#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axj s LEU 2 N 0.00 3.16 0.83 4.03 1.43 -1.26 -5.01 118.68 121.86 1axj s LEU 2 Ca 0.00 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1axj s LEU 2 Cb 0.00 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.76 1axj s LEU 2 CO 0.00 -2.15 1.09 -2.16 0.23 0.00 0.00 176.35 173.37 1axj s PRO 3 N -4.43 1.79 0.21 1.29 0.04 -1.26 -4.95 135.00 127.69 1axj s PRO 3 Ca 0.66 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1axj s PRO 3 Cb -0.21 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.63 1axj s PRO 3 CO 0.50 -1.94 1.87 0.78 0.04 0.00 0.00 177.00 178.25 1axj h GLY 4 N -1.34 1.05 0.45 0.56 0.00 -2.01 -2.72 103.07 99.06 1axj h GLY 4 Ca -0.46 -0.40 0.11 0.00 0.00 0.00 0.00 47.33 46.58 1axj h GLY 4 CO 0.52 0.39 0.49 -0.84 0.00 0.00 0.00 176.54 177.10 1axj h THR 5 N 1.01 0.87 -0.24 4.70 2.02 -1.98 -0.16 112.91 119.12 1axj h THR 5 Ca 0.27 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1axj h THR 5 Cb -0.10 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.26 1axj h THR 5 CO -0.06 0.14 -0.25 0.15 0.37 0.00 0.00 175.52 175.87 1axj h PHE 6 N 0.78 -0.67 -0.14 3.16 3.57 -1.85 -0.56 116.94 121.23 1axj h PHE 6 Ca 0.43 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1axj h PHE 6 Cb 0.45 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1axj h PHE 6 CO -0.06 -0.33 0.08 0.74 -2.23 0.00 0.00 178.31 176.51 1axj h PHE 7 N -0.26 0.18 -0.86 0.41 0.04 -1.21 -1.37 116.94 113.87 1axj h PHE 7 Ca 0.13 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.01 1axj h PHE 7 Cb 0.47 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.50 1axj h PHE 7 CO -0.40 0.17 0.56 0.93 -0.60 0.00 0.00 178.31 178.97 1axj h GLU 8 N 0.14 0.78 -0.25 1.51 4.39 -0.79 -0.69 114.58 119.67 1axj h GLU 8 Ca 0.05 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1axj h GLU 8 Cb 0.05 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1axj h GLU 8 CO -0.01 0.52 -0.19 0.28 -1.16 0.00 0.00 179.01 178.45 1axj h VAL 9 N 0.81 1.31 -0.79 3.13 2.07 -0.85 -3.21 116.25 118.72 1axj h VAL 9 Ca 0.40 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1axj h VAL 9 Cb 0.47 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1axj h VAL 9 CO -0.17 0.41 0.48 -0.07 0.02 0.00 0.00 177.57 178.24 1axj h LEU 10 N 0.29 0.76 -1.50 2.57 3.38 -0.23 -1.18 115.31 119.42 1axj h LEU 10 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1axj h LEU 10 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1axj h LEU 10 CO 0.05 0.50 0.39 0.11 0.09 0.00 0.00 178.44 179.57 1axj h LYS 11 N 0.90 0.00 -6.27 1.13 1.57 -1.17 -3.43 116.57 109.30 1axj h LYS 11 Ca 0.34 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.52 1axj h LYS 11 Cb 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.31 1axj h LYS 11 CO -0.16 0.00 -0.73 -0.80 -0.57 0.00 0.00 179.45 177.19 1axj s ASN 12 N -4.01 3.92 0.44 0.86 0.01 -0.44 -5.12 114.94 110.59 1axj s ASN 12 Ca -0.02 -0.86 -0.23 0.00 -0.71 0.00 0.00 52.86 51.04 1axj s ASN 12 Cb 0.06 -0.49 -0.08 0.00 0.41 0.00 0.00 41.25 41.15 1axj s ASN 12 CO 0.20 0.04 1.07 -0.70 -1.51 0.00 0.00 177.10 176.20 1axj s GLU 13 N -3.42 3.98 0.04 -0.60 2.12 -1.26 -4.76 118.70 114.81 1axj s GLU 13 Ca 0.29 1.52 -0.28 0.00 0.36 0.00 0.00 54.97 56.86 1axj s GLU 13 Cb -0.06 -2.39 0.09 0.00 0.26 0.00 0.00 34.13 32.04 1axj s GLU 13 CO 0.16 -0.30 1.07 0.20 -0.54 0.00 0.00 175.26 175.84 1axj s GLY 14 N -1.64 -0.33 0.38 -1.50 0.00 -1.25 -1.07 107.32 101.91 1axj s GLY 14 Ca 0.62 0.59 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 1axj s GLY 14 CO 0.27 0.15 0.83 0.14 0.00 0.00 0.00 173.10 174.49 1axj s VAL 15 N -2.92 4.58 0.06 1.40 1.01 -1.26 -1.25 120.40 122.03 1axj s VAL 15 Ca 0.11 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 1axj s VAL 15 Cb 0.01 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1axj s VAL 15 CO -0.02 -0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.03 1axj s VAL 16 N -2.15 0.34 0.05 2.92 1.01 0.68 -2.45 120.40 120.79 1axj s VAL 16 Ca 0.57 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 1axj s VAL 16 Cb -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1axj