100 N 1.34 5.47 0.33 3.58 -1.08 0.48 -2.14 116.67 124.65 2ajr s ASP 100 Ca 0.05 -2.22 0.13 0.00 -0.52 0.00 0.00 52.55 49.99 2ajr s ASP 100 Cb -0.13 -1.91 0.55 0.00 -1.46 0.00 0.00 42.92 39.96 2ajr s ASP 100 CO -0.09 -0.55 1.71 -0.08 0.52 0.00 0.00 175.17 176.67 2ajr h GLU 101 N 7.93 0.00 0.03 4.34 4.81 -1.83 -0.68 114.58 129.18 2ajr h GLU 101 Ca -0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2ajr h GLU 101 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2ajr h GLU 101 CO 0.76 0.49 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.29 2ajr h LYS 102 N 0.00 -0.04 -0.43 1.92 3.64 -1.93 -3.25 116.57 116.48 2ajr h LYS 102 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ajr h LYS 102 Cb 0.91 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2ajr h LYS 102 CO 0.06 0.26 0.00 0.09 -2.27 0.00 0.00 179.45 177.60 2ajr n ASN 103 N -4.97 2.67 -3.67 4.20 3.02 -1.17 -4.97 115.26 110.38 2ajr n ASN 103 Ca -0.08 -1.94 -0.23 0.00 -0.03 0.00 0.00 54.58 52.30 2ajr n ASN 103 Cb 0.18 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 2ajr n ASN 103 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ajr n LYS 104 N 0.96 -1.35 -4.22 3.52 4.76 -0.36 -5.02 118.16 116.47 2ajr n LYS 104 Ca 0.17 0.81 -0.16 0.00 -2.87 0.00 0.00 58.31 56.26 2ajr n LYS 104 Cb 0.44 -3.13 -0.14 0.00 -1.84 0.00 0.00 35.03 30.36 2ajr n LYS 104 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2ajr s THR 105 N -3.08 0.53 -0.19 -0.18 -4.23 -0.63 -4.63 115.64 103.23 2ajr s THR 105 Ca 0.09 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2ajr s THR 105 Cb -0.04 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.35 2ajr s THR 105 CO 0.87 0.09 -0.18 -0.63 -0.54 0.00 0.00 174.62 174.23 2ajr s ILE 106 N -0.29 2.23 -0.26 2.99 1.01 -1.26 -0.38 121.20 125.24 2ajr s ILE 106 Ca 0.01 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2ajr s ILE 106 Cb -0.03 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2ajr s ILE 106 CO -0.00 0.52 0.09 -0.89 0.00 0.00 0.00 174.94 174.66 2ajr s THR 107 N 1.31 4.45 -0.02 2.92 2.01 -0.45 -4.98 115.64 120.89 2ajr s THR 107 Ca 0.05 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2ajr s THR 107 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2ajr s THR 107 CO -0.12 0.28 -0.22 0.00 -0.69 0.00 0.00 174.62 173.88 2ajr s ALA 108 N 1.63 1.84 -0.20 7.40 0.00 -1.26 -0.72 121.76 130.45 2ajr s ALA 108 Ca 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2ajr s ALA 108 Cb -0.16 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2ajr s ALA 108 CO 0.05 0.45 -0.10 0.42 0.00 0.00 0.00 175.76 176.58 2ajr s ILE 109 N -0.52 1.61 -0.25 0.00 1.01 0.69 -5.01 121.20 118.73 2ajr s ILE 109 Ca 0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2ajr s ILE 109 Cb -0.09 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2ajr s ILE 109 CO -0.01 0.17 -0.00 0.20 0.00 0.00 0.00 174.94 175.30 2ajr s ASN 110 N 1.41 4.60 0.45 3.58 0.01 -1.26 -1.55 114.94 122.18 2ajr s ASN 110 Ca -0.01 -0.62 -0.12 0.00 -0.71 0.00 0.00 52.86 51.40 2ajr s ASN 110 Cb -0.16 -1.77 -0.07 0.00 0.41 0.00 0.00 41.25 39.66 2ajr s ASN 110 CO -0.08 -0.10 0.85 -0.36 -1.51 0.00 0.00 177.10 175.90 2ajr s PHE 111 N 1.45 3.47 -0.05 2.20 0.40 -1.26 -5.00 117.98 119.19 2ajr s PHE 111 Ca 0.03 1.19 0.16 0.00 -0.60 0.00 0.00 56.93 57.71 2ajr s PHE 111 Cb -0.16 -2.57 0.23 0.00 0.51 0.00 0.00 43.02 41.03 2ajr s PHE 111 CO -0.02 -0.22 1.52 -1.00 0.70 0.00 0.00 175.22 176.20 2ajr h PRO 112 N 1.05 0.00 0.00 0.24 0.13 -1.98 -3.48 132.00 127.96 2ajr h PRO 112 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ajr h PRO 112 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ajr h PRO 112 CO 0.63 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2ajr n GLY 113 N 0.96 1.04 3.81 1.56 0.00 -1.26 -4.44 105.19 106.87 2ajr n GLY 113 Ca 0.01 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 2ajr n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ajr s PRO 114 N -1.84 3.55 0.06 1.61 0.04 -1.23 -4.66 135.00 132.52 2ajr s PRO 114 Ca 0.00 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 2ajr s PRO 114 Cb 0.00 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2ajr s PRO 114 CO 0.00 -0.62 1.54 -0.51 0.04 0.00 0.00 177.00 177.45 2ajr s ASP 115 N -2.82 6.71 -0.14 6.66 1.11 -1.26 -3.89 116.67 123.03 2ajr s ASP 115 Ca 0.62 2.35 -0.04 0.00 0.18 0.00 0.00 52.55 55.66 2ajr s ASP 115 Cb -0.14 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 2ajr s ASP 115 CO 0.34 -0.81 0.02 -0.69 1.18 0.00 0.00 175.17 175.21 2ajr s VAL 116 N 2.33 4.40 0.82 -1.27 1.01 -0.80 -4.83 120.40 122.06 2ajr s VAL 116 Ca 0.69 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2ajr s VAL 116 Cb -0.37 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.21 2ajr s VAL 116 CO 0.30 0.52 1.16 0.42 0.00 0.00 0.00 175.10 177.51 2ajr s THR 117 N -0.10 2.09 0.00 3.92 -4.23 -1.26 -4.40 115.64 111.66 2ajr s THR 117 Ca 0.05 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2ajr s THR 117 Cb -0.13 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2ajr s THR 117 CO 0.02 0.00 0.92 -0.67 -0.54 0.00 0.00 174.62 174.35 2ajr n ASP 118 N -3.31 2.57 0.00 3.99 2.03 -1.26 -2.14 116.55 118.43 2ajr n ASP 118 Ca 0.12 -1.55 0.00 0.00 0.52 0.00 0.00 54.79 53.88 2ajr n ASP 118 Cb 0.60 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2ajr n ASP 118 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ajr n ASP 120 N 1.15 0.00 -0.27 1.67 8.00 -1.26 -1.57 116.55 124.26 2ajr n ASP 120 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2ajr n ASP 120 Cb 0.31 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.51 2ajr n ASP 120 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ajr h VAL 121 N 0.00 1.26 -0.36 2.53 2.07 -1.79 -0.27 116.25 119.69 2ajr h VAL 121 Ca 0.00 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2ajr h VAL 121 Cb 0.00 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2ajr h VAL 121 CO 0.00 0.33 0.12 0.78 0.02 0.00 0.00 177.57 178.81 2ajr h ASN 122 N 1.13 0.52 -0.95 0.57 2.35 -1.58 -0.28 115.58 117.33 2ajr h ASN 122 Ca 0.26 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2ajr h ASN 122 Cb 0.20 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2ajr h ASN 122 CO -0.02 0.58 0.63 0.45 -1.65 0.00 0.00 177.43 177.42 2ajr h HIS 123 N 0.43 1.18 -0.31 1.19 3.86 -1.76 -1.32 115.15 118.42 2ajr h HIS 123 Ca 0.12 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2ajr h HIS 123 Cb 0.25 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2ajr h HIS 123 CO 0.01 0.73 0.18 0.35 0.86 0.00 0.00 177.93 180.05 2ajr h PHE 124 N 1.26 0.41 -0.48 2.45 3.57 -0.57 -2.28 116.94 121.30 2ajr h PHE 124 Ca 0.36 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 2ajr h PHE 124 Cb -0.10 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2ajr h PHE 124 CO -0.00 0.32 0.08 -0.07 -2.23 0.00 0.00 178.31 176.41 2ajr h LEU 125 N 0.38 0.70 -0.57 0.59 3.38 -0.34 0.75 115.31 120.21 2ajr h LEU 125 Ca 0.11 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2ajr h LEU 125 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2ajr h LEU 125 CO -0.02 0.72 0.09 -0.09 0.09 0.00 0.00 178.44 179.24 2ajr h ARG 126 N 0.72 0.95 -0.14 1.13 1.12 -1.17 -1.50 114.38 115.49 2ajr h ARG 126 Ca 0.15 -0.26 -0.19 0.00 -1.11 0.00 0.00 59.98 58.58 2ajr h ARG 126 Cb 0.33 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2ajr h ARG 126 CO 0.00 0.91 -0.68 0.00 -3.11 0.00 0.00 179.97 177.10 2ajr h ARG 127 N 0.85 0.56 -0.13 0.20 3.08 -0.97 -3.24 114.38 114.73 2ajr h ARG 127 Ca 0.17 -0.42 0.02 0.00 0.07 0.00 0.00 59.98 59.83 2ajr h ARG 127 Cb 0.42 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2ajr h ARG 127 CO 0.01 1.04 -0.02 -0.92 -1.07 0.00 0.00 179.97 179.01 2ajr h TYR 128 N 0.40 -0.04 0.00 3.04 3.20 -0.63 -1.87 116.97 121.07 2ajr h TYR 128 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2ajr h TYR 128 Cb 1.26 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2ajr h TYR 128 CO 0.06 -0.04 0.00 1.63 -1.64 0.00 0.00 178.16 178.16 2ajr n LYS 129 N -5.14 0.00 0.00 1.82 5.02 -0.58 -2.37 118.16 116.90 2ajr n LYS 129 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2ajr n LYS 129 Cb 0.09 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2ajr n LYS 129 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2ajr n THR 131 N 0.59 0.00 -0.10 -0.18 -1.04 -0.70 -4.08 114.28 108.77 2ajr n THR 131 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ajr n THR 131 Cb 0.