#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 2.42 0.73 4.03 1.02 -1.26 -4.19 118.68 121.44 1axj s LEU 2 Ca 0.00 -0.87 -0.11 0.00 0.02 0.00 0.00 54.13 53.17 1axj s LEU 2 Cb 0.00 0.15 0.03 0.00 0.02 0.00 0.00 46.19 46.39 1axj s LEU 2 CO 0.00 -0.51 1.08 -2.16 0.02 0.00 0.00 176.35 174.79 1axj s PRO 3 N -3.26 2.53 0.29 1.29 0.04 -1.26 -4.95 135.00 129.68 1axj s PRO 3 Ca 0.01 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1axj s PRO 3 Cb 0.03 -1.93 0.43 0.00 0.04 0.00 0.00 34.50 33.06 1axj s PRO 3 CO -0.07 -1.43 1.94 0.78 0.04 0.00 0.00 177.00 178.26 1axj h GLY 4 N -0.86 1.28 -0.15 0.56 0.00 -2.01 -1.83 103.07 100.06 1axj h GLY 4 Ca -0.44 -0.45 0.20 0.00 0.00 0.00 0.00 47.33 46.64 1axj h GLY 4 CO 0.53 0.41 0.36 -0.84 0.00 0.00 0.00 176.54 177.00 1axj h THR 5 N 1.15 0.50 -0.12 4.70 2.02 -1.99 -0.50 112.91 118.68 1axj h THR 5 Ca 0.35 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.44 1axj h THR 5 Cb -0.03 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.38 1axj h THR 5 CO -0.10 0.07 -0.34 0.15 0.37 0.00 0.00 175.52 175.68 1axj h PHE 6 N 0.40 -0.95 -0.29 3.16 3.57 -1.70 -0.97 116.94 120.17 1axj h PHE 6 Ca 0.53 0.04 0.04 0.00 3.53 0.00 0.00 57.97 62.11 1axj h PHE 6 Cb 0.97 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 1axj h PHE 6 CO -0.15 -0.42 0.06 0.74 -2.23 0.00 0.00 178.31 176.31 1axj h PHE 7 N -0.42 0.10 -0.42 0.41 -1.00 -1.19 -1.26 116.94 113.15 1axj h PHE 7 Ca 0.09 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.91 1axj h PHE 7 Cb 0.57 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1axj h PHE 7 CO -0.42 0.03 0.28 0.93 -1.61 0.00 0.00 178.31 177.52 1axj h GLU 8 N 0.17 0.46 -0.37 1.51 4.39 -1.00 0.94 114.58 120.68 1axj h GLU 8 Ca 0.13 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1axj h GLU 8 Cb 0.14 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1axj h GLU 8 CO -0.17 0.31 -0.22 0.28 -1.16 0.00 0.00 179.01 178.04 1axj h VAL 9 N 0.48 1.28 -0.85 3.13 2.07 -0.35 -2.99 116.25 119.02 1axj h VAL 9 Ca 0.16 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1axj h VAL 9 Cb 0.07 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1axj h VAL 9 CO -0.04 0.45 0.57 -0.07 0.02 0.00 0.00 177.57 178.50 1axj h LEU 10 N 0.59 0.96 -1.57 2.57 -0.00 -0.05 -1.33 115.31 116.48 1axj h LEU 10 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1axj h LEU 10 Cb 0.78 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1axj h LEU 10 CO 0.06 0.68 0.39 0.11 -0.00 0.00 0.00 178.44 179.69 1axj h LYS 11 N 1.13 0.00 -6.24 1.13 6.56 -0.72 -3.42 116.57 115.00 1axj h LYS 11 Ca 0.32 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.34 1axj h LYS 11 Cb -0.08 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.47 1axj h LYS 11 CO -0.08 0.00 -0.67 -0.80 -2.06 0.00 0.00 179.45 175.85 1axj s ASN 12 N -4.07 4.43 0.46 0.86 0.01 -0.50 -5.10 114.94 111.02 1axj s ASN 12 Ca -0.03 -0.66 -0.22 0.00 -0.71 0.00 0.00 52.86 51.25 1axj s ASN 12 Cb 0.07 -0.79 -0.08 0.00 0.41 0.00 0.00 41.25 40.86 1axj s ASN 12 CO 0.21 0.02 1.07 -0.70 -1.51 0.00 0.00 177.10 176.20 1axj s GLU 13 N -3.52 3.85 0.19 -0.60 2.12 -1.26 -4.76 118.70 114.71 1axj s GLU 13 Ca 0.30 1.49 -0.24 0.00 0.36 0.00 0.00 54.97 56.89 1axj s GLU 13 Cb -0.07 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.12 1axj s GLU 13 CO 0.19 -0.41 0.92 0.20 -0.54 0.00 0.00 175.26 175.62 1axj s GLY 14 N -1.75 -0.14 0.16 -1.50 0.00 -1.26 -0.96 107.32 101.86 1axj s GLY 14 Ca 0.65 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.28 1axj s GLY 14 CO 0.25 0.19 0.39 0.14 0.00 0.00 0.00 173.10 174.07 1axj s VAL 15 N -3.24 5.16 0.06 1.40 1.01 -1.26 -0.94 120.40 122.59 1axj s VAL 15 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1axj s VAL 15 Cb -0.02 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1axj s VAL 15 CO 0.04 -0.00 -0.02 -0.69 0.00 0.00 0.00 175.10 174.42 1axj s VAL 16 N -1.71 0.23 0.06 2.92 1.01 0.81 -2.45 120.40 121.28 1axj s VAL 16 Ca 0.41 -1.