s VAL 16 CO 0.19 -0.96 0.05 0.00 0.00 0.00 0.00 175.10 174.38 1axj s ALA 17 N -3.82 0.14 -0.19 5.51 0.00 0.57 -1.25 121.76 122.72 1axj s ALA 17 Ca 0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1axj s ALA 17 Cb 0.07 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.54 1axj s ALA 17 CO -0.09 -0.35 0.08 0.42 0.00 0.00 0.00 175.76 175.83 1axj s ILE 18 N -3.17 0.06 -0.48 0.00 -1.09 -0.18 -0.55 121.20 115.80 1axj s ILE 18 Ca -0.00 -0.35 -0.23 0.00 -2.23 0.00 0.00 60.65 57.84 1axj s ILE 18 Cb 0.02 -0.75 0.03 0.00 -1.58 0.00 0.00 42.46 40.19 1axj s ILE 18 CO -0.07 -0.34 0.79 0.00 -1.23 0.00 0.00 174.94 174.09 1axj s ALA 19 N 2.06 3.27 -0.43 9.38 0.00 0.85 -0.55 121.76 136.35 1axj s ALA 19 Ca 0.03 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 1axj s ALA 19 Cb -0.16 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1axj s ALA 19 CO -0.13 -2.04 0.46 0.99 0.00 0.00 0.00 175.76 175.05 1axj s THR 20 N 3.33 5.06 0.30 0.00 2.01 -0.52 -1.22 115.64 124.60 1axj s THR 20 Ca 0.27 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 1axj s THR 20 Cb -0.13 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1axj s THR 20 CO 0.20 -0.47 1.09 -1.58 -0.69 0.00 0.00 174.62 173.17 1axj s GLN 21 N 2.19 4.54 0.00 4.92 2.00 -0.43 -1.21 119.66 131.68 1axj s GLN 21 Ca 0.13 1.76 0.00 0.00 -2.00 0.00 0.00 55.36 55.25 1axj s GLN 21 Cb -0.17 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.57 1axj s GLN 21 CO 0.13 0.13 0.00 0.41 -0.50 0.00 0.00 175.29 175.47 1axj n GLY 22 N 1.04 0.14 1.51 2.59 0.00 -1.26 -4.23 105.19 104.98 1axj n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1axj n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1axj n GLU 23 N -0.81 0.00 -1.03 1.61 2.13 -1.26 -4.31 120.64 116.98 1axj n GLU 23 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1axj n GLU 23 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1axj n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1axj n ASP 24 N -3.07 5.94 -0.04 4.31 5.75 -1.26 -4.79 116.55 123.39 1axj n ASP 24 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1axj n ASP 24 Cb 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 38.71 1axj n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1axj n GLY 25 N 2.87 -3.00 3.77 6.12 0.00 -1.26 -4.97 105.19 108.72 1axj n GLY 25 Ca 0.51 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1axj n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1axj s PRO 26 N -5.67 2.40 -0.32 1.61 0.04 -1.26 -4.32 135.00 127.47 1axj s PRO 26 Ca 0.00 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1axj s PRO 26 Cb 0.00 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.72 1axj s PRO 26 CO 0.00 -1.54 0.02 -1.58 0.04 0.00 0.00 177.00 173.94 1axj s HIS 27 N -2.78 3.56 -1.01 0.56 2.46 -0.35 -4.90 115.29 112.83 1axj s HIS 27 Ca 0.62 -2.81 -0.20 0.00 0.47 0.00 0.00 55.06 53.14 1axj s HIS 27 Cb -0.18 -2.68 0.10 0.00 -0.13 0.00 0.00 32.58 29.68 1axj s HIS 27 CO 0.53 -0.93 1.33 -1.17 -2.47 0.00 0.00 174.74 172.02 1axj s LEU 28 N 0.98 4.31 0.86 8.88 0.20 -1.26 -1.44 118.68 131.21 1axj s LEU 28 Ca 0.07 -1.89 -0.11 0.00 0.69 0.00 0.00 54.13 52.89 1axj s LEU 28 Cb -0.19 -2.48 0.15 0.00 -0.43 0.00 0.00 46.19 43.23 1axj s LEU 28 CO -0.08 -1.24 1.20 0.68 -0.29 0.00 0.00 176.35 176.62 1axj s VAL 29 N 3.69 2.06 0.37 1.68 -7.23 0.29 -4.81 120.40 116.44 1axj s VAL 29 Ca 0.41 -0.14 0.09 0.00 -1.81 0.00 0.00 61.98 60.52 1axj s VAL 29 Cb -0.02 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 1axj s VAL 29 CO -0.08 0.00 -0.03 0.20 -0.31 0.00 0.00 175.10 174.88 1axj s ASN 30 N -4.76 3.91 0.16 4.85 0.02 -1.26 -1.01 114.94 116.84 1axj s ASN 30 Ca 0.69 -1.20 -0.23 0.00 -1.02 0.00 0.00 52.86 51.09 1axj s ASN 30 Cb -0.06 -0.41 0.08 0.00 0.02 0.00 0.00 41.25 40.88 1axj s ASN 30 CO 0.50 -0.30 1.03 0.28 0.02 0.00 0.00 177.10 178.63 1axj s THR 31 N -2.62 0.00 0.00 1.60 -1.32 -0.38 -4.87 115.64 108.05 1axj s THR 31 Ca 0.34 -0.59 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 1axj s THR 31 Cb 0.04 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 1axj s THR 31 CO 0.18 0.00 -0.24 0.26 -2.21 0.00 0.00 174.62 172.61 