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.79 2ajr n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ajr h LEU 132 N 0.00 0.67 -1.29 -4.42 3.38 -1.75 -1.09 115.31 110.81 2ajr h LEU 132 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2ajr h LEU 132 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ajr h LEU 132 CO 0.00 0.58 -0.05 0.77 0.09 0.00 0.00 178.44 179.83 2ajr h SER 133 N 0.75 0.00 0.61 -0.43 4.64 -1.89 -2.85 113.55 114.37 2ajr h SER 133 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2ajr h SER 133 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ajr h SER 133 CO -0.02 0.05 -0.22 0.29 -0.87 0.00 0.00 176.83 176.06 2ajr n LYS 134 N -3.16 0.24 -4.30 4.77 4.01 -0.42 -4.94 118.16 114.34 2ajr n LYS 134 Ca 0.01 -0.09 -0.20 0.00 -0.51 0.00 0.00 58.31 57.51 2ajr n LYS 134 Cb 0.35 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.26 2ajr n LYS 134 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2ajr s VAL 135 N -2.82 1.65 -0.13 -0.18 -7.23 -1.08 -4.97 120.40 105.64 2ajr s VAL 135 Ca 0.18 -1.87 0.18 0.00 -1.81 0.00 0.00 61.98 58.66 2ajr s VAL 135 Cb 0.19 -1.75 -0.22 0.00 0.56 0.00 0.00 36.38 35.15 2ajr s VAL 135 CO 0.57 -0.37 0.48 -0.90 -0.31 0.00 0.00 175.10 174.58 2ajr n ASP 136 N 0.33 0.37 -3.61 4.85 5.68 -1.26 -4.92 116.55 117.99 2ajr n ASP 136 Ca -0.14 0.16 -0.12 0.00 -0.50 0.00 0.00 54.79 54.20 2ajr n ASP 136 Cb 0.57 0.86 -0.05 0.00 -1.14 0.00 0.00 41.12 41.37 2ajr n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ajr s VAL 138 N -3.26 1.29 -0.18 0.00 0.11 0.32 -1.99 120.40 116.70 2ajr s VAL 138 Ca -0.01 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 57.99 2ajr s VAL 138 Cb 0.01 -1.15 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2ajr s VAL 138 CO -0.08 0.07 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.90 2ajr s VAL 139 N -0.83 1.90 -0.30 2.04 1.01 0.45 -0.87 120.40 123.81 2ajr s VAL 139 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2ajr s VAL 139 Cb -0.08 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.59 2ajr s VAL 139 CO 0.01 0.45 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 2ajr s ILE 140 N 1.34 2.66 0.04 2.22 1.01 -0.48 -0.57 121.20 127.42 2ajr s ILE 140 Ca 0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.03 2ajr s ILE 140 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2ajr s ILE 140 CO -0.12 -0.16 0.11 -0.94 0.00 0.00 0.00 174.94 173.83 2ajr s SER 141 N 1.21 0.18 0.00 3.58 1.04 -1.18 -2.39 113.70 116.13 2ajr s SER 141 Ca -0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2ajr s SER 141 Cb -0.20 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2ajr s SER 141 CO -0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2ajr n GLY 142 N 0.68 -3.07 3.76 7.32 0.00 -0.57 -4.29 105.19 109.02 2ajr n GLY 142 Ca -0.18 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2ajr n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ajr s SER 143 N -1.60 3.57 -0.09 1.61 1.04 -1.26 -4.87 113.70 112.09 2ajr s SER 143 Ca 0.00 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.51 2ajr s SER 143 Cb 0.00 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 2ajr s SER 143 CO 0.00 -2.53 0.12 -0.63 0.98 0.00 0.00 173.24 171.18 2ajr s ILE 144 N -3.16 5.25 0.60 -1.02 -1.09 -1.26 -3.24 121.20 117.29 2ajr s ILE 144 Ca 0.63 0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.98 2ajr s ILE 144 Cb -0.16 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 2ajr s ILE 144 CO 0.55 0.57 1.02 -2.16 -1.23 0.00 0.00 174.94 173.69 2ajr s PRO 145 N -1.16 3.58 0.45 2.79 0.04 -1.26 -4.90 135.00 134.54 2ajr s PRO 145 Ca 0.17 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 2ajr s PRO 145 Cb -0.12 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2ajr s PRO 145 CO 0.06 -0.58 1.16 -2.30 0.04 0.00 0.00 177.00 175.38 2ajr n PRO 146 N -2.47 1.60 -0.10 0.56 -0.02 -1.25 -3.01 135.00 130.31 2ajr n PRO 146 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ajr n PRO 146 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2ajr n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajr n GLY 147 N 0.98 0.89 3.79 -1.23 0.00 -1.26 -1.91 105.19 106.45 2ajr n GLY 147 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2ajr n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 148 N -2.43 5.45 0.20 1.61 1.01 -1.16 -4.80 120.40 120.27 2ajr s VAL 148 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2ajr s VAL 148 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2ajr s VAL 148 CO 0.00 0.51 1.39 0.21 0.00 0.00 0.00 175.10 177.21 2ajr s ASN 149 N -0.18 6.78 0.39 3.32 3.84 -1.26 -4.89 114.94 122.94 2ajr s ASN 149 Ca 0.11 2.49 0.27 0.00 0.21 0.00 0.00 52.86 55.94 2ajr s ASN 149 Cb -0.11 -2.61 1.39 0.00 -0.55 0.00 0.00 41.25 39.37 2ajr s ASN 149 CO 0.00 -0.63 1.83 -0.33 -2.79 0.00 0.00 177.10 175.18 2ajr h GLU 150 N 5.64 0.00 0.00 0.43 5.08 -1.97 -1.25 114.58 122.51 2ajr h GLU 150 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ajr h GLU 150 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ajr h GLU 150 CO 0.80 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 179.59 2ajr h GLY 151 N 0.57 0.00 0.59 -3.84 0.00 -1.94 -3.33 103.07 95.12 2ajr h GLY 151 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2ajr h GLY 151 CO 0.00 0.00 0.54 1.19 0.00 0.00 0.00 176.54 178.27 2ajr h ILE 152 N 0.00 0.97 -0.63 2.60 2.10 -1.61 -1.26 117.51 119.68 2ajr h ILE 152 Ca 0.00 -0.32 0.05 0.00 1.08 0.00 0.00 64.86 65.67 2ajr h ILE 152 Cb 0.37 -0.03 -0.04 0.00 -1.09 0.00 0.00 36.82 36.03 2ajr h ILE 152 CO 0.00 0.17 0.41 0.00 -1.08 0.00 0.00 178.15 177.65 2ajr h ASN 154 N 0.67 0.32 -0.65 0.00 -0.73 -1.49 -2.14 115.58 111.56 2ajr h ASN 154 Ca 0.26 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 2ajr h ASN 154 Cb 0.19 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 2ajr h ASN 154 CO -0.08 0.36 0.32 -0.08 -0.37 0.00 0.00 177.43 177.58 2ajr h GLU 155 N 0.26 0.96 -0.54 6.67 4.57 -0.64 -0.81 114.58 125.05 2ajr h GLU 155 Ca 0.08 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 2ajr h GLU 155 Cb 0.12 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2ajr h GLU 155 CO -0.01 0.75 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.49 2ajr h LEU 156 N 0.96 0.94 -0.55 1.64 3.38 -0.85 -0.04 115.31 120.79 2ajr h LEU 156 Ca 0.23 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2ajr h LEU 156 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2ajr h LEU 156 CO -0.03 1.02 -0.10 0.58 0.09 0.00 0.00 178.44 180.00 2ajr h VAL 157 N 0.83 1.27 0.08 1.22 2.07 -1.05 -2.56 116.25 118.11 