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.49 1axj s VAL 16 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1axj s VAL 16 CO 0.25 -0.95 0.14 0.00 0.00 0.00 0.00 175.10 174.55 1axj s ALA 17 N -3.92 -0.15 -0.10 5.51 0.00 0.48 -1.18 121.76 122.41 1axj s ALA 17 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 1axj s ALA 17 Cb 0.08 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1axj s ALA 17 CO -0.09 -0.40 0.07 0.42 0.00 0.00 0.00 175.76 175.76 1axj s ILE 18 N -3.14 -0.03 -0.48 0.00 1.01 -0.13 -0.50 121.20 117.93 1axj s ILE 18 Ca -0.01 0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 1axj s ILE 18 Cb 0.02 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.14 1axj s ILE 18 CO -0.07 -0.01 0.78 0.00 0.00 0.00 0.00 174.94 175.65 1axj s ALA 19 N 2.13 3.28 -0.36 9.38 0.00 0.36 -0.89 121.76 135.66 1axj s ALA 19 Ca 0.04 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 1axj s ALA 19 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1axj s ALA 19 CO -0.06 -2.02 0.62 0.99 0.00 0.00 0.00 175.76 175.29 1axj s THR 20 N 3.30 4.90 0.32 0.00 2.01 -0.51 -1.10 115.64 124.57 1axj s THR 20 Ca 0.27 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 1axj s THR 20 Cb -0.13 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1axj s THR 20 CO 0.20 -0.32 1.12 -1.58 -0.69 0.00 0.00 174.62 173.34 1axj s GLN 21 N 2.67 4.47 0.00 4.92 2.00 -0.69 -0.71 119.66 132.32 1axj s GLN 21 Ca 0.23 1.79 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 1axj s GLN 21 Cb -0.15 -3.01 0.00 0.00 0.80 0.00 0.00 33.01 30.66 1axj s GLN 21 CO 0.15 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.41 1axj n GLY 22 N 0.95 0.11 2.16 2.59 0.00 -1.26 -3.96 105.19 105.79 1axj n GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.89 0.00 -0.39 1.61 2.13 -1.26 -4.20 120.64 117.63 1axj n GLU 23 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1axj n GLU 23 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -3.20 4.68 -0.05 4.31 5.75 -1.26 -4.90 116.55 121.89 1axj n ASP 24 Ca 0.00 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1axj n ASP 24 Cb 0.00 -0.97 -0.00 0.00 -1.03 0.00 0.00 41.12 39.12 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 1.36 -2.80 3.78 6.12 0.00 -1.26 -4.96 105.19 107.42 1axj n GLY 25 Ca 0.00 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.88 3.57 -0.50 1.61 0.04 -1.26 -4.33 135.00 130.25 1axj s PRO 26 Ca 0.00 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 1axj s PRO 26 Cb 0.00 -2.15 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1axj s PRO 26 CO 0.00 -0.67 0.43 -1.58 0.04 0.00 0.00 177.00 175.22 1axj s HIS 27 N -1.74 3.29 -1.02 0.56 2.46 0.11 -4.75 115.29 114.19 1axj s HIS 27 Ca 0.69 -1.35 -0.23 0.00 0.47 0.00 0.00 55.06 54.63 1axj s HIS 27 Cb -0.24 -3.55 0.02 0.00 -0.13 0.00 0.00 32.58 28.68 1axj s HIS 27 CO 0.28 -0.96 1.63 -1.17 -2.47 0.00 0.00 174.74 172.05 1axj s LEU 28 N 1.55 3.42 0.81 8.88 2.96 -1.25 -1.42 118.68 133.63 1axj s LEU 28 Ca 0.04 -1.35 -0.12 0.00 -0.22 0.00 0.00 54.13 52.48 1axj s LEU 28 Cb -0.28 -2.57 0.09 0.00 0.50 0.00 0.00 46.19 43.93 1axj s LEU 28 CO 0.03 -1.87 1.18 0.68 -1.32 0.00 0.00 176.35 175.04 1axj s VAL 29 N 6.53 2.01 0.36 1.68 -7.23 -0.07 -4.81 120.40 118.87 1axj s VAL 29 Ca 0.54 -0.02 0.09 0.00 -1.81 0.00 0.00 61.98 60.79 1axj s VAL 29 Cb -0.01 -3.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1axj s VAL 29 CO -0.05 0.00 -0.06 0.20 -0.31 0.00 0.00 175.10 174.88 1axj s ASN 30 N -4.60 3.83 0.17 4.85 0.02 -1.26 -0.95 114.94 116.99 1axj s ASN 30 Ca 0.63 -1.20 -0.23 0.00 -1.02 0.00 0.00 52.86 51.04 1axj s ASN 30 Cb -0.11 -0.38 0.08 0.00 0.02 0.00 0.00 41.25 40.86 1axj s ASN 30 CO 0.49 -0.26 1.03 0.28 0.02 0.00 0.00 177.10 178.67 1axj s THR 31 N -2.61 0.00 0.00 1.60 -1.32 -0.32 -4.90 115.64 108.08 1axj s THR 31 Ca 0.33 -0.59 0.08 0.00 -1.21 0.00 0.00 61.69 60.31 1axj s THR 31 Cb 0.03 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 