1axj s TRP 32 N -2.50 2.16 0.51 9.09 0.52 -1.26 -0.23 118.94 127.23 1axj s TRP 32 Ca 0.19 -0.41 0.24 0.00 0.02 0.00 0.00 56.10 56.15 1axj s TRP 32 Cb -0.02 -1.36 1.34 0.00 -1.15 0.00 0.00 33.47 32.28 1axj s TRP 32 CO 0.04 0.01 1.96 -0.91 0.02 0.00 0.00 176.95 178.07 1axj h ASN 33 N 5.29 0.08 0.00 2.95 2.35 -1.49 -0.60 115.58 124.17 1axj h ASN 33 Ca -0.43 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1axj h ASN 33 Cb 1.13 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1axj h ASN 33 CO 0.46 0.04 0.04 -0.24 -1.65 0.00 0.00 177.43 176.08 1axj n SER 34 N -4.38 0.43 -0.03 5.81 2.88 -1.26 -1.58 113.62 115.48 1axj n SER 34 Ca 0.12 0.68 0.01 0.00 -1.33 0.00 0.00 58.87 58.35 1axj n SER 34 Cb 0.65 -0.73 -0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1axj n SER 34 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1axj n TYR 35 N -2.09 0.00 -2.91 0.66 4.01 -0.24 -5.08 117.16 111.52 1axj n TYR 35 Ca -0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1axj n TYR 35 Cb 0.07 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1axj n TYR 35 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1axj s LEU 36 N -1.03 3.56 -0.01 7.72 1.43 -0.62 -4.34 118.68 125.39 1axj s LEU 36 Ca 0.01 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1axj s LEU 36 Cb 0.01 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1axj s LEU 36 CO 0.03 -0.80 -0.05 -1.59 0.23 0.00 0.00 176.35 174.17 1axj s LYS 37 N -4.60 0.44 0.08 1.70 -2.85 -0.74 -5.01 119.74 108.77 1axj s LYS 37 Ca 0.50 -0.16 0.01 0.00 -1.00 0.00 0.00 55.97 55.32 1axj s LYS 37 Cb -0.10 -0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 1axj s LYS 37 CO 0.38 0.08 0.18 0.08 0.10 0.00 0.00 175.35 176.17 1axj s VAL 38 N 0.03 5.12 0.50 1.79 1.01 -1.26 -0.55 120.40 127.03 1axj s VAL 38 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1axj s VAL 38 Cb -0.04 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1axj s VAL 38 CO -0.00 0.10 0.03 -0.76 0.00 0.00 0.00 175.10 174.47 1axj s LEU 39 N -2.58 2.20 0.00 3.92 1.43 0.67 -4.96 118.68 119.36 1axj s LEU 39 Ca 0.33 -1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 1axj s LEU 39 Cb -0.12 -0.59 0.24 0.00 0.03 0.00 0.00 46.19 45.75 1axj s LEU 39 CO 0.26 -0.90 1.14 -0.67 0.23 0.00 0.00 176.35 176.42 1axj n ASP 40 N -1.31 -0.73 -2.49 2.29 2.03 -1.26 -3.78 116.55 111.30 1axj n ASP 40 Ca -0.17 -1.32 -0.21 0.00 0.52 0.00 0.00 54.79 53.61 1axj n ASP 40 Cb 0.67 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1axj n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1axj n GLY 41 N -3.50 -0.48 2.53 0.27 0.00 -1.26 -1.66 105.19 101.10 1axj n GLY 41 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1axj n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1axj n ASN 42 N -2.04 -4.12 -4.77 1.61 0.23 -1.26 -4.82 115.26 100.09 1axj n ASN 42 Ca -0.21 0.11 -0.38 0.00 -0.53 0.00 0.00 54.58 53.57 1axj n ASN 42 Cb 0.67 -2.90 -0.04 0.00 -2.08 0.00 0.00 39.78 35.43 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1axj s ARG 43 N -1.96 4.31 0.22 -3.83 3.52 -0.67 -4.19 118.95 116.36 1axj s ARG 43 Ca 0.00 1.71 0.05 0.00 -0.13 0.00 0.00 55.73 57.36 1axj s ARG 43 Cb 0.00 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1axj s ARG 43 CO 0.00 -0.06 -0.06 0.42 -0.81 0.00 0.00 175.30 174.79 1axj s ILE 44 N -1.41 1.31 -0.03 4.11 1.01 -0.09 -0.24 121.20 125.87 1axj s ILE 44 Ca 0.53 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 1axj s ILE 44 Cb -0.28 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 39.99 1axj s ILE 44 CO 0.36 -0.46 0.10 -0.69 0.00 0.00 0.00 174.94 174.25 1axj s VAL 45 N -3.24 0.01 -0.12 2.92 1.01 0.28 -0.50 120.40 120.76 1axj s VAL 45 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1axj s VAL 45 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1axj s VAL 45 CO 0.07 -0.04 -0.21 -0.69 0.00 0.00 0.00 175.10 174.23 1axj s VAL 46 N -0.08 2.24 -0.42 2.92 1.01 -0.07 -1.79 120.40 124.22 1axj s VAL 46 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1axj s VAL 46 Cb -0.01 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1axj s VAL 46 CO 0.00 0.55 1.60 -2.16 0.00 0.00 