2ajr h VAL 157 Ca 0.15 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2ajr h VAL 157 Cb 0.55 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2ajr h VAL 157 CO 0.03 0.45 -0.04 -0.09 0.02 0.00 0.00 177.57 177.94 2ajr h ARG 158 N 0.91 -0.10 -0.49 1.57 2.43 -0.77 0.11 114.38 118.05 2ajr h ARG 158 Ca 0.14 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2ajr h ARG 158 Cb 0.67 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 2ajr h ARG 158 CO 0.05 0.18 0.20 -0.07 -1.51 0.00 0.00 179.97 178.82 2ajr h LEU 159 N -0.38 0.24 -0.19 3.80 3.38 -1.07 0.39 115.31 121.48 2ajr h LEU 159 Ca -0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2ajr h LEU 159 Cb 0.33 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2ajr h LEU 159 CO 0.02 0.17 0.06 0.00 0.09 0.00 0.00 178.44 178.78 2ajr h ALA 160 N 1.30 0.20 -0.18 1.53 0.00 -1.24 -3.12 119.26 117.75 2ajr h ALA 160 Ca 0.23 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2ajr h ALA 160 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ajr h ALA 160 CO -0.21 -0.37 -0.50 -0.09 0.00 0.00 0.00 179.25 178.08 2ajr h ARG 161 N 0.15 0.66 -0.29 0.00 9.65 -0.35 -1.00 114.38 123.20 2ajr h ARG 161 Ca 0.08 -0.47 0.08 0.00 -1.10 0.00 0.00 59.98 58.58 2ajr h ARG 161 Cb 0.05 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2ajr h ARG 161 CO -0.08 1.09 0.30 0.93 2.80 0.00 0.00 179.97 185.01 2ajr h GLU 162 N 0.35 0.00 -0.67 0.20 5.08 -0.96 -1.12 114.58 117.46 2ajr h GLU 162 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ajr h GLU 162 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2ajr h GLU 162 CO 0.11 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.99 2ajr n ARG 163 N -3.82 3.54 -1.43 2.33 0.63 -0.86 -4.93 116.66 112.11 2ajr n ARG 163 Ca 0.04 -2.80 -0.15 0.00 -0.92 0.00 0.00 57.85 54.02 2ajr n ARG 163 Cb 0.45 -1.84 -0.06 0.00 0.45 0.00 0.00 32.46 31.46 2ajr n ARG 163 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ajr n GLY 164 N 1.24 1.53 3.73 5.14 0.00 -0.42 -4.99 105.19 111.41 2ajr n GLY 164 Ca 0.25 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2ajr n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 165 N -2.54 4.95 0.20 1.61 1.01 -0.44 -5.01 120.40 120.19 2ajr s VAL 165 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 2ajr s VAL 165 Cb 0.00 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2ajr s VAL 165 CO 0.00 0.28 1.17 0.12 0.00 0.00 0.00 175.10 176.67 2ajr s PHE 166 N 0.56 3.47 -0.12 5.22 2.19 -1.15 -4.19 117.98 123.96 2ajr s PHE 166 Ca 0.39 1.50 0.03 0.00 0.33 0.00 0.00 56.93 59.17 2ajr s PHE 166 Cb -0.19 -3.39 0.01 0.00 -1.31 0.00 0.00 43.02 38.14 2ajr s PHE 166 CO 0.20 -1.02 -0.21 0.08 1.83 0.00 0.00 175.22 176.10 2ajr s VAL 167 N -0.28 1.89 -0.14 3.12 1.01 -1.26 -0.52 120.40 124.21 2ajr s VAL 167 Ca 0.51 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2ajr s VAL 167 Cb -0.32 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2ajr s VAL 167 CO 0.37 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.63 2ajr s PHE 168 N 0.69 3.13 -0.04 5.22 0.40 -0.05 -1.06 117.98 126.26 2ajr s PHE 168 Ca -0.11 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 2ajr s PHE 168 Cb -0.16 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.43 2ajr s PHE 168 CO 0.02 0.17 -0.14 0.08 0.70 0.00 0.00 175.22 176.04 2ajr s VAL 169 N -0.00 1.22 -0.29 -0.44 1.01 0.16 -1.38 120.40 120.68 2ajr s VAL 169 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2ajr s VAL 169 Cb -0.13 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.27 2ajr s VAL 169 CO 0.02 0.36 0.03 -0.70 0.00 0.00 0.00 175.10 174.81 2ajr s GLU 170 N 0.20 1.27 0.16 2.72 2.12 -1.00 -0.81 118.70 123.35 2ajr s GLU 170 Ca -0.06 -1.28 -0.09 0.00 0.36 0.00 0.00 54.97 53.90 2ajr s GLU 170 Cb -0.12 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2ajr s GLU 170 CO 0.02 -0.83 0.27 -0.65 -0.54 0.00 0.00 175.26 173.53 2ajr s GLN 171 N 1.32 1.12 0.75 4.30 -0.21 -1.24 -1.51 119.66 124.19 2ajr s GLN 171 Ca 0.04 -1.16 -0.12 0.00 0.02 0.00 0.00 55.36 54.15 2ajr s GLN 171 Cb -0.18 0.37 0.05 0.00 1.00 0.00 0.00 33.01 34.24 2ajr s GLN 171 CO -0.13 -0.40 1.10 0.95 -2.12 0.00 0.00 175.29 174.69 2ajr s THR 172 N -3.96 3.19 0.23 -0.19 -4.23 -1.26 -1.45 115.64 107.97 2ajr s THR 172 Ca 0.16 0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 2ajr s THR 172 Cb 0.04 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 71.17 2ajr s THR 172 CO -0.01 -0.45 1.69 -0.65 -0.54 0.00 0.00 174.62 174.66 2ajr h PRO 173 N -0.81 0.24 -0.24 3.99 0.11 -1.98 -0.20 132.00 133.10 2ajr h PRO 173 Ca -0.45 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 2ajr h PRO 173 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2ajr h PRO 173 CO 0.51 0.16 0.03 -0.09 -0.21 0.00 0.00 178.00 178.40 2ajr h ARG 174 N 0.25 0.11 -0.45 1.05 2.43 -1.94 0.43 114.38 116.25 2ajr h ARG 174 Ca 0.36 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 2ajr h ARG 174 Cb 0.59 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2ajr h ARG 174 CO -0.47 0.07 -0.11 -0.07 -1.51 0.00 0.00 179.97 177.88 2ajr h LEU 175 N 0.11 0.81 -0.65 3.80 3.38 -1.78 -3.14 115.31 117.84 2ajr h LEU 175 Ca 0.11 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2ajr h LEU 175 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2ajr h LEU 175 CO -0.17 0.94 -0.23 -0.07 0.09 0.00 0.00 178.44 179.00 2ajr h LEU 176 N 0.74 0.83 -0.93 1.67 3.38 0.35 -1.92 115.31 119.43 2ajr h LEU 176 Ca 0.12 -0.31 0.24 0.00 0.09 0.00 0.00 57.88 58.03 2ajr h LEU 176 Cb 0.61 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 2ajr h LEU 176 CO 0.04 1.03 0.43 -0.08 0.09 0.00 0.00 178.44 179.95 2ajr h GLU 177 N 0.70 0.39 -0.18 1.13 4.57 -0.19 0.19 114.58 121.19 2ajr h GLU 177 Ca 0.09 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.08 2ajr h GLU 177 Cb 0.76 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2ajr h GLU 177 CO 0.06 0.26 -0.59 -0.09 -1.18 0.00 0.00 179.01 177.47 2ajr h ARG 178 N 0.40 0.58 -0.21 1.92 9.65 -1.32 -2.27 114.38 123.14 2ajr h ARG 178 Ca 0.60 -0.39 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 2ajr h ARG 178 Cb 1.18 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 2ajr h ARG 178 CO -0.54 1.01 -0.06 0.82 2.80 0.00 0.00 179.97 183.99 2ajr h ILE 179 N 0.44 1.29 0.00 1.20 2.04 -0.84 -3.18 117.51 118.46 2ajr h ILE 179 Ca -0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2ajr h ILE 179 Cb 1.15 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2ajr h ILE 179 CO 0.11 0.33 0.00 -1.22 0.00 0.00 0.00 178.15 177.37 2ajr n TYR 180 N -4.60 0.00 0.42 1.37 4.02 0.58 -1.78 117.16 117.18 2ajr n TYR 180 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.68 2ajr n TYR 180 Cb 0.30 -0.28 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 2ajr n TYR 180 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2ajr h GLU 181 N 0.00 -1.04 -7.37 -0.72 5.08 -1.39 -3.48 114.58 105.67 2ajr h GLU 181 Ca 0.00 0.07 -0.49 0.00 -1.00 0.00 0.00 59.36 57.94 2ajr h GLU 181 Cb 0.20 0.24 0.13 0.00 0.50 0.00 0.00 28.75 29.81 2ajr h GLU 181 CO 0.00 -0.69 0.31 0.20 -1.00 0.00 0.00 179.01 177.82 2ajr s GLY 182 N -1.83 1.63 0.55 -3.84 0.00 -0.74 -4.90 107.32 98.19 2ajr s GLY 182 Ca -0.16 -0.08 0.23 0.00 0.00 0.00 0.00 44.72 44.72 2ajr s GLY 182 CO 0.47 0.35 2.08 -0.56 0.00 0.00 0.00 173.10 175.45 2ajr h PRO 183 N -1.23 0.00 -6.22 2.90 0.13 -1.93 -3.42 132.00 122.23 2ajr h PRO 183 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2ajr h PRO 183 Cb 1.26 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 