1axj s THR 31 CO 0.17 0.00 -0.25 0.26 -2.21 0.00 0.00 174.62 172.60 1axj s TRP 32 N -2.46 2.19 0.51 9.09 0.52 -1.26 -0.13 118.94 127.40 1axj s TRP 32 Ca 0.19 -0.41 0.23 0.00 0.02 0.00 0.00 56.10 56.14 1axj s TRP 32 Cb -0.02 -1.38 1.32 0.00 -1.15 0.00 0.00 33.47 32.24 1axj s TRP 32 CO 0.04 0.02 1.97 -0.91 0.02 0.00 0.00 176.95 178.08 1axj h ASN 33 N 5.28 0.10 0.00 2.95 2.35 -1.35 -1.16 115.58 123.74 1axj h ASN 33 Ca -0.43 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 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 0.05 0.00 -0.24 -1.65 0.00 0.00 177.43 176.05 1axj n SER 34 N -4.39 0.39 -0.03 5.81 2.88 -1.26 -1.50 113.62 115.51 1axj n SER 34 Ca 0.12 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1axj n SER 34 Cb 0.62 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 -2.02 0.00 -2.71 0.66 4.01 -0.44 -5.08 117.16 111.57 1axj n TYR 35 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 1axj n TYR 35 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.65 3.45 -0.03 7.72 1.43 -0.57 -4.30 118.68 125.73 1axj s LEU 36 Ca 0.01 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1axj s LEU 36 Cb 0.01 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.92 1axj s LEU 36 CO 0.02 -0.87 -0.04 -1.59 0.23 0.00 0.00 176.35 174.09 1axj s LYS 37 N -4.75 0.69 -0.01 1.70 0.00 -0.70 -5.02 119.74 111.65 1axj s LYS 37 Ca 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 55.97 56.35 1axj s LYS 37 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 37.83 36.98 1axj s LYS 37 CO 0.41 -0.03 0.15 0.08 0.00 0.00 0.00 175.35 175.96 1axj s VAL 38 N 0.66 5.25 0.51 1.79 1.01 -1.26 -0.61 120.40 127.75 1axj s VAL 38 Ca -0.08 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1axj s VAL 38 Cb -0.12 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1axj s VAL 38 CO -0.00 0.34 0.02 -0.76 0.00 0.00 0.00 175.10 174.70 1axj s LEU 39 N -1.85 2.20 1.13 3.92 1.43 0.40 -4.98 118.68 120.93 1axj s LEU 39 Ca 0.26 -1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 51.50 1axj s LEU 39 Cb -0.12 -0.62 0.25 0.00 0.03 0.00 0.00 46.19 45.72 1axj s LEU 39 CO 0.17 -0.90 1.12 -0.62 0.23 0.00 0.00 176.35 176.34 1axj s ASP 40 N -3.85 1.57 -1.22 2.29 2.15 -1.26 -3.76 116.67 112.58 1axj s ASP 40 Ca 0.06 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1axj s ASP 40 Cb 0.01 -1.15 0.00 0.00 -0.30 0.00 0.00 42.92 41.48 1axj s ASP 40 CO 0.03 -3.74 0.00 0.61 -0.17 0.00 0.00 175.17 171.91 1axj n GLY 41 N -1.16 -0.21 2.19 2.66 0.00 -1.26 -1.75 105.19 105.66 1axj n GLY 41 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.64 -3.90 -4.71 1.61 2.04 -1.25 -4.86 115.26 102.55 1axj n ASN 42 Ca -0.16 0.29 -0.42 0.00 -0.44 0.00 0.00 54.58 53.85 1axj n ASN 42 Cb 0.60 -3.51 -0.03 0.00 -2.53 0.00 0.00 39.78 34.31 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1axj s ARG 43 N -3.77 4.40 0.14 -3.83 3.52 -0.71 -4.13 118.95 114.57 1axj s ARG 43 Ca 0.00 1.80 0.10 0.00 -0.13 0.00 0.00 55.73 57.50 1axj s ARG 43 Cb 0.00 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1axj s ARG 43 CO 0.00 -0.32 -0.21 0.42 -0.81 0.00 0.00 175.30 174.38 1axj s ILE 44 N 1.30 2.59 0.02 4.11 -1.09 -0.49 -0.45 121.20 127.19 1axj s ILE 44 Ca 0.59 -1.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1axj s ILE 44 Cb -0.30 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1axj s ILE 44 CO 0.28 0.05 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.33 1axj s VAL 45 N -1.23 0.13 -0.04 2.92 1.01 0.22 -0.52 120.40 122.90 1axj s VAL 45 Ca 0.17 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1axj s VAL 45 Cb -0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1axj s VAL 45 CO 0.09 -0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.00 1axj s VAL 46 N -1.03 1.36 -0.48 2.92 1.01 -0.04 -1.71 120.40 122.42 1axj s VAL 46 Ca -0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1axj s VAL 46 Cb -0.07 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1axj