0.00 175.10 175.09 1axj s PRO 47 N 0.56 3.35 -0.42 2.72 0.04 -1.26 -0.85 135.00 139.13 1axj s PRO 47 Ca -0.12 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1axj s PRO 47 Cb -0.17 -4.14 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1axj s PRO 47 CO 0.04 -1.84 0.89 0.54 0.04 0.00 0.00 177.00 176.66 1axj s VAL 48 N 6.43 4.56 -0.02 -0.36 0.11 -0.54 -4.86 120.40 125.72 1axj s VAL 48 Ca 0.68 0.82 0.08 0.00 -2.93 0.00 0.00 61.98 60.63 1axj s VAL 48 Cb -0.16 -4.36 -0.12 0.00 -1.53 0.00 0.00 36.38 30.20 1axj s VAL 48 CO 0.31 -0.70 0.15 0.61 -3.33 0.00 0.00 175.10 172.15 1axj n GLY 49 N 4.76 -0.37 2.49 6.54 0.00 -1.26 -0.18 105.19 117.17 1axj n GLY 49 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1axj n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axj n GLY 50 N 2.12 1.40 2.86 -0.02 0.00 -1.26 -4.60 105.19 105.70 1axj n GLY 50 Ca -0.03 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1axj n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1axj n MET 51 N -1.16 3.74 0.13 1.61 2.00 -1.26 -4.96 117.12 117.21 1axj n MET 51 Ca -0.14 -4.58 -0.06 0.00 0.00 0.00 0.00 57.70 52.93 1axj n MET 51 Cb 0.81 -2.43 -0.03 0.00 0.00 0.00 0.00 33.22 31.57 1axj n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1axj h HIS 52 N 5.18 -0.34 -0.95 2.03 3.86 -1.98 -0.07 115.15 122.88 1axj h HIS 52 Ca 0.20 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.57 1axj h HIS 52 Cb 0.65 0.11 -0.10 0.00 1.06 0.00 0.00 27.41 29.14 1axj h HIS 52 CO 0.89 -0.21 0.55 -0.22 0.86 0.00 0.00 177.93 179.81 1axj h LYS 53 N -0.52 0.72 -0.86 2.45 3.64 -1.99 -0.60 116.57 119.40 1axj h LYS 53 Ca -0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1axj h LYS 53 Cb 0.28 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1axj h LYS 53 CO 0.06 0.48 0.51 1.15 -2.27 0.00 0.00 179.45 179.38 1axj h THR 54 N 0.74 1.24 -0.23 1.00 2.02 -1.92 0.25 112.91 116.01 1axj h THR 54 Ca 0.53 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1axj h THR 54 Cb 0.78 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1axj h THR 54 CO -0.37 0.25 0.09 -0.08 0.37 0.00 0.00 175.52 175.79 1axj h GLU 55 N 1.19 0.20 -0.63 6.66 4.81 0.52 0.51 114.58 127.84 1axj h GLU 55 Ca 0.31 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1axj h GLU 55 Cb -0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1axj h GLU 55 CO -0.06 0.13 0.33 0.00 -0.73 0.00 0.00 179.01 178.68 1axj h ALA 56 N 1.13 0.82 -0.66 2.92 0.00 -1.01 -1.67 119.26 120.79 1axj h ALA 56 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1axj h ALA 56 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1axj h ALA 56 CO -0.09 0.36 0.25 -0.91 0.00 0.00 0.00 179.25 178.86 1axj h ASN 57 N 0.87 0.93 -0.14 0.00 4.21 -0.02 0.86 115.58 122.28 1axj h ASN 57 Ca 0.22 -0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1axj h ASN 57 Cb 0.08 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.03 1axj h ASN 57 CO -0.03 0.86 0.04 0.58 -1.29 0.00 0.00 177.43 177.59 1axj h VAL 58 N 0.94 1.17 -0.19 2.81 2.07 -0.81 0.14 116.25 122.38 1axj h VAL 58 Ca 0.22 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1axj h VAL 58 Cb 0.23 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1axj h VAL 58 CO -0.02 0.16 0.25 0.00 0.02 0.00 0.00 177.57 177.99 1axj h ALA 59 N 0.86 1.76 0.15 1.67 0.00 -0.83 -2.85 119.26 120.02 1axj h ALA 59 Ca 0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1axj h ALA 59 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1axj h ALA 59 CO -0.00 -0.35 -1.47 0.00 0.00 0.00 0.00 179.25 177.43 1axj h ARG 60 N 0.00 0.31 -2.78 0.00 2.47 0.24 -3.49 114.38 111.13 1axj h ARG 60 Ca 0.09 -0.53 -0.13 0.00 -1.26 0.00 0.00 59.98 58.16 1axj h ARG 60 Cb 0.59 0.20 -0.24 0.00 -1.65 0.00 0.00 29.97 28.87 1axj h ARG 60 CO -0.00 1.25 -0.26 0.34 0.56 0.00 0.00 179.97 181.86 1axj s ASP 61 N -7.13 -0.41 0.40 7.04 -1.08 0.37 -4.95 116.67 110.90 1axj s ASP 61 Ca -0.18 0.80 0.27 0.00 -0.52 0.00 0.00 52.55 52.92 1axj s ASP 61 Cb 0.04 0.80 0.87 0.00 -1.46 0.00 0.00 42.92 43.17 1axj s ASP 61 CO 0.81 -0.14 1.78 1.05 0.52 0.00 0.00 175.17 179.18 1axj h GLU 62 N 5.60 0.00 -6.34 4.34 -0.00 -1.84 -3.35 114.58 113.00 1axj h GLU 62 Ca -0.27 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.55 1axj h GLU 62 Cb 1.18 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.95 1axj h GLU 62 CO 0.26 0.00 1.23 1.03 -0.00 0.00 0.00 179.01 181.53 1axj s ARG 63 N -3.35 4.12 0.01 1.06 1.81 -1.26 -0.96 118.95 120.38 1axj s ARG 63 Ca 0.05 2.56 0.00 0.00 -1.72 0.00 0.00 55.73 56.63 1axj s ARG 63 Cb 0.08 -4.15 -0.01 0.00 -0.45 0.00 0.00 34.95 30.42 1axj s ARG 63 CO 0.57 -0.97 -0.03 0.14 -0.68 0.00 0.00 175.30 174.32 1axj s VAL 64 N 4.52 0.15 0.09 3.52 -7.23 -0.70 -1.31 120.40 119.44 1axj s VAL 64 Ca 0.87 -0.60 0.06 0.00 -1.81 0.00 0.00 61.98 60.50 1axj s VAL 64 Cb -0.42 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1axj s VAL 64 CO 0.40 -0.29 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.61 1axj s LEU 65 N -0.93 3.16 -0.01 1.32 0.20 -0.36 -0.90 118.68 121.16 1axj s LEU 65 Ca -0.09 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 1axj s LEU 65 Cb -0.06 -1.92 0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1axj s LEU 65 CO -0.00 0.19 0.04 -0.32 -0.29 0.00 0.00 176.35 175.96 1axj s MET 66 N -2.13 0.08 -0.09 1.98 -2.45 0.17 -0.11 119.30 116.75 1axj s MET 66 Ca 0.22 -0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 1axj s MET 66 Cb -0.11 0.04 0.01 0.00 1.25 0.00 0.00 34.83 36.01 1axj s MET 66 CO 0.14 -0.01 -0.16 0.95 1.05 0.00 0.00 175.02 176.99 1axj s THR 67 N -0.14 1.48 0.45 10.11 -4.23 0.29 -0.02 115.64 123.59 1axj s THR 67 Ca -0.02 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1axj s THR 67 Cb -0.01 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1axj s THR 67 CO 0.00 0.43 0.10 -1.48 -0.54 0.00 0.00 174.62 173.13 1axj s LEU 68 N 0.73 2.75 0.00 4.79 2.34 -0.62 -0.32 118.68 128.36 1axj s LEU 68 Ca -0.12 -1.36 -0.03 0.00 0.06 0.00 0.00 54.13 52.68 1axj s LEU 68 Cb -0.16 -1.03 0.01 0.00 -0.56 0.00 0.00 46.19 44.45 1axj s LEU 68 CO 0.03 -0.67 0.13 0.61 -1.06 0.00 0.00 176.35 175.40 1axj n GLY 69 N -1.22 1.18 3.19 -3.48 0.00 -1.02 -1.45 105.19 102.39 1axj n GLY 69 Ca -0.08 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1axj n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1axj s SER 70 N -1.32 0.08 0.00 1.61 0.15 -0.00 -3.85 113.70 110.37 1axj s SER 70 Ca 0.03 -0.51 0.22 0.00 0.70 0.00 0.00 55.95 56.39 1axj s SER 70 Cb -0.00 0.31 -0.25 0.00 -1.71 0.00 0.00 66.02 64.37 1axj s SER 70 CO 0.01 -0.64 0.67 0.54 1.20 0.00 0.00 173.24 175.01 1axj n ARG 71 N 0.31 0.48 0.00 5.44 1.74 -0.23 -3.06 116.66 121.35 1axj n ARG 71 Ca -0.17 -0.11 0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1axj n ARG 71 Cb 0.61 -1.55 0.32 0.00 -1.02 0.00 0.00 32.46 30.82 1axj n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1axj n LYS 72 N -2.11 1.00 -4.53 5.56 5.02 -1.26 -4.70 118.16 117.14 1axj n LYS 72 Ca -0.01 -0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 55.39 1axj n LYS 72 Cb 0.51 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1axj s VAL 73 N -2.44 1.05 0.04 -0.18 1.01 -1.26 -5.03 120.40 113.60 1axj s VAL 73 Ca 0.25 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1axj s VAL 73 Cb 0.19 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1axj s VAL 73 CO 0.51 0.34 1.01 0.00 0.00 0.00 0.00 175.10 176.95 1axj s ALA 74 N 0.67 3.22 0.00 5.51 0.00 -1.26 -0.58 121.76 129.32 1axj s ALA 74 Ca -0.14 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1axj s ALA 74 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1axj s ALA 74 CO 0.03 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1axj n GLY 75 N 2.74 5.11 0.06 0.00 0.00 -1.17 -4.53 105.19 107.38 1axj n GLY 75 Ca 0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1axj n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1axj h ARG 76 N 0.00 0.00 -6.26 1.61 3.08 -1.74 -3.43 114.38 107.65 1axj h ARG 76 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1axj h ARG 76 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 1axj h ARG 76 CO 0.00 0.10 0.90 0.54 -1.07 0.00 0.00 179.97 180.44 1axj s ASN 77 N -5.66 6.29 0.81 7.04 6.03 -1.26 -4.91 114.94 123.27 1axj s ASN 77 Ca -0.05 -0.31 0.00 0.00 -1.03 0.00 