2ajr h PRO 183 CO 0.56 0.00 -0.60 -1.21 -0.23 0.00 0.00 178.00 176.52 2ajr s GLU 184 N -4.92 2.55 0.05 0.86 0.41 -1.26 -5.14 118.70 111.26 2ajr s GLU 184 Ca -0.05 -1.24 0.02 0.00 -0.41 0.00 0.00 54.97 53.29 2ajr s GLU 184 Cb 0.17 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 30.16 2ajr s GLU 184 CO 0.66 0.39 -0.07 -0.06 -0.49 0.00 0.00 175.26 175.68 2ajr s PHE 185 N -2.18 0.67 0.50 1.61 0.08 -1.26 -4.81 117.98 112.60 2ajr s PHE 185 Ca 0.31 -0.56 -0.23 0.00 0.12 0.00 0.00 56.93 56.57 2ajr s PHE 185 Cb -0.07 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.91 2ajr s PHE 185 CO 0.22 -0.10 1.34 -2.14 -0.10 0.00 0.00 175.22 174.43 2ajr s PRO 186 N -1.88 3.44 0.08 0.24 0.02 -1.26 -4.94 135.00 130.71 2ajr s PRO 186 Ca -0.07 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 62.99 2ajr s PRO 186 Cb -0.08 -2.42 -0.13 0.00 0.02 0.00 0.00 34.50 31.90 2ajr s PRO 186 CO -0.00 -0.94 1.34 -0.91 -0.33 0.00 0.00 177.00 176.16 2ajr h ASN 187 N 1.87 0.76 -3.19 2.53 4.21 -1.46 -3.38 115.58 116.91 2ajr h ASN 187 Ca -0.50 -0.55 -0.55 0.00 1.21 0.00 0.00 56.30 55.90 2ajr h ASN 187 Cb 1.28 -0.22 -0.36 0.00 -1.12 0.00 0.00 38.32 37.90 2ajr h ASN 187 CO 0.59 1.17 -0.82 -0.69 -1.29 0.00 0.00 177.43 176.40 2ajr s VAL 188 N -4.03 1.24 -0.06 2.81 1.01 -0.69 -1.71 120.40 118.96 2ajr s VAL 188 Ca -0.12 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2ajr s VAL 188 Cb 0.08 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2ajr s VAL 188 CO 0.85 0.40 -0.22 0.54 0.00 0.00 0.00 175.10 176.67 2ajr s VAL 189 N 1.48 2.33 -0.36 2.92 0.11 -0.55 -0.66 120.40 125.67 2ajr s VAL 189 Ca 0.02 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2ajr s VAL 189 Cb -0.13 -1.87 0.12 0.00 -1.53 0.00 0.00 36.38 32.97 2ajr s VAL 189 CO -0.07 0.57 0.18 -0.75 -3.33 0.00 0.00 175.10 171.70 2ajr s LYS 190 N -0.23 0.79 0.44 1.54 2.20 0.01 -0.72 119.74 123.77 2ajr s LYS 190 Ca -0.01 -1.40 -0.24 0.00 -0.36 0.00 0.00 55.97 53.96 2ajr s LYS 190 Cb -0.13 -1.79 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 2ajr s LYS 190 CO 0.03 -1.12 1.26 -2.14 -0.36 0.00 0.00 175.35 173.02 2ajr s PRO 191 N 1.09 3.78 -0.47 4.03 0.02 -1.24 -3.72 135.00 138.49 2ajr s PRO 191 Ca 0.15 2.03 -0.20 0.00 0.02 0.00 0.00 61.00 63.00 2ajr s PRO 191 Cb -0.21 -2.57 0.04 0.00 0.02 0.00 0.00 34.50 31.78 2ajr s PRO 191 CO -0.10 -0.61 0.64 0.34 -0.33 0.00 0.00 177.00 176.94 2ajr s ASP 192 N -0.99 6.27 0.00 2.53 2.15 -0.53 -4.70 116.67 121.41 2ajr s ASP 192 Ca 0.61 -0.60 0.22 0.00 0.43 0.00 0.00 52.55 53.21 2ajr s ASP 192 Cb -0.35 -2.31 0.15 0.00 -0.30 0.00 0.00 42.92 40.12 2ajr s ASP 192 CO 0.44 -0.83 1.18 0.18 -0.17 0.00 0.00 175.17 175.96 2ajr n LEU 193 N 6.24 2.73 -4.68 -1.34 4.77 -1.26 -4.18 117.00 119.28 2ajr n LEU 193 Ca -0.04 -0.97 -0.51 0.00 -0.03 0.00 0.00 56.01 54.46 2ajr n LEU 193 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2ajr n LEU 193 CO 0.54 0.47 1.37 0.54 -1.33 0.00 0.00 177.39 178.98 2ajr n ARG 194 N 1.09 1.79 -1.28 3.23 1.74 -1.26 -1.60 116.66 120.38 2ajr n ARG 194 Ca 0.12 0.66 -0.09 0.00 -0.77 0.00 0.00 57.85 57.77 2ajr n ARG 194 Cb 0.54 -2.43 -0.04 0.00 -1.02 0.00 0.00 32.46 29.51 2ajr n ARG 194 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ajr n GLY 195 N 4.12 1.06 3.73 -0.13 0.00 -1.26 -4.99 105.19 107.72 2ajr n GLY 195 Ca 0.23 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2ajr n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ajr s ASN 196 N -2.90 7.16 -0.00 1.61 2.47 -0.62 -4.93 114.94 117.73 2ajr s ASN 196 Ca 0.00 1.39 0.00 0.00 0.42 0.00 0.00 52.86 54.67 2ajr s ASN 196 Cb 0.00 -2.47 -0.00 0.00 -1.45 0.00 0.00 41.25 37.33 2ajr s ASN 196 CO 0.00 -0.08 0.00 0.00 -3.72 0.00 0.00 177.10 173.30 2ajr n HIS 197 N 3.33 0.00 -2.34 0.43 1.44 -1.26 -5.08 115.22 111.74 2ajr n HIS 197 Ca -0.01 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 2ajr n HIS 197 Cb 0.51 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 2ajr n HIS 197 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ajr s ALA 198 N -1.82 3.10 0.59 1.59 0.00 -1.26 -5.01 121.76 118.95 2ajr s ALA 198 Ca -0.00 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 2ajr s ALA 198 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2ajr s ALA 198 CO 0.00 -0.30 1.12 -1.54 0.00 0.00 0.00 175.76 175.04 2ajr s SER 199 N -3.29 5.48 -0.07 0.00 1.04 -1.26 -4.79 113.70 110.80 2ajr s SER 199 Ca 0.58 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 59.11 2ajr s SER 199 Cb -0.10 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.48 2ajr s SER 199 CO 0.36 -1.38 -0.01 0.12 0.98 0.00 0.00 173.24 173.30 2ajr s PHE 200 N -1.99 0.72 -1.55 5.02 5.36 -0.02 -4.78 117.98 120.74 2ajr s PHE 200 Ca 0.71 -0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 56.32 2ajr s PHE 200 Cb -0.23 -0.79 0.12 0.00 -0.34 0.00 0.00 43.02 41.78 2ajr s PHE 200 CO 0.33 -0.31 0.76 1.28 -1.46 0.00 0.00 175.22 175.81 2ajr n LEU 201 N 4.91 -1.83 0.00 6.12 4.77 -1.26 -0.91 117.00 128.80 2ajr n LEU 201 Ca -0.11 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2ajr n LEU 201 Cb 0.50 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 2ajr n LEU 201 CO 0.13 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2ajr n GLY 202 N -1.39 0.94 3.52 -0.72 0.00 -1.26 -5.03 105.19 101.25 2ajr n GLY 202 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2ajr n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 203 N -3.61 4.29 -0.37 1.61 1.01 -0.09 -5.07 120.40 118.16 2ajr s VAL 203 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2ajr s VAL 203 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2ajr s VAL 203 CO 0.00 0.43 0.49 -0.62 0.00 0.00 0.00 175.10 175.40 2ajr s ASP 204 N 0.83 6.27 -0.92 3.32 2.15 -1.26 -0.84 116.67 126.22 2ajr s ASP 204 Ca 0.02 -0.21 -0.24 0.00 0.43 0.00 0.00 52.55 52.55 2ajr s ASP 204 Cb -0.14 -2.25 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2ajr s ASP 204 CO 0.02 -0.51 1.35 -0.76 -0.17 0.00 0.00 175.17 175.10 2ajr s LEU 205 N 2.33 3.60 0.00 -1.34 1.43 -1.26 -4.62 118.68 118.83 2ajr s LEU 205 Ca 0.17 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 2ajr s LEU 205 Cb -0.16 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2ajr s LEU 205 CO 0.14 -1.55 0.00 1.17 0.23 0.00 0.00 176.35 176.34 2ajr n LYS 206 N 8.74 3.22 -4.06 1.70 3.00 -1.26 -5.04 118.16 124.46 2ajr n LYS 206 Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.42 2ajr n LYS 206 Cb 0.50 -0.47 -0.11 0.00 0.00 0.00 0.00 35.03 34.95 2ajr n LYS 206 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2ajr s THR 207 N -0.66 0.43 0.33 3.15 -4.23 -1.26 -5.03 115.64 108.37 2ajr s THR 207 Ca 0.00 -1.21 0.12 0.00 -1.18 0.00 0.00 61.69 59.43 2ajr s THR 207 Cb 0.00 -0.73 0.34 0.00 1.34 0.00 0.00 72.50 73.45 2ajr s THR 207 CO 0.00 -0.53 1.63 0.15 -0.54 0.00 0.00 174.62 175.34 2ajr h PHE 208 N 4.23 0.70 -0.30 3.99 3.57 -2.00 0.33 116.94 127.47 2ajr h PHE 208 Ca -0.35 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 2ajr h PHE 208 Cb 1.19 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2ajr h PHE 208 CO 0.63 -0.27 0.02 0.22 -2.23 0.00 0.00 178.31 176.68 2ajr h ASP 209 N 0.20 0.41 -0.22 0.41 3.58 -1.98 -0.32 116.42 118.50 2ajr h ASP 209 Ca 0.71 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 58.09 2ajr h ASP 209 Cb 1.65 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 2ajr h ASP 209 CO -0.68 0.46 0.11 0.44 -2.88 0.00 0.00 179.24 176.69 2ajr h ASP 210 N 0.44 0.29 -0.24 2.28 3.32 -0.69 0.22 116.42 122.03 2ajr h ASP 210 Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2ajr h ASP 210 Cb 0.26 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2ajr h ASP 210 CO 0.00 0.33 0.04 1.88 -1.72 0.00 0.00 179.24 179.78 2ajr h TYR 211 N 0.23 0.51 -0.15 4.55 -1.99 -0.98 -0.53 116.97 118.61 2ajr h TYR 211 Ca 0.08 -0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 2ajr h TYR 211 Cb 0.11 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 2ajr h TYR 211 CO -0.02 0.47 -0.24 0.28 -0.00 0.00 0.00 178.16 178.65 2ajr h VAL 212 N 0.49 1.36 -0.90 -2.88 2.07 -0.77 -1.65 116.25 113.96 2ajr h VAL 212 Ca 0.11 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.20 2ajr h VAL 212 Cb 0.25 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2ajr h VAL 212 CO 0.00 0.44 0.59 0.11 0.02 0.00 0.00 177.57 178.73 2ajr h LYS 213 N 0.06 1.08 -0.37 1.57 6.56 -0.22 -1.12 116.57 124.12 2ajr h LYS 213 Ca 0.01 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 2ajr h LYS 213 Cb 0.82 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 2ajr h LYS 213 CO 0.06 0.72 0.04 1.25 -2.06 0.00 0.00 179.45 179.45 2ajr h LEU 214 N 1.11 0.60 -1.08 2.94 5.85 -0.95 -0.84 115.31 122.95 2ajr h LEU 214 Ca 0.36 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ajr h LEU 214 Cb 0.05 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 2ajr h LEU 214 CO -0.11 0.73 0.62 0.00 -0.34 0.00 0.00 178.44 179.33 2ajr h ALA 215 N 0.90 1.43 -0.26 1.25 0.00 -0.79 -2.17 119.26 119.62 2ajr h ALA 215 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2ajr h ALA 215 Cb 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ajr h ALA 215 CO 0.01 0.46 -0.36 0.93 0.00 0.00 0.00 179.25 180.28 2ajr h GLU 216 N 1.15 0.70 -0.57 0.00 5.08 -0.80 -1.55 114.58 118.59 2ajr h GLU 216 Ca 0.39 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ajr h GLU 216 Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2ajr h GLU 216 CO -0.14 1.03 0.37 0.87 -1.00 0.00 0.00 179.01 180.14 2ajr h LYS 217 N 0.43 0.72 -0.25 2.33 1.57 -1.02 -1.41 116.57 118.94 2ajr h LYS 217 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2ajr h LYS 217 Cb 0.95 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2ajr h LYS 217 CO 0.09 0.48 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.21 2ajr h LEU 218 N 0.74 0.42 -0.11 2.94 3.38 -1.38 -2.80 115.31 118.49 2ajr h LEU 218 Ca 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ajr h LEU 218 Cb -0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ajr h LEU 218 CO -0.06 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.08 2ajr n ALA 219 N -2.48 2.11 -0.25 1.53 0.00 -0.59 -0.93 120.51 119.90 2ajr n ALA 219 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2ajr n ALA 219 Cb 0.34 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.41 2ajr n ALA 219 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ajr h GLU 220 N 0.00 1.14 0.00 0.00 5.08 -1.00 -3.36 114.58 116.44 2ajr h GLU 220 Ca 0.00 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 2ajr h GLU 220 Cb 0.53 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ajr h GLU 220 CO 0.00 1.02 -1.77 1.63 -1.00 0.00 0.00 179.01 178.89 2ajr n LYS 221 N -4.22 1.00 -4.19 2.33 5.02 -1.11 -4.96 118.16 112.02 2ajr n LYS 221 Ca 0.05 -0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 2ajr n LYS 221 Cb 0.27 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 2ajr n LYS 221 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ajr s SER 222 N -4.07 4.83 0.25 4.39 0.01 -0.11 -4.79 113.70 114.21 2ajr s SER 222 Ca -0.06 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 56.95 2ajr s SER 222 Cb 0.07 -1.06 0.27 0.00 0.21 0.00 0.00 66.02 65.51 2ajr s SER 222 CO 0.58 0.11 1.56 1.56 0.41 0.00 0.00 173.24 177.47 2ajr h GLN 223 N 2.90 0.07 -3.06 12.44 4.20 -1.51 -3.37 115.11 126.78 2ajr h GLN 223 Ca -0.47 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.02 2ajr h GLN 223 Cb 1.19 0.01 -0.27 0.00 0.30 0.00 0.00 27.48 28.72 2ajr h GLN 223 CO 0.58 0.70 -0.42 0.54 -0.67 0.00 0.00 178.83 179.56 2ajr s VAL 224 N -3.56 -0.01 -0.03 -0.54 0.11 -0.70 -4.27 120.40 111.41 2ajr s VAL 224 Ca -0.02 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 2ajr s VAL 224 Cb 0.12 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2ajr s VAL 224 CO 0.78 0.02 -0.25 -0.94 -3.33 0.00 0.00 175.10 171.37 2ajr s SER 225 N 0.47 3.01 -0.20 3.54 1.04 -0.75 -1.48 113.70 119.34 2ajr s SER 225 Ca -0.03 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2ajr s SER 225 Cb -0.04 -0.49 0.04 0.00 0.10 0.00 0.00 66.02 65.63 2ajr s SER 225 CO -0.02 0.29 -0.11 -0.69 0.98 0.00 0.00 173.24 173.69 2ajr s VAL 226 N -0.46 1.68 -0.10 5.02 1.01 0.10 -1.66 120.40 125.98 2ajr s VAL 226 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2ajr s VAL 226 Cb -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ajr s VAL 226 CO 0.00 0.17 -0.22 -0.69 0.00 0.00 0.00 175.10 174.36 2ajr s VAL 227 N 1.38 1.91 0.27 2.92 1.01 0.07 -3.63 120.40 124.33 2ajr s VAL 227 Ca -0.02 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2ajr s VAL 227 Cb -0.16 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2ajr s VAL 227 CO -0.08 0.53 0.88 -0.44 0.00 0.00 0.00 175.10 175.99 2ajr s SER 228 N 0.42 7.35 -0.07 3.32 0.01 -1.26 -0.13 113.70 123.34 2ajr s SER 228 Ca -0.18 1.76 -0.03 0.00 1.31 0.00 0.00 55.95 58.81 2ajr s SER 228 Cb -0.17 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2ajr s SER 228 CO 0.07 0.03 0.14 -0.47 0.41 0.00 0.00 173.24 173.42 2ajr s TYR 229 N -1.46 -0.13 -1.45 2.43 5.04 -0.86 -4.90 117.35 116.03 2ajr s TYR 229 Ca 0.45 0.53 -0.09 0.00 -2.44 0.00 0.00 57.07 55.52 2ajr s TYR 229 Cb -0.20 -0.30 0.05 0.00 0.35 0.00 0.00 41.96 41.86 2ajr s TYR 229 CO 0.25 -0.25 0.89 0.39 -1.34 0.00 0.00 175.55 175.49 2ajr n GLU 230 N 5.26 -5.38 0.00 4.97 -0.58 -1.26 -2.78 120.64 120.87 2ajr n GLU 230 Ca -0.05 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 2ajr n GLU 230 Cb 0.50 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 2ajr n GLU 230 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ajr n VAL 231 N -4.56 0.00 -1.58 2.62 0.31 -1.26 -4.41 118.33 109.45 2ajr n VAL 231 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 2ajr n VAL 231 Cb 0.58 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.70 2ajr n VAL 231 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2ajr n LYS 232 N 0.00 1.87 -3.97 5.55 2.85 -1.25 -4.99 118.16 118.21 2ajr n LYS 232 Ca 0.00 -3.34 -0.09 0.00 -1.05 0.00 0.00 58.31 53.83 2ajr n LYS 232 Cb 0.00 -1.77 -0.08 0.00 -0.65 0.00 0.00 35.03 32.53 2ajr n LYS 232 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2ajr s ASN 233 N -2.97 0.17 -0.10 -5.58 0.01 -1.12 -1.69 114.94 103.67 2ajr s ASN 233 Ca 0.42 -0.87 -0.05 0.00 -0.71 0.00 0.00 52.86 51.65 2ajr s ASN 233 Cb 0.39 0.35 0.04 0.00 0.41 0.00 0.00 41.25 42.45 2ajr s ASN 233 CO -0.03 -0.77 0.23 -1.81 -1.51 0.00 0.00 177.10 173.20 2ajr s ASP 234 N -2.94 -0.23 -0.15 -1.22 1.01 -0.37 -2.03 116.67 110.74 2ajr s ASP 234 Ca 0.13 0.48 -0.22 0.00 0.71 0.00 0.00 52.55 53.65 2ajr s ASP 234 Cb 0.05 0.36 -0.03 0.00 1.01 0.00 0.00 42.92 44.32 2ajr s ASP 234 CO -0.05 -0.16 0.68 -0.63 0.21 0.00 0.00 175.17 175.22 2ajr s ILE 235 N 1.24 5.01 -0.23 0.77 1.01 0.82 -1.11 121.20 128.70 2ajr s ILE 235 Ca -0.09 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.85 2ajr s ILE 235 Cb -0.11 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 2ajr s ILE 235 CO -0.08 0.14 -0.03 -0.69 0.00 0.00 0.00 174.94 174.28 2ajr s VAL 236 N 1.59 3.36 -0.13 2.92 1.01 -0.25 -0.75 120.40 128.16 2ajr s VAL 236 Ca 0.33 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2ajr s VAL 236 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2ajr s VAL 236 CO 0.13 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 2ajr s ALA 237 N 1.46 2.55 0.28 5.51 0.00 -0.67 -0.11 121.76 130.78 2ajr s ALA 237 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2ajr s ALA 237 Cb -0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2ajr s ALA 237 CO -0.03 0.24 0.05 0.25 0.00 0.00 0.00 175.76 176.28 2ajr n THR 238 N 3.55 0.00 0.21 0.00 -2.24 0.83 -1.81 114.28 114.82 2ajr n THR 238 Ca -0.18 -1.48 0.10 0.00 -2.27 0.00 0.00 64.05 60.21 2ajr n THR 238 Cb 0.53 0.42 0.29 0.00 -2.10 0.00 0.00 70.33 69.47 2ajr n THR 238 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ajr h ARG 239 N 0.00 0.00 0.00 -0.78 3.08 -1.82 -2.77 114.38 112.09 2ajr h ARG 239 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2ajr h ARG 239 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2ajr h ARG 239 CO 0.37 0.20 -0.22 1.05 -1.07 0.00 0.00 179.97 180.30 2ajr h GLU 240 N 0.00 0.00 0.00 0.04 9.09 -1.96 -3.50 114.58 118.25 2ajr h GLU 240 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ajr h GLU 240 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2ajr h GLU 240 CO 0.03 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.50 2ajr n GLY 241 N 1.20 -0.67 3.06 1.06 0.00 -1.05 -5.09 105.19 103.69 2ajr n GLY 241 Ca 0.04 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 2ajr n GLY 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 242 N -2.93 1.28 0.36 1.61 1.01 -1.26 -0.12 120.40 120.35 2ajr s VAL 242 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2ajr s VAL 242 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 2ajr s VAL 242 CO 0.00 0.39 -0.06 0.26 0.00 0.00 0.00 175.10 175.69 2ajr s TRP 243 N 0.60 2.42 -0.09 5.22 0.51 0.84 -0.15 118.94 128.30 2ajr s TRP 243 Ca -0.15 -0.56 -0.01 0.00 -2.12 0.00 0.00 56.10 53.26 2ajr s TRP 243 Cb -0.16 -1.49 0.03 0.00 -0.81 0.00 0.00 33.47 31.03 2ajr s TRP 243 CO 0.05 0.53 -0.04 -1.17 -0.51 0.00 0.00 176.95 175.80 2ajr s LEU 244 N -3.63 0.93 -0.22 2.99 2.96 0.15 -1.09 118.68 120.77 2ajr s LEU 244 Ca 0.33 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 2ajr s LEU 244 Cb 0.05 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 2ajr s LEU 244 CO 0.17 -0.14 0.13 -0.63 -1.32 0.00 0.00 176.35 174.55 2ajr s ILE 245 N 1.74 5.15 -0.03 6.68 1.01 -0.27 -0.77 121.20 134.72 2ajr s ILE 245 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2ajr s ILE 245 Cb -0.13 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2ajr s ILE 245 CO -0.06 0.38 -0.20 -0.13 0.00 0.00 0.00 174.94 174.94 2ajr s ARG 246 N 0.85 1.79 0.14 2.79 0.52 -0.46 -1.24 118.95 123.34 2ajr s ARG 246 Ca 0.06 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.25 2ajr s ARG 246 Cb -0.13 -1.64 -0.09 0.00 0.52 0.00 0.00 34.95 33.60 2ajr s ARG 246 CO 0.03 0.37 1.57 0.45 0.02 0.00 0.00 175.30 177.74 2ajr s SER 247 N -0.28 6.62 0.57 0.23 0.15 -0.68 -1.15 113.70 119.15 2ajr s SER 247 Ca 0.03 2.55 0.31 0.00 0.70 0.00 0.00 55.95 59.54 2ajr s SER 247 Cb -0.10 -2.59 1.74 0.00 -1.71 0.00 0.00 66.02 63.37 2ajr s SER 247 CO 0.01 -0.82 2.19 0.11 1.20 0.00 0.00 173.24 175.92 2ajr h LYS 248 N 7.17 0.00 -4.62 5.44 1.57 -1.54 -3.45 116.57 121.14 2ajr h LYS 248 Ca -0.42 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 2ajr h LYS 248 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.37 2ajr h LYS 248 CO 0.91 0.05 -0.68 -1.21 -0.57 0.00 0.00 179.45 177.96 2ajr s GLU 249 N -4.35 0.91 0.28 3.15 2.02 -1.26 -5.07 118.70 114.39 2ajr s GLU 249 Ca -0.04 -1.40 -0.29 0.00 0.02 0.00 0.00 54.97 53.26 2ajr s GLU 249 Cb 0.14 -0.12 -0.10 0.00 0.10 0.00 0.00 34.13 34.15 2ajr s GLU 249 CO 0.54 -0.10 1.33 -2.00 0.02 0.00 0.00 175.26 175.05 2ajr s GLU 250 N -3.90 4.36 0.36 1.61 2.56 -1.26 -5.02 118.70 117.40 2ajr s GLU 250 Ca 0.17 2.18 0.03 0.00 0.00 0.00 0.00 54.97 57.35 2ajr s GLU 250 Cb 0.06 -3.11 -0.02 0.00 2.00 0.00 0.00 34.13 33.07 2ajr s GLU 250 CO -0.02 -0.23 0.53 0.96 -0.56 0.00 0.00 175.26 175.94 2ajr s ILE 251 N -0.64 4.45 -0.54 -3.70 -0.00 -1.26 -5.05 121.20 114.46 2ajr s ILE 251 Ca 0.53 -0.73 -0.23 0.00 -0.00 0.00 0.00 60.65 60.21 2ajr s ILE 251 Cb -0.39 -3.60 0.04 0.00 -0.00 0.00 0.00 42.46 38.52 2ajr s ILE 251 CO 0.47 -0.32 0.89 -0.62 -0.00 0.00 0.00 174.94 175.36 2ajr s ASP 252 N -4.13 6.33 0.41 4.36 -1.08 -1.26 -4.90 116.67 116.39 2ajr s ASP 252 Ca 0.43 -0.41 0.29 0.00 -0.52 0.00 0.00 52.55 52.34 2ajr s ASP 252 Cb -0.10 -2.41 1.35 0.00 -1.46 0.00 0.00 42.92 40.30 2ajr s ASP 252 CO 0.34 -1.16 1.87 0.71 0.52 0.00 0.00 175.17 177.45 2ajr h THR 253 N 6.00 0.00 0.00 1.71 1.35 -1.97 0.29 112.91 120.29 2ajr h THR 253 Ca -0.26 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2ajr h THR 253 Cb 1.08 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2ajr h THR 253 CO 1.06 0.00 -0.03 0.77 -0.25 0.00 0.00 175.52 177.08 2ajr h SER 254 N 0.00 0.00 -0.51 5.36 4.64 -1.89 -3.29 113.55 117.87 2ajr h SER 254 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2ajr h SER 254 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ajr h SER 254 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2ajr n HIS 255 N -2.44 1.27 0.96 4.77 8.25 0.09 -4.55 115.22 123.56 2ajr n HIS 255 Ca 0.05 -0.49 0.13 0.00 -0.26 0.00 0.00 57.72 57.15 2ajr n HIS 255 Cb 0.45 -0.24 0.39 0.00 1.12 0.00 0.00 29.99 31.70 2ajr n HIS 255 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ajr n LEU 256 N 0.79 0.34 -4.66 2.41 4.77 -1.24 -4.21 117.00 115.21 2ajr n LEU 256 Ca 0.21 0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.97 2ajr n LEU 256 Cb 0.78 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2ajr n LEU 256 CO 0.20 0.06 1.60 -0.11 -1.33 0.00 0.00 177.39 177.81 2ajr n LEU 257 N -1.57 3.91 0.00 2.23 7.94 -1.26 -1.91 117.00 126.34 2ajr n LEU 257 Ca 0.06 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 2ajr n LEU 257 Cb 0.35 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.81 2ajr n LEU 257 CO 0.32 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 2ajr n GLY 258 N 4.64 0.80 0.33 -3.96 0.00 -1.26 -4.44 105.19 101.30 2ajr n GLY 258 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 2ajr n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ajr h ALA 259 N 0.00 1.60 0.00 4.61 0.00 -1.71 -2.61 119.26 121.15 2ajr h ALA 259 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2ajr h ALA 259 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2ajr h ALA 259 CO 0.00 0.37 -0.36 0.78 0.00 0.00 0.00 179.25 180.04 2ajr h GLY 260 N 0.76 0.00 1.63 0.00 0.00 -1.92 -1.22 103.07 102.33 2ajr h GLY 260 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.27 2ajr h GLY 260 CO -0.04 0.00 -1.19 -0.55 0.00 0.00 0.00 176.54 174.75 2ajr h ASP 261 N 0.00 0.43 -0.36 0.19 3.32 -1.82 -2.25 116.42 115.93 2ajr h ASP 261 Ca -0.00 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2ajr h ASP 261 Cb 0.71 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2ajr h ASP 261 CO 0.05 1.33 0.16 0.00 -1.72 0.00 0.00 179.24 179.05 2ajr h ALA 262 N 0.61 0.44 -0.27 3.45 0.00 -1.20 0.48 119.26 122.77 2ajr h ALA 262 Ca -0.12 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ajr h ALA 262 Cb 1.91 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.60 2ajr h ALA 262 CO 0.20 -0.22 -0.31 -0.92 0.00 0.00 0.00 179.25 178.00 2ajr h TYR 263 N 0.34 -0.84 -0.62 0.00 5.03 -1.12 -0.09 116.97 119.67 2ajr h TYR 263 Ca 0.16 