s VAL 46 CO -0.01 0.39 1.33 -2.16 0.00 0.00 0.00 175.10 174.66 1axj s PRO 47 N 0.02 3.53 -0.43 2.72 0.04 -1.26 -0.54 135.00 139.08 1axj s PRO 47 Ca -0.03 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 1axj s PRO 47 Cb -0.11 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.43 1axj s PRO 47 CO 0.02 -1.64 0.89 0.54 0.04 0.00 0.00 177.00 176.85 1axj s VAL 48 N 5.33 4.55 -0.03 -0.36 0.11 -0.44 -4.85 120.40 124.71 1axj s VAL 48 Ca 0.54 0.82 0.10 0.00 -2.93 0.00 0.00 61.98 60.51 1axj s VAL 48 Cb -0.11 -4.37 -0.16 0.00 -1.53 0.00 0.00 36.38 30.22 1axj s VAL 48 CO 0.30 -0.71 0.20 0.61 -3.33 0.00 0.00 175.10 172.17 1axj n GLY 49 N 4.77 -0.47 2.48 6.54 0.00 -1.26 -0.30 105.19 116.95 1axj n GLY 49 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 1.98 1.40 2.78 -0.02 0.00 -1.26 -4.69 105.19 105.38 1axj n GLY 50 Ca -0.04 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.17 4.43 -0.03 1.61 2.00 -1.26 -4.92 117.12 117.78 1axj n MET 51 Ca -0.14 -4.75 -0.13 0.00 0.00 0.00 0.00 57.70 52.68 1axj n MET 51 Cb 0.81 -2.36 -0.10 0.00 0.00 0.00 0.00 33.22 31.56 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 3.63 0.04 -0.92 2.03 3.86 -1.99 -0.83 115.15 120.97 1axj h HIS 52 Ca 0.35 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.71 1axj h HIS 52 Cb 0.40 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.77 1axj h HIS 52 CO 1.11 0.60 0.51 -0.22 0.86 0.00 0.00 177.93 180.79 1axj h LYS 53 N -0.53 0.68 -0.91 2.45 3.64 -2.00 -0.43 116.57 119.48 1axj h LYS 53 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1axj h LYS 53 Cb 0.60 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1axj h LYS 53 CO 0.00 0.45 0.56 1.15 -2.27 0.00 0.00 179.45 179.34 1axj h THR 54 N 0.70 1.25 -0.26 1.00 2.02 -1.93 0.24 112.91 115.94 1axj h THR 54 Ca 0.51 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1axj h THR 54 Cb 0.73 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1axj h THR 54 CO -0.36 0.26 0.09 -0.08 0.37 0.00 0.00 175.52 175.80 1axj h GLU 55 N 1.26 0.21 -0.64 6.66 4.81 0.40 0.80 114.58 128.08 1axj h GLU 55 Ca 0.33 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1axj h GLU 55 Cb -0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1axj h GLU 55 CO -0.06 0.14 0.33 0.00 -0.73 0.00 0.00 179.01 178.68 1axj h ALA 56 N 1.16 0.83 -0.67 2.92 0.00 -0.87 -1.70 119.26 120.93 1axj h ALA 56 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1axj h ALA 56 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1axj h ALA 56 CO -0.11 0.37 0.29 -0.91 0.00 0.00 0.00 179.25 178.89 1axj h ASN 57 N 0.88 0.91 -0.16 0.00 4.21 -0.06 0.52 115.58 121.88 1axj h ASN 57 Ca 0.22 -0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 1axj h ASN 57 Cb 0.09 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 1axj h ASN 57 CO -0.03 0.81 0.09 0.58 -1.29 0.00 0.00 177.43 177.59 1axj h VAL 58 N 0.94 1.10 -0.29 2.81 2.07 -0.69 0.21 116.25 122.41 1axj h VAL 58 Ca 0.23 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1axj h VAL 58 Cb 0.17 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1axj h VAL 58 CO -0.02 0.10 0.24 0.00 0.02 0.00 0.00 177.57 177.90 1axj h ALA 59 N 0.98 2.12 0.09 1.67 0.00 -0.84 -2.94 119.26 120.34 1axj h ALA 59 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1axj h ALA 59 Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1axj h ALA 59 CO -0.01 -0.39 -0.61 0.00 0.00 0.00 0.00 179.25 178.25 1axj h ARG 60 N 0.00 0.19 -2.65 0.00 2.47 0.58 -3.48 114.38 111.50 1axj h ARG 60 Ca 0.14 -0.32 -0.12 0.00 -1.26 0.00 0.00 59.98 58.41 1axj h ARG 60 Cb 0.61 0.12 -0.27 0.00 -1.65 0.00 0.00 29.97 28.78 1axj h ARG 60 CO -0.00 1.16 -0.32 0.34 0.56 0.00 0.00 179.97 181.71 1axj s ASP 61 N -6.73 -0.46 0.26 7.04 2.15 0.58 -4.96 116.67 114.55 1axj s ASP 61 Ca -0.16 0.89 0.25 0.00 0.43 0.00 0.00 52.55 53.96 1axj s ASP 61 Cb 0.00 0.83 0.86 0.00 -0.30 0.00 0.00 42.92 44.31 1axj s ASP 61 CO 0.77 -0.20 1.75 1.05 -0.17 