0.00 52.86 51.48 1axj s ASN 77 Cb 0.00 -2.52 0.00 0.00 -3.03 0.00 0.00 41.25 35.70 1axj s ASN 77 CO 0.11 -1.58 0.00 0.61 -2.03 0.00 0.00 177.10 174.21 1axj n GLY 78 N 5.23 -0.60 2.31 0.45 0.00 -1.26 -3.45 105.19 107.86 1axj n GLY 78 Ca 0.04 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1axj n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 79 N -1.47 3.34 -3.66 1.61 -0.04 -1.26 -3.15 135.00 130.37 1axj n PRO 79 Ca 0.00 -1.98 -0.11 0.00 -0.04 0.00 0.00 63.50 61.37 1axj n PRO 79 Cb 0.00 -2.67 -0.11 0.00 -0.04 0.00 0.00 33.50 30.68 1axj n PRO 79 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1axj s GLY 80 N 2.28 -0.25 0.40 0.55 0.00 -1.07 -4.12 107.32 105.11 1axj s GLY 80 Ca 0.66 1.25 0.07 0.00 0.00 0.00 0.00 44.72 46.70 1axj s GLY 80 CO -0.05 2.16 0.15 -1.08 0.00 0.00 0.00 173.10 174.28 1axj s THR 81 N 2.45 2.32 0.04 0.90 -1.32 0.25 -3.06 115.64 117.22 1axj s THR 81 Ca -0.01 -1.75 -0.28 0.00 -1.21 0.00 0.00 61.69 58.44 1axj s THR 81 Cb -0.12 -2.98 0.10 0.00 -1.51 0.00 0.00 72.50 67.99 1axj s THR 81 CO -0.11 -0.02 1.19 -0.83 -2.21 0.00 0.00 174.62 172.64 1axj s GLY 82 N -3.87 -0.26 0.08 6.08 0.00 0.22 -0.82 107.32 108.74 1axj s GLY 82 Ca 0.40 0.34 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1axj s GLY 82 CO 0.22 1.31 -0.11 -1.36 0.00 0.00 0.00 173.10 173.16 1axj s PHE 83 N -2.49 1.02 -0.19 1.90 0.40 -0.53 -1.15 117.98 116.95 1axj s PHE 83 Ca 0.17 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1axj s PHE 83 Cb 0.02 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.93 1axj s PHE 83 CO -0.01 -0.00 0.11 -1.17 0.70 0.00 0.00 175.22 174.85 1axj s LEU 84 N -2.07 4.12 0.07 -0.37 1.98 -0.22 -1.59 118.68 120.59 1axj s LEU 84 Ca 0.00 0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.48 1axj s LEU 84 Cb -0.06 -2.05 -0.03 0.00 0.66 0.00 0.00 46.19 44.70 1axj s LEU 84 CO 0.01 0.20 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.95 1axj s ILE 85 N 0.24 0.70 -0.03 6.68 1.01 0.97 -0.84 121.20 129.93 1axj s ILE 85 Ca 0.07 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.25 1axj s ILE 85 Cb -0.11 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1axj s ILE 85 CO -0.01 -0.58 -0.10 -0.13 0.00 0.00 0.00 174.94 174.12 1axj s ARG 86 N -2.60 1.12 0.00 2.79 0.52 -0.10 -0.66 118.95 120.02 1axj s ARG 86 Ca 0.01 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1axj s ARG 86 Cb -0.03 -1.02 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1axj s ARG 86 CO -0.01 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1axj n GLY 87 N 3.34 1.65 3.34 -3.53 0.00 -0.08 -0.72 105.19 109.20 1axj n GLY 87 Ca -0.19 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 1axj n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1axj s SER 88 N -0.73 3.07 0.32 1.61 0.01 0.10 -1.73 113.70 116.34 1axj s SER 88 Ca 0.00 -0.63 0.08 0.00 1.31 0.00 0.00 55.95 56.71 1axj s SER 88 Cb 0.00 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1axj s SER 88 CO 0.00 0.21 0.12 0.00 0.41 0.00 0.00 173.24 173.98 1axj s ALA 89 N -0.90 3.45 -0.30 1.44 0.00 -0.14 -0.64 121.76 124.67 1axj s ALA 89 Ca 0.11 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 1axj s ALA 89 Cb -0.10 -0.80 0.12 0.00 0.00 0.00 0.00 23.12 22.35 1axj s ALA 89 CO 0.03 0.09 0.65 0.00 0.00 0.00 0.00 175.76 176.54 1axj s ALA 90 N -2.38 -2.03 0.29 0.00 0.00 0.50 -4.82 121.76 113.33 1axj s ALA 90 Ca 0.36 2.35 -0.29 0.00 0.00 0.00 0.00 51.96 54.39 1axj s ALA 90 Cb -0.04 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 1axj s ALA 90 CO 0.22 -0.88 1.05 -0.06 0.00 0.00 0.00 175.76 176.10 1axj s PHE 91 N 2.78 3.62 -0.02 0.00 0.40 -1.26 -0.96 117.98 122.54 1axj s PHE 91 Ca -0.06 1.74 -0.01 0.00 -0.60 0.00 0.00 56.93 58.00 1axj s PHE 91 Cb -0.11 -3.18 0.01 0.00 0.51 0.00 0.00 43.02 40.25 1axj s PHE 91 CO -0.19 -0.32 0.04 1.03 0.70 0.00 0.00 175.22 176.48 1axj s ARG 92 N -1.57 0.01 -0.26 0.44 1.81 -0.04 -4.95 118.95 114.39 1axj s ARG 92 Ca 0.46 0.12 0.09 0.00 -1.72 0.00 0.00 55.73 54.67 1axj s ARG 92 Cb -0.29 -0.09 0.45 0.00 -0.45 0.00 0.00 34.95 34.57 1axj s ARG 92 CO 0.36 -0.07 1.20 0.25 -0.68 0.00 0.00 175.30 176.36 1axj n THR 93 N 3.53 