#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 3.12 0.77 4.03 1.02 -1.26 -5.00 118.68 121.36 1axj s LEU 2 Ca 0.00 2.37 -0.12 0.00 0.02 0.00 0.00 54.13 56.41 1axj s LEU 2 Cb 0.00 -4.59 0.06 0.00 0.02 0.00 0.00 46.19 41.68 1axj s LEU 2 CO 0.00 -2.73 1.11 -2.16 0.02 0.00 0.00 176.35 172.59 1axj s PRO 3 N -4.16 2.16 0.24 1.29 0.04 -1.26 -4.95 135.00 128.36 1axj s PRO 3 Ca 0.73 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1axj s PRO 3 Cb -0.29 -1.88 0.28 0.00 0.04 0.00 0.00 34.50 32.65 1axj s PRO 3 CO 0.51 -1.74 1.90 0.78 0.04 0.00 0.00 177.00 178.49 1axj h GLY 4 N -0.98 1.34 0.35 0.56 0.00 -2.02 -2.21 103.07 100.13 1axj h GLY 4 Ca -0.44 -0.47 0.16 0.00 0.00 0.00 0.00 47.33 46.58 1axj h GLY 4 CO 0.50 0.41 0.61 -0.84 0.00 0.00 0.00 176.54 177.23 1axj h THR 5 N 1.19 0.81 -0.10 4.70 2.02 -1.98 -0.97 112.91 118.58 1axj h THR 5 Ca 0.36 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1axj h THR 5 Cb -0.03 -0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.25 1axj h THR 5 CO -0.11 0.15 -0.38 0.15 0.37 0.00 0.00 175.52 175.70 1axj h PHE 6 N 0.81 -1.06 -0.09 3.16 3.57 -1.76 -0.47 116.94 121.09 1axj h PHE 6 Ca 0.51 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 1axj h PHE 6 Cb 0.73 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1axj h PHE 6 CO -0.00 -0.45 0.05 0.74 -2.23 0.00 0.00 178.31 176.42 1axj h PHE 7 N -0.47 0.13 -0.