0.00 0.00 175.17 178.38 1axj h GLU 62 N 7.28 0.00 -6.66 4.34 -0.00 -1.82 -3.36 114.58 114.36 1axj h GLU 62 Ca -0.34 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.50 1axj h GLU 62 Cb 1.17 0.00 0.06 0.00 -0.00 0.00 0.00 28.75 29.98 1axj h GLU 62 CO 0.27 0.00 0.95 1.03 -0.00 0.00 0.00 179.01 181.27 1axj s ARG 63 N -3.21 4.16 0.04 1.06 3.00 -1.26 -0.38 118.95 122.36 1axj s ARG 63 Ca 0.08 2.52 -0.00 0.00 0.00 0.00 0.00 55.73 58.33 1axj s ARG 63 Cb 0.11 -3.09 -0.03 0.00 0.00 0.00 0.00 34.95 31.93 1axj s ARG 63 CO 0.53 -0.69 -0.04 0.14 0.00 0.00 0.00 175.30 175.25 1axj s VAL 64 N 1.01 0.25 0.09 3.52 -7.23 0.05 -1.70 120.40 116.39 1axj s VAL 64 Ca 0.72 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 1axj s VAL 64 Cb -0.47 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1axj s VAL 64 CO 0.34 -0.79 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.12 1axj s LEU 65 N -2.37 3.45 -0.03 1.32 2.96 -0.26 -1.58 118.68 122.16 1axj s LEU 65 Ca -0.01 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1axj s LEU 65 Cb 0.01 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1axj s LEU 65 CO -0.06 0.18 0.05 -0.32 -1.32 0.00 0.00 176.35 174.88 1axj s MET 66 N -2.29 -0.07 -0.17 1.98 -2.45 0.04 -0.49 119.30 115.86 1axj s MET 66 Ca 0.25 0.32 -0.04 0.00 -1.25 0.00 0.00 55.69 54.98 1axj s MET 66 Cb -0.12 -0.43 -0.03 0.00 1.25 0.00 0.00 34.83 35.51 1axj s MET 66 CO 0.18 -0.28 -0.03 0.95 1.05 0.00 0.00 175.02 176.89 1axj s THR 67 N 1.84 3.89 0.44 10.11 -4.23 0.35 -0.13 115.64 127.91 1axj s THR 67 Ca 0.01 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1axj s THR 67 Cb -0.12 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1axj s THR 67 CO -0.03 0.47 0.10 -1.48 -0.54 0.00 0.00 174.62 173.14 1axj s LEU 68 N 0.59 2.83 0.00 4.79 -0.00 -0.64 -0.39 118.68 125.87 1axj s LEU 68 Ca -0.02 -1.31 0.00 0.00 -0.00 0.00 0.00 54.13 52.80 1axj s LEU 68 Cb -0.14 -1.08 0.00 0.00 -0.00 0.00 0.00 46.19 44.97 1axj s LEU 68 CO 0.02 -0.62 0.00 0.61 -0.00 0.00 0.00 176.35 176.36 1axj n GLY 69 N -1.19 1.59 3.20 -3.48 0.00 -1.02 -1.38 105.19 102.90 1axj n GLY 69 Ca -0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 0.15 0.14 0.00 1.61 0.15 -0.21 -4.02 113.70 111.53 1axj s SER 70 Ca 0.00 -0.66 0.22 0.00 0.70 0.00 0.00 55.95 56.20 1axj s SER 70 Cb 0.00 0.33 -0.22 0.00 -1.71 0.00 0.00 66.02 64.42 1axj s SER 70 CO 0.00 -0.72 0.74 0.54 1.20 0.00 0.00 173.24 175.00 1axj n ARG 71 N -0.04 0.36 0.00 5.44 1.74 -0.14 -3.48 116.66 120.54 1axj n ARG 71 Ca -0.15 -0.09 0.12 0.00 -0.77 0.00 0.00 57.85 56.97 1axj n ARG 71 Cb 0.62 -1.53 0.25 0.00 -1.02 0.00 0.00 32.46 30.78 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 -1.95 0.54 -4.40 5.56 5.02 -1.26 -4.74 118.16 116.93 1axj n LYS 72 Ca 0.00 -0.35 -0.23 0.00 -2.02 0.00 0.00 58.31 55.72 1axj n LYS 72 Cb 0.46 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.70 0.89 0.04 -0.18 1.01 -1.26 -5.04 120.40 113.16 1axj s VAL 73 Ca 0.18 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1axj s VAL 73 Cb 0.18 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1axj s VAL 73 CO 0.61 0.30 1.00 0.00 0.00 0.00 0.00 175.10 177.01 1axj s ALA 74 N 0.78 3.21 0.00 5.51 0.00 -1.26 -0.48 121.76 129.52 1axj s ALA 74 Ca -0.13 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1axj s ALA 74 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1axj s ALA 74 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1axj n GLY 75 N 2.73 4.49 0.07 0.00 0.00 -1.20 -4.53 105.19 106.76 1axj n GLY 75 Ca 0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.06 -5.54 1.61 3.08 -1.79 -3.44 114.38 108.24 1axj h ARG 76 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1axj h ARG 76 Cb 0.00 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 29.92 1axj h ARG 76 CO 0.00 0.04 0.48 0.54 -1.07 0.00 0.00 179.97 179.96 1axj s ASN 77 N -5.53 6.25 0.80 7.04 6.03 -1.26 -4.92 114.94 123.35 1axj s ASN 77 Ca -0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 52.86 51.08 1axj s ASN 77 Cb -0.00 -2.41 0.00 0.00 -3.03 0.00 0.00 41.25 35.81 1axj s ASN 77 CO 0.09 -1.28 0.00 0.61 -2.03 0.00 0.00 177.10 174.49 1axj n GLY 78 N 5.22 -1.03 2.29 0.45 0.00 -1.26 -3.72 105.19 107.13 1axj n GLY 78 Ca -0.02 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.29 3.56 -3.32 1.61 -0.04 -1.26 -3.23 135.00 130.04 1axj n PRO 79 Ca 0.00 -2.13 -0.07 0.00 -0.04 0.00 0.00 63.50 61.26 1axj n PRO 79 Cb 0.12 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 30.81 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 2.06 -0.51 0.43 0.55 0.00 -1.09 -4.18 107.32 104.58 1axj s GLY 80 Ca 0.69 1.05 0.07 0.00 0.00 0.00 0.00 44.72 46.53 1axj s GLY 80 CO -0.06 2.78 0.58 -1.08 0.00 0.00 0.00 173.10 175.33 1axj s THR 81 N 2.60 3.05 -0.10 0.90 -1.32 0.37 -3.75 115.64 117.38 1axj s THR 81 Ca 0.14 -0.96 -0.33 0.00 -1.21 0.00 0.00 61.69 59.32 1axj s THR 81 Cb -0.15 -3.03 0.15 0.00 -1.51 0.00 0.00 72.50 67.96 1axj s THR 81 CO -0.17 -0.01 1.45 -0.83 -2.21 0.00 0.00 174.62 172.85 1axj s GLY 82 N -4.34 -0.51 0.19 6.08 0.00 0.26 -1.04 107.32 107.96 1axj s GLY 82 Ca 0.55 0.99 0.09 0.00 0.00 0.00 0.00 44.72 46.34 1axj s GLY 82 CO 0.33 0.18 -0.17 -1.36 0.00 0.00 0.00 173.10 172.09 1axj s PHE 83 N -2.00 1.83 -0.19 1.90 0.40 -0.48 -1.00 117.98 118.44 1axj s PHE 83 Ca 0.15 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 1axj s PHE 83 Cb 0.08 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 1axj s PHE 83 CO -0.07 0.38 0.11 -1.17 0.70 0.00 0.00 175.22 175.18 1axj s LEU 84 N -2.98 4.12 0.07 -0.37 1.98 -0.38 -1.62 118.68 119.51 1axj s LEU 84 Ca 0.20 0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.67 1axj s LEU 84 Cb -0.04 -2.06 -0.03 0.00 0.66 0.00 0.00 46.19 44.72 1axj s LEU 84 CO 0.08 0.19 -0.09 -0.63 -1.89 0.00 0.00 176.35 174.01 1axj s ILE 85 N 0.28 0.71 -0.01 6.68 1.01 0.81 -0.77 121.20 129.92 1axj s ILE 85 Ca 0.07 -1.38 0.04 0.00 0.00 0.00 0.00 60.65 59.38 1axj s ILE 85 Cb -0.11 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1axj s ILE 85 CO -0.01 -0.50 -0.12 -0.13 0.00 0.00 0.00 174.94 174.18 1axj s ARG 86 N -2.28 0.97 0.00 2.79 0.52 -0.45 -0.78 118.95 119.72 1axj s ARG 86 Ca -0.02 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1axj s ARG 86 Cb -0.06 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.48 1axj s ARG 86 CO -0.00 0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1axj n GLY 87 N 2.73 0.74 3.37 -3.53 0.00 -0.62 -1.20 105.19 106.68 1axj n GLY 87 Ca -0.14 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.61 3.13 0.29 1.61 0.01 -0.62 -0.77 113.70 116.75 1axj s SER 88 Ca 0.00 -0.76 0.08 0.00 1.31 0.00 0.00 55.95 56.58 1axj s SER 88 Cb 0.00 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1axj s SER 88 CO 0.00 0.13 0.15 0.00 0.41 0.00 0.00 173.24 173.93 1axj s ALA 89 N -1.24 3.51 -0.28 1.44 0.00 0.49 -0.17 121.76 125.51 1axj s ALA 89 Ca 0.14 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.36 1axj s ALA 89 Cb -0.09 -1.00 0.12 0.00 0.00 0.00 0.00 23.12 22.14 1axj s ALA 89 CO 0.06 0.15 0.63 0.00 0.00 0.00 0.00 175.76 176.60 1axj s ALA 90 N -2.29 -1.92 0.25 0.00 0.00 0.40 -4.84 121.76 113.36 1axj s ALA 90 Ca 0.35 2.25 -0.30 0.00 0.00 0.00 0.00 51.96 54.27 1axj s ALA 90 Cb -0.06 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1axj s ALA 90 CO 0.23 -0.84 1.12 -0.06 0.00 0.00 0.00 175.76 176.21 1axj s PHE 91 N 2.72 3.55 -0.06 0.00 0.40 -1.26 -1.23 117.98 122.09 1axj s PHE 91 Ca -0.06 1.64 -0.01 0.00 -0.60 0.00 0.00 56.93 57.90 1axj s PHE 91 Cb -0.11 -3.31 0.03 0.00 0.51 0.00 0.00 43.02 40.13 1axj s PHE 91 CO -0.18 -0.67 -0.01 1.03 0.70 0.00 0.00 175.22 176.08 1axj s ARG 92 N -1.09 0.62 -0.22 0.44 1.81 0.20 -4.96 118.95 115.75 1axj s ARG 92 Ca 0.47 0.06 0.11 0.00 -1.72 0.00 0.00 55.73 54.65 1axj s ARG 92 Cb -0.32 -0.88 0.43 0.00 -0.45 0.00 0.00 34.95 33.74 1axj s ARG 92 CO 0.40 -0.23 1.21 0.25 -0.68 0.00 0.00 175.30 176.24 