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 2ajr h TYR 263 Cb 0.09 0.41 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 2ajr h TYR 263 CO -0.12 -0.37 0.20 0.28 -1.32 0.00 0.00 178.16 176.83 2ajr h VAL 264 N -0.30 1.24 -0.97 1.81 2.07 -1.15 -2.79 116.25 116.16 2ajr h VAL 264 Ca 0.14 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2ajr h VAL 264 Cb 0.52 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2ajr h VAL 264 CO -0.44 0.31 0.62 0.00 0.02 0.00 0.00 177.57 178.09 2ajr h ALA 265 N 1.07 1.24 0.00 1.67 0.00 -0.38 0.27 119.26 123.12 2ajr h ALA 265 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ajr h ALA 265 Cb 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ajr h ALA 265 CO -0.01 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2ajr n GLY 266 N -1.32 0.03 1.20 0.00 0.00 -0.09 -0.96 105.19 104.06 2ajr n GLY 266 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ajr n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ajr n VAL 268 N 0.58 0.00 -0.26 1.61 0.31 0.08 -0.93 118.33 119.71 2ajr n VAL 268 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2ajr n VAL 268 Cb 0.01 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.09 2ajr n VAL 268 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2ajr h TYR 269 N 0.00 0.72 -0.30 3.52 3.20 -1.31 -0.66 116.97 122.15 2ajr h TYR 269 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2ajr h TYR 269 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2ajr h TYR 269 CO 0.00 0.27 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.83 2ajr h TYR 270 N 0.67 0.62 0.19 -3.82 5.03 -1.29 -0.02 116.97 118.35 2ajr h TYR 270 Ca 0.37 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.57 2ajr h TYR 270 Cb 0.37 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 2ajr h TYR 270 CO -0.09 0.73 -0.31 0.35 -1.32 0.00 0.00 178.16 177.51 2ajr h PHE 271 N 0.33 -0.85 -0.40 -3.82 3.57 -1.62 0.26 116.94 114.41 2ajr h PHE 271 Ca 0.08 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2ajr h PHE 271 Cb 0.51 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2ajr h PHE 271 CO 0.05 -0.43 0.11 0.82 -2.23 0.00 0.00 178.31 176.62 2ajr h ILE 272 N -0.58 0.83 0.03 1.41 2.04 -1.00 -1.45 117.51 118.79 2ajr h ILE 272 Ca 0.01 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2ajr h ILE 272 Cb 0.58 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2ajr h ILE 272 CO -0.14 0.04 -0.50 0.11 0.00 0.00 0.00 178.15 177.66 2ajr h LYS 273 N 0.25 0.06 -0.12 2.37 1.79 -0.81 -3.40 116.57 116.71 2ajr h LYS 273 Ca 0.19 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2ajr h LYS 273 Cb 0.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2ajr h LYS 273 CO -0.23 1.05 0.00 0.72 -1.08 0.00 0.00 179.45 179.91 2ajr n HIS 274 N -4.45 0.29 -1.78 -1.35 8.25 0.91 -5.08 115.22 112.01 2ajr n HIS 274 Ca -0.17 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 2ajr n HIS 274 Cb 0.60 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2ajr n HIS 274 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ajr n GLY 275 N -0.64 -2.28 2.43 -1.41 0.00 -0.55 -4.60 105.19 98.14 2ajr n GLY 275 Ca 0.12 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 2ajr n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ajr n ALA 276 N -0.40 6.57 -2.68 4.61 0.00 -1.26 -4.10 120.51 123.24 2ajr n ALA 276 Ca 0.00 -3.19 -0.43 0.00 0.00 0.00 0.00 53.44 49.82 2ajr n ALA 276 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 2ajr n ALA 276 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ajr s ASN 277 N 0.58 6.30 0.00 0.00 3.84 -1.26 -4.96 114.94 119.44 2ajr s ASN 277 Ca 0.59 -0.54 -0.21 0.00 0.21 0.00 0.00 52.86 52.90 2ajr s ASN 277 Cb 0.32 -2.38 -0.19 0.00 -0.55 0.00 0.00 41.25 38.45 2ajr s ASN 277 CO -0.17 -1.08 1.19 -0.26 -2.79 0.00 0.00 177.10 173.99 2ajr h PHE 278 N 9.17 0.42 -0.16 0.43 0.04 -1.98 -3.16 116.94 121.70 2ajr h PHE 278 Ca -0.27 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.34 2ajr h PHE 278 Cb 1.08 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 2ajr h PHE 278 CO 0.84 0.91 0.05 1.25 -0.60 0.00 0.00 178.31 180.76 2ajr h LEU 279 N -0.18 0.06 -2.72 1.54 5.85 -1.99 0.26 115.31 118.13 2ajr h LEU 279 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ajr h LEU 279 Cb 0.93 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2ajr h LEU 279 CO 0.06 0.06 0.00 -0.62 -0.34 0.00 0.00 178.44 177.60 2ajr n GLU 280 N -5.05 0.12 0.00 1.25 -0.58 -1.19 -0.82 120.64 114.36 2ajr n GLU 280 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2ajr n GLU 280 Cb 0.06 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2ajr n GLU 280 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ajr n ALA 282 N 1.33 0.00 -0.19 0.62 0.00 0.08 -1.41 120.51 120.94 2ajr n ALA 282 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ajr n ALA 282 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.52 2ajr n ALA 282 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ajr h LYS 283 N 0.00 0.88 -0.37 0.00 1.57 -1.23 0.11 116.57 117.52 2ajr h LYS 283 Ca 0.00 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 2ajr h LYS 283 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2ajr h LYS 283 CO 0.00 0.85 -0.29 0.35 -0.57 0.00 0.00 179.45 179.78 2ajr h PHE 284 N 0.77 0.93 -0.51 -1.35 3.57 -1.49 -1.48 116.94 117.37 2ajr h PHE 284 Ca 0.16 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2ajr h PHE 284 Cb 0.39 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2ajr h PHE 284 CO 0.03 1.00 0.32 0.78 -2.23 0.00 0.00 178.31 178.20 2ajr h GLY 285 N 0.93 0.72 1.01 2.40 0.00 -1.69 -2.02 103.07 104.42 2ajr h GLY 285 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ajr h GLY 285 CO 0.07 0.21 0.24 -2.75 0.00 0.00 0.00 176.54 174.32 2ajr h PHE 286 N 0.63 0.99 -0.55 5.60 3.04 -0.55 -1.35 116.94 124.76 2ajr h PHE 286 Ca 0.20 -0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.14 2ajr h PHE 286 Cb -0.01 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 38.15 2ajr h PHE 286 CO -0.06 0.79 0.24 0.00 -2.02 0.00 0.00 178.31 177.26 2ajr h ALA 287 N 1.10 0.70 -0.24 2.41 0.00 -0.96 -1.06 119.26 121.20 2ajr h ALA 287 Ca 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2ajr h ALA 287 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ajr h ALA 287 CO -0.01 -0.14 0.09 0.77 0.00 0.00 0.00 179.25 179.96 2ajr h SER 288 N 0.45 0.34 -0.50 0.00 0.02 -0.73 -1.17 113.55 111.96 2ajr h SER 288 Ca 0.26 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 2ajr h SER 288 Cb 0.24 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 2ajr h SER 288 CO -0.22 0.42 0.04 0.00 -1.14 0.00 0.00 176.83 175.93 2ajr h ALA 289 N 0.93 0.51 -0.66 3.77 0.00 -0.92 0.27 119.26 123.16 2ajr h ALA 289 Ca 0.08 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2ajr h ALA 289 Cb 0.19 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2ajr h ALA 289 CO -0.01 -0.36 0.44 -0.07 0.00 0.00 0.00 179.25 179.25 2ajr h LEU 290 N 0.16 0.75 -0.79 0.00 3.38 -0.89 -2.06 115.31 115.86 2ajr h LEU 290 Ca 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2ajr h LEU 290 Cb 0.37 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2ajr h LEU 290 CO -0.38 0.54 0.47 0.00 0.09 0.00 0.00 178.44 179.16 2ajr h ALA 291 N 1.25 1.01 -0.54 1.53 0.00 0.26 -1.92 119.26 120.85 2ajr h ALA 291 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2ajr h ALA 291 Cb -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2ajr h ALA 291 CO -0.06 0.48 0.36 0.00 0.00 0.00 0.00 179.25 180.03 2ajr h ALA 292 N 1.25 