2.36 -3.51 0.02 -2.24 -1.26 -0.22 114.28 112.96 1axj n THR 93 Ca -0.19 -3.83 -0.15 0.00 -2.27 0.00 0.00 64.05 57.62 1axj n THR 93 Cb 0.56 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 1axj n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1axj s ASP 94 N -3.47 -0.55 0.00 3.42 2.15 -1.26 -5.01 116.67 111.95 1axj s ASP 94 Ca 0.46 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.73 1axj s ASP 94 Cb 0.39 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.56 1axj s ASP 94 CO -0.00 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.84 1axj n GLY 95 N 0.31 -0.59 0.05 2.66 0.00 -1.26 -3.40 105.19 102.96 1axj n GLY 95 Ca -0.18 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.15 1axj n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 96 N -0.61 0.06 0.21 1.61 -0.04 -1.26 -1.34 135.00 133.63 1axj n PRO 96 Ca 0.00 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1axj n PRO 96 Cb 0.00 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1axj n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1axj h GLU 97 N 0.00 -0.58 -0.13 0.54 5.08 -1.99 -0.90 114.58 116.60 1axj h GLU 97 Ca 0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1axj h GLU 97 Cb 0.17 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1axj h GLU 97 CO 0.00 -0.38 0.00 0.35 -1.00 0.00 0.00 179.01 177.98 1axj h PHE 98 N -1.13 0.18 -0.01 4.33 3.57 -1.39 -1.62 116.94 120.86 1axj h PHE 98 Ca -0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1axj h PHE 98 Cb 0.46 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1axj h PHE 98 CO 0.00 0.19 -0.01 0.93 -2.23 0.00 0.00 178.31 177.20 1axj h GLU 99 N 0.18 0.02 -0.47 1.11 5.08 -1.28 0.13 114.58 119.36 1axj h GLU 99 Ca 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1axj h GLU 99 Cb 0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1axj h GLU 99 CO 0.00 0.46 0.24 0.00 -1.00 0.00 0.00 179.01 178.71 1axj h ALA 100 N 0.56 1.54 0.00 3.43 0.00 -0.88 -1.16 119.26 122.75 1axj h ALA 100 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1axj h ALA 100 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1axj h ALA 100 CO 0.00 0.38 -0.23 -0.84 0.00 0.00 0.00 179.25 178.56 1axj h ILE 101 N 0.65 0.00 -0.87 0.00 -0.00 -1.25 -3.31 117.51 112.73 1axj h ILE 101 Ca 0.17 -0.84 0.25 0.00 -0.00 0.00 0.00 64.86 64.44 1axj h ILE 101 Cb 0.05 1.71 -0.03 0.00 -0.00 0.00 0.00 36.82 38.55 1axj h ILE 101 CO -0.02 0.00 0.73 0.00 -0.00 0.00 0.00 178.15 178.86 1axj h ALA 102 N 2.16 2.74 -0.84 0.16 0.00 0.58 0.87 119.26 124.94 1axj h ALA 102 Ca 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.12 1axj h ALA 102 Cb 0.92 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1axj h ALA 102 CO 0.00 -1.18 0.61 0.07 0.00 0.00 0.00 179.25 178.74 1axj h ARG 103 N 0.00 0.00 -7.80 0.00 -0.00 -1.65 -3.41 114.38 101.52 1axj h ARG 103 Ca 0.42 -0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.95 1axj h ARG 103 Cb 1.88 -0.00 0.16 0.00 -0.00 0.00 0.00 29.97 32.01 1axj h ARG 103 CO -0.00 0.00 0.41 -0.06 -0.00 0.00 0.00 179.97 180.32 1axj s PHE 104 N -4.98 1.54 0.00 4.08 0.08 0.30 -5.06 117.98 113.94 1axj s PHE 104 Ca -0.05 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1axj s PHE 104 Cb 0.21 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 1axj s PHE 104 CO 0.77 -2.64 0.00 1.17 -0.10 0.00 0.00 175.22 174.42 1axj n LYS 105 N -3.73 0.00 -0.25 0.44 4.81 -1.26 -4.74 118.16 113.43 1axj n LYS 105 Ca 0.15 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.70 1axj n LYS 105 Cb 0.59 -0.44 0.27 0.00 0.02 0.00 0.00 35.03 35.47 1axj n LYS 105 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1axj n TRP 106 N 0.00 0.66 -3.32 5.64 4.27 -1.26 -4.95 117.44 118.48 1axj n TRP 106 Ca 0.00 -0.33 -0.33 0.00 -3.89 0.00 0.00 57.50 52.95 1axj n TRP 106 Cb 0.24 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.13 1axj n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1axj s ALA 107 N -1.34 3.50 0.00 -1.67 0.00 -1.26 -4.24 121.76 116.74 1axj s ALA 107 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1axj s ALA 107 Cb 0.21 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1axj s ALA 