1axj n THR 93 N 4.78 2.14 -3.54 0.02 -2.24 -1.26 -0.07 114.28 114.11 1axj n THR 93 Ca -0.13 -3.36 -0.16 0.00 -2.27 0.00 0.00 64.05 58.12 1axj n THR 93 Cb 0.50 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.28 -0.58 0.00 3.42 2.15 -1.26 -5.02 116.67 112.10 1axj s ASP 94 Ca 0.41 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1axj s ASP 94 Cb 0.38 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.52 1axj s ASP 94 CO -0.05 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 1axj n GLY 95 N 0.73 -0.61 0.00 2.66 0.00 -1.26 -3.71 105.19 103.00 1axj n GLY 95 Ca -0.19 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.62 0.03 0.46 1.61 -0.04 -1.26 -2.25 135.00 132.93 1axj n PRO 96 Ca 0.00 0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.58 1axj n PRO 96 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.13 -0.13 0.54 4.39 -1.97 0.13 114.58 116.40 1axj h GLU 97 Ca 0.00 0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1axj h GLU 97 Cb 0.16 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1axj h GLU 97 CO 0.00 -0.75 0.01 0.35 -1.16 0.00 0.00 179.01 177.46 1axj h PHE 98 N -1.23 0.18 -0.07 4.33 3.57 -1.53 -1.89 116.94 120.31 1axj h PHE 98 Ca -0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1axj h PHE 98 Cb 0.90 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1axj h PHE 98 CO 0.02 0.19 -0.04 0.93 -2.23 0.00 0.00 178.31 177.19 1axj h GLU 99 N 0.19 0.14 -0.89 1.11 5.08 -1.40 0.19 114.58 119.00 1axj h GLU 99 Ca 0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1axj h GLU 99 Cb 0.12 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1axj h GLU 99 CO 0.00 0.52 0.59 0.00 -1.00 0.00 0.00 179.01 179.12 1axj h ALA 100 N 0.62 1.14 0.00 3.43 0.00 -0.67 -1.85 119.26 121.92 1axj h ALA 100 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1axj h ALA 100 Cb 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1axj h ALA 100 CO 0.01 0.50 0.00 -0.84 0.00 0.00 0.00 179.25 178.92 1axj h ILE 101 N 1.18 0.00 -0.45 0.00 -0.00 -1.24 -3.36 117.51 113.63 1axj h ILE 101 Ca 0.33 -0.87 0.13 0.00 -0.00 0.00 0.00 64.86 64.46 1axj h ILE 101 Cb -0.09 1.87 -0.02 0.00 -0.00 0.00 0.00 36.82 38.57 1axj h ILE 101 CO -0.09 0.00 0.35 0.00 -0.00 0.00 0.00 178.15 178.42 1axj h ALA 102 N 2.12 2.34 -0.98 0.16 0.00 0.26 -0.11 119.26 123.06 1axj h ALA 102 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1axj h ALA 102 Cb 0.93 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1axj h ALA 102 CO 0.00 -0.58 0.61 0.07 0.00 0.00 0.00 179.25 179.35 1axj h ARG 103 N 0.00 0.69 -7.24 0.00 0.11 -1.72 -3.42 114.38 102.81 1axj h ARG 103 Ca 0.21 -0.04 -0.40 0.00 0.10 0.00 0.00 59.98 59.85 1axj h ARG 103 Cb 0.92 -0.16 0.20 0.00 1.11 0.00 0.00 29.97 32.04 1axj h ARG 103 CO -0.00 0.46 0.03 -0.06 0.10 0.00 0.00 179.97 180.49 1axj s PHE 104 N -5.76 0.05 0.00 4.08 0.08 -0.05 -5.02 117.98 111.36 1axj s PHE 104 Ca -0.11 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1axj s PHE 104 Cb 0.24 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1axj s PHE 104 CO 0.80 -4.35 0.00 1.17 -0.10 0.00 0.00 175.22 172.74 1axj n LYS 105 N -5.13 0.00 -0.15 0.44 3.00 -1.26 -4.70 118.16 110.35 1axj n LYS 105 Ca 0.13 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1axj n LYS 105 Cb 0.59 -0.43 0.14 0.00 0.00 0.00 0.00 35.03 35.33 1axj n LYS 105 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1axj n TRP 106 N 0.00 0.40 -2.92 5.64 4.27 -1.26 -5.00 117.44 118.57 1axj n TRP 106 Ca 0.00 -0.42 -0.40 0.00 -3.89 0.00 0.00 57.50 52.80 1axj n TRP 106 Cb 0.22 -0.02 -0.06 0.00 -1.36 0.00 0.00 31.31 30.09 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 -0.99 3.40 0.00 -1.67 0.00 -1.26 -4.25 121.76 116.98 1axj s ALA 107 Ca 0.22 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1axj s ALA 107 Cb 0.12 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1axj s ALA 107 CO 0.16 0.22 0.08 -2.13 0.00 0.00 0.00 175.76 174.09 1axj n ARG 108 N 1.83 