1.82 0.00 0.00 0.00 0.14 -1.36 119.26 121.10 2ajr h ALA 292 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2ajr h ALA 292 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ajr h ALA 292 CO -0.05 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.55 2ajr n THR 293 N -4.47 0.51 0.60 0.00 -2.24 -0.73 -3.59 114.28 104.37 2ajr n THR 293 Ca 0.07 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 2ajr n THR 293 Cb 0.20 -0.76 0.35 0.00 -2.10 0.00 0.00 70.33 68.02 2ajr n THR 293 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ajr n ARG 294 N -1.70 0.10 -4.36 -0.78 5.12 -0.51 -4.67 116.66 109.86 2ajr n ARG 294 Ca 0.05 0.20 -0.22 0.00 -1.93 0.00 0.00 57.85 55.95 2ajr n ARG 294 Cb 0.28 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.95 2ajr n ARG 294 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2ajr s ARG 295 N -2.81 1.09 0.43 5.56 0.52 -1.24 -5.04 118.95 117.46 2ajr s ARG 295 Ca 0.10 -0.99 0.14 0.00 -0.52 0.00 0.00 55.73 54.46 2ajr s ARG 295 Cb 0.10 -1.22 0.92 0.00 0.52 0.00 0.00 34.95 35.27 2ajr s ARG 295 CO 0.25 0.29 1.94 1.57 0.02 0.00 0.00 175.30 179.38 2ajr h LYS 296 N 4.47 0.00 -7.12 3.54 2.10 -1.88 -3.44 116.57 114.24 2ajr h LYS 296 Ca -0.43 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 57.73 2ajr h LYS 296 Cb 1.18 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2ajr h LYS 296 CO 0.41 0.24 0.29 -1.21 -2.00 0.00 0.00 179.45 177.18 2ajr s GLU 297 N -4.51 3.75 -0.21 0.07 8.01 -1.26 -4.76 118.70 119.79 2ajr s GLU 297 Ca -0.04 0.67 -0.34 0.00 0.01 0.00 0.00 54.97 55.27 2ajr s GLU 297 Cb 0.15 -2.22 -0.11 0.00 -4.31 0.00 0.00 34.13 27.65 2ajr s GLU 297 CO 0.71 -0.29 2.02 1.17 0.01 0.00 0.00 175.26 178.87 2ajr n LYS 298 N -1.95 1.71 -1.64 1.61 4.81 -1.26 -4.94 118.16 116.50 2ajr n LYS 298 Ca 0.05 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2ajr n LYS 298 Cb 0.54 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.97 2ajr n LYS 298 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2ajr n TYR 299 N 8.28 0.00 -4.08 5.64 9.36 -1.26 -5.13 117.16 129.96 2ajr n TYR 299 Ca 0.30 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.43 2ajr n TYR 299 Cb 0.28 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.89 2ajr n TYR 299 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2ajr s PRO 301 N -1.46 0.58 0.55 2.98 0.04 -1.26 -4.46 135.00 131.97 2ajr s PRO 301 Ca 0.00 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 59.97 2ajr s PRO 301 Cb 0.00 0.07 0.03 0.00 0.04 0.00 0.00 34.50 34.64 2ajr s PRO 301 CO 0.00 -0.07 0.78 0.16 0.04 0.00 0.00 177.00 177.91 2ajr s ASP 302 N -2.51 5.34 0.28 6.66 1.47 -1.26 -4.75 116.67 121.90 2ajr s ASP 302 Ca 0.01 0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.85 2ajr s ASP 302 Cb 0.02 -1.03 0.51 0.00 -0.34 0.00 0.00 42.92 42.09 2ajr s ASP 302 CO -0.06 -1.10 1.86 0.25 0.68 0.00 0.00 175.17 176.79 2ajr h LEU 303 N 0.06 0.96 -0.33 2.11 5.85 -1.97 -0.38 115.31 121.61 2ajr h LEU 303 Ca -0.43 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.36 2ajr h LEU 303 Cb 1.29 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2ajr h LEU 303 CO 0.54 0.55 0.12 -0.08 -0.34 0.00 0.00 178.44 179.23 2ajr h GLU 304 N 1.05 0.26 0.00 1.25 4.81 -1.98 -1.38 114.58 118.59 2ajr h GLU 304 Ca 0.47 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 2ajr h GLU 304 Cb 0.38 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2ajr h GLU 304 CO -0.23 0.17 -0.34 0.00 -0.73 0.00 0.00 179.01 177.88 2ajr h ALA 305 N 1.21 1.12 0.03 2.92 0.00 -1.51 -2.84 119.26 120.19 2ajr h ALA 305 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ajr h ALA 305 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ajr h ALA 305 CO -0.15 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.33 2ajr h ILE 306 N 0.00 1.42 -0.53 0.00 2.04 -0.91 -3.30 117.51 116.23 2ajr h ILE 306 Ca -0.00 -1.61 0.08 0.00 1.00 0.00 0.00 64.86 64.33 2ajr h ILE 306 Cb 0.76 2.47 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2ajr h ILE 306 CO 0.04 0.40 0.36 0.11 0.00 0.00 0.00 178.15 179.06 2ajr h LYS 307 N -0.76 0.35 0.00 2.37 1.57 -1.21 -1.43 116.57 117.46 2ajr h LYS 307 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ajr h LYS 307 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2ajr h LYS 307 CO 0.01 0.23 0.05 0.87 -0.57 0.00 0.00 179.45 180.04 2ajr h LYS 308 N 0.37 0.00 -0.01 3.15 1.57 -1.58 -2.27 116.57 117.80 2ajr h LYS 308 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2ajr h LYS 308 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2ajr h LYS 308 CO -0.06 0.00 -0.32 0.39 -0.57 0.00 0.00 179.45 178.89 2ajr n GLU 309 N -3.04 0.97 0.33 3.15 -0.58 -0.54 -4.11 120.64 116.82 2ajr n GLU 309 Ca -0.03 -0.65 0.22 0.00 -0.42 0.00 0.00 57.16 56.27 2ajr n GLU 309 Cb 0.12 -1.49 1.11 0.00 -0.57 0.00 0.00 31.44 30.61 2ajr n GLU 309 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2ajr h TYR 310 N 1.60 0.00 0.00 -0.32 -1.99 -1.53 -1.44 116.97 113.30 2ajr h TYR 310 Ca 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 2ajr h TYR 310 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2ajr h TYR 310 CO 0.00 0.00 -0.30 0.22 -0.00 0.00 0.00 178.16 178.08 2ajr h ASP 311 N 0.00 0.00 -0.47 3.88 1.82 -1.81 -3.38 116.42 116.47 2ajr h ASP 311 Ca -0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.43 2ajr h ASP 311 Cb 0.11 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 39.99 2ajr h ASP 311 CO 0.00 0.30 0.08 1.41 -1.61 0.00 0.00 179.24 179.42 2ajr n HIS 312 N -3.31 1.48 -3.73 0.28 8.25 -0.54 -4.95 115.22 112.70 2ajr n HIS 312 Ca 0.01 -1.49 -0.11 0.00 -0.26 0.00 0.00 57.72 55.88 2ajr n HIS 312 Cb 0.54 -0.55 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2ajr n HIS 312 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2ajr s PHE 313 N -3.17 -0.10 0.23 4.41 -0.12 -1.26 -1.31 117.98 116.67 2ajr s PHE 313 Ca 0.47 -0.12 0.10 0.00 -0.05 0.00 0.00 56.93 57.33 2ajr s PHE 313 Cb 0.41 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 2ajr s PHE 313 CO 0.04 -0.56 -0.10 0.95 -0.05 0.00 0.00 175.22 175.50 2ajr s THR 314 N -3.07 3.07 -0.11 -4.49 -4.23 -0.30 -4.88 115.64 101.63 2ajr s THR 314 Ca -0.01 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2ajr s THR 314 Cb 0.01 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2ajr s THR 314 CO -0.07 -0.26 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.83 2ajr s VAL 315 N -2.08 2.03 0.15 2.29 1.01 -1.26 -1.35 120.40 121.18 2ajr s VAL 315 Ca 0.28 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2ajr s VAL 315 Cb -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2ajr s VAL 315 CO 0.16 0.55 -0.15 -1.61 0.00 0.00 0.00 175.10 174.05 2ajr s GLU 316 N 0.47 1.87 -0.23 2.72 2.02 0.05 -4.96 118.70 120.63 2ajr s GLU 316 Ca -0.16 -1.26 -0.15 0.00 0.02 0.00 0.00 54.97 53.43 2ajr s GLU 316 Cb -0.17 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2ajr s GLU 316 CO 0.06 0.45 0.35 0.50 0.02 0.00 0.00 175.26 176.64 2ajr s ARG 317 N -2.50 4.10 -0.17 1.61 3.52 -1.26 -0.67 118.95 123.58 2ajr s ARG 317 Ca 0.21 0.07 -0.22 0.00 -0.13 0.00 0.00 55.73 55.66 2ajr s ARG 317 Cb -0.09 -3.58 -0.22 0.00 -1.56 0.00 0.00 34.95 29.49 2ajr s ARG 317 CO 0.12 -0.11 0.40 0.28 -0.81 0.00 0.00 175.30 175.18 2ajr h VAL 318 N 5.16 1.11 0.00 7.11 2.07 -0.85 -3.48 116.25 127.37 2ajr h VAL 318 Ca -0.35 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2ajr h VAL 318 Cb 1.16 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2ajr h VAL 318 CO 0.68 0.46 0.00 0.29 0.02 0.00 0.00 177.57 179.02