107 CO 0.28 0.44 0.00 -2.13 0.00 0.00 0.00 175.76 174.35 1axj n ARG 108 N 0.03 4.05 -3.55 0.00 0.63 0.74 -4.89 116.66 113.67 1axj n ARG 108 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1axj n ARG 108 Cb 0.52 -0.68 -0.02 0.00 0.45 0.00 0.00 32.46 32.74 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1axj s ALA 109 N -1.33 -1.85 -0.49 5.13 0.00 -0.54 -4.85 121.76 117.83 1axj s ALA 109 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 1axj s ALA 109 Cb 0.00 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.56 1axj s ALA 109 CO 0.00 -0.73 0.46 0.00 0.00 0.00 0.00 175.76 175.48 1axj s ALA 110 N -3.02 3.53 -0.96 0.00 0.00 0.69 -1.46 121.76 120.55 1axj s ALA 110 Ca 0.07 -2.08 -0.22 0.00 0.00 0.00 0.00 51.96 49.72 1axj s ALA 110 Cb -0.01 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.03 1axj s ALA 110 CO -0.07 -1.82 1.33 -1.17 0.00 0.00 0.00 175.76 174.03 1axj s LEU 111 N 1.85 3.90 0.04 0.00 2.96 -0.03 -0.86 118.68 126.53 1axj s LEU 111 Ca 0.06 -1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 52.18 1axj s LEU 111 Cb -0.24 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1axj s LEU 111 CO 0.07 -1.42 1.01 -0.69 -1.32 0.00 0.00 176.35 173.99 1axj s VAL 112 N 4.43 4.66 -0.05 1.68 1.01 -0.14 -0.89 120.40 131.11 1axj s VAL 112 Ca 0.41 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.42 1axj s VAL 112 Cb -0.03 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1axj s VAL 112 CO -0.07 0.19 -0.23 -0.63 0.00 0.00 0.00 175.10 174.37 1axj s ILE 113 N 0.76 1.88 -0.39 2.22 1.01 0.34 -0.37 121.20 126.66 1axj s ILE 113 Ca 0.52 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 1axj s ILE 113 Cb -0.23 -1.59 0.10 0.00 0.01 0.00 0.00 42.46 40.75 1axj s ILE 113 CO 0.29 0.53 0.16 -0.89 0.00 0.00 0.00 174.94 175.02 1axj s THR 114 N -0.14 3.13 0.92 2.92 2.01 0.18 -0.91 115.64 123.76 1axj s THR 114 Ca -0.03 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 59.87 1axj s THR 114 Cb -0.13 -3.12 0.15 0.00 0.01 0.00 0.00 72.50 69.41 1axj s THR 114 CO 0.03 -0.60 1.14 -0.69 -0.69 0.00 0.00 174.62 173.80 1axj s VAL 115 N 1.13 2.13 0.11 3.82 1.01 -1.26 -0.73 120.40 126.62 1axj s VAL 115 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1axj s VAL 115 Cb -0.22 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1axj s VAL 115 CO -0.04 -0.05 0.00 0.52 0.00 0.00 0.00 175.10 175.52 1axj n VAL 116 N -4.24 1.13 -3.84 2.92 0.31 0.10 -4.86 118.33 109.86 1axj n VAL 116 Ca 0.11 0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 64.69 1axj n VAL 116 Cb 0.52 -1.51 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 1axj n VAL 116 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1axj s SER 117 N -5.91 -0.10 0.04 4.52 0.01 -1.12 -4.99 113.70 106.15 1axj s SER 117 Ca 0.00 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.51 1axj s SER 117 Cb 0.00 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1axj s SER 117 CO 0.00 -0.05 -0.15 0.00 0.41 0.00 0.00 173.24 173.45 1axj s ALA 118 N -0.02 2.71 -0.02 1.44 0.00 -1.26 -0.93 121.76 123.69 1axj s ALA 118 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1axj s ALA 118 Cb -0.01 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1axj s ALA 118 CO 0.00 0.59 0.02 -1.83 0.00 0.00 0.00 175.76 174.54 1axj s GLU 119 N -1.54 0.08 0.27 0.00 -1.05 -0.02 -4.96 118.70 111.48 1axj s GLU 119 Ca 0.16 0.14 -0.29 0.00 -0.15 0.00 0.00 54.97 54.83 1axj s GLU 119 Cb -0.11 -0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.16 1axj s GLU 119 CO 0.07 -0.15 1.11 -1.14 0.95 0.00 0.00 175.26 176.09 1axj s GLN 120 N 1.03 4.62 0.16 -4.83 0.74 -1.26 -1.06 119.66 119.06 1axj s GLN 120 Ca -0.09 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.14 1axj s GLN 120 Cb -0.13 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1axj s GLN 120 CO -0.02 0.18 0.00 0.25 -0.55 0.00 0.00 175.29 175.14 1axj n THR 121 N 1.29 0.53 0.65 -0.34 -2.24 -0.30 -4.87 114.28 109.01 1axj n THR 121 Ca -0.01 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.03 1axj n THR 121 Cb 0.45 -1.06 0.07 0.00 -2.10 0.00 0.00 70.33 67.69 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50