5.45 -3.56 0.00 0.00 0.58 -4.91 116.66 116.06 1axj n ARG 108 Ca -0.04 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.85 57.67 1axj n ARG 108 Cb 0.49 -0.56 -0.02 0.00 0.00 0.00 0.00 32.46 32.37 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1axj s ALA 109 N -0.80 -1.88 -0.45 5.13 0.00 -0.43 -4.90 121.76 118.44 1axj s ALA 109 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1axj s ALA 109 Cb 0.00 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.52 1axj s ALA 109 CO 0.00 -0.73 0.34 0.00 0.00 0.00 0.00 175.76 175.36 1axj s ALA 110 N -2.96 3.44 -0.99 0.00 0.00 0.90 -1.33 121.76 120.83 1axj s ALA 110 Ca 0.07 -2.12 -0.23 0.00 0.00 0.00 0.00 51.96 49.68 1axj s ALA 110 Cb -0.01 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.27 1axj s ALA 110 CO -0.06 -1.69 1.42 -1.17 0.00 0.00 0.00 175.76 174.26 1axj s LEU 111 N 1.55 3.54 0.04 0.00 2.96 0.30 -0.63 118.68 126.43 1axj s LEU 111 Ca 0.04 -1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 52.25 1axj s LEU 111 Cb -0.24 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1axj s LEU 111 CO 0.05 -1.52 0.99 -0.69 -1.32 0.00 0.00 176.35 173.86 1axj s VAL 112 N 4.95 4.69 -0.11 1.68 1.01 -0.37 -0.86 120.40 131.38 1axj s VAL 112 Ca 0.45 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.47 1axj s VAL 112 Cb -0.01 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1axj s VAL 112 CO -0.08 0.20 -0.23 -0.63 0.00 0.00 0.00 175.10 174.36 1axj s ILE 113 N 0.72 2.04 -0.88 2.22 1.01 0.33 -0.45 121.20 126.18 1axj s ILE 113 Ca 0.51 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1axj s ILE 113 Cb -0.22 -1.78 0.22 0.00 0.01 0.00 0.00 42.46 40.69 1axj s ILE 113 CO 0.29 0.55 0.85 -0.89 0.00 0.00 0.00 174.94 175.73 1axj s THR 114 N 0.52 5.62 0.84 2.92 2.01 0.77 -1.39 115.64 126.92 1axj s THR 114 Ca -0.15 -2.57 -0.12 0.00 0.31 0.00 0.00 61.69 59.16 1axj s THR 114 Cb -0.17 -4.51 0.10 0.00 0.01 0.00 0.00 72.50 67.93 1axj s THR 114 CO 0.05 -1.08 1.18 -0.69 -0.69 0.00 0.00 174.62 173.39 1axj s VAL 115 N 0.09 2.09 0.05 3.82 1.01 -1.26 -1.58 120.40 124.63 1axj s VAL 115 Ca 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1axj s VAL 115 Cb -0.10 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1axj s VAL 115 CO -0.09 -0.03 -0.02 0.52 0.00 0.00 0.00 175.10 175.48 1axj n VAL 116 N -3.58 0.91 -3.77 2.92 0.31 -0.34 -4.77 118.33 110.00 1axj n VAL 116 Ca 0.13 0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.60 1axj n VAL 116 Cb 0.51 -1.60 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 -5.74 -0.29 0.10 4.52 0.01 -1.17 0.14 113.70 111.26 1axj s SER 117 Ca -0.02 0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.82 1axj s SER 117 Cb 0.00 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 1axj s SER 117 CO 0.03 -0.15 -0.07 0.00 0.41 0.00 0.00 173.24 173.46 1axj s ALA 118 N -0.05 3.07 -0.02 1.44 0.00 -1.26 -1.34 121.76 123.60 1axj s ALA 118 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1axj s ALA 118 Cb -0.03 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1axj s ALA 118 CO 0.01 0.66 0.01 -1.83 0.00 0.00 0.00 175.76 174.61 1axj s GLU 119 N -2.23 0.04 0.27 0.00 -1.05 0.05 -4.86 118.70 110.92 1axj s GLU 119 Ca 0.23 0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.86 1axj s GLU 119 Cb -0.11 -0.22 -0.10 0.00 -0.44 0.00 0.00 34.13 33.26 1axj s GLU 119 CO 0.15 -0.11 1.29 -1.14 0.95 0.00 0.00 175.26 176.40 1axj s GLN 120 N 0.73 4.40 0.22 -4.83 2.00 -1.26 -1.24 119.66 119.68 1axj s GLN 120 Ca -0.06 2.11 0.00 0.00 -2.00 0.00 0.00 55.36 55.40 1axj s GLN 120 Cb -0.09 -3.13 0.00 0.00 0.80 0.00 0.00 33.01 30.59 1axj s GLN 120 CO -0.02 -0.17 0.00 0.25 -0.50 0.00 0.00 175.29 174.85 1axj n THR 121 N 1.58 0.15 0.46 -0.34 -2.24 -0.57 -4.86 114.28 108.46 1axj n THR 121 Ca 0.02 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1axj n THR 121 Cb 0.42 -0.66 0.05 0.00 -2.10 0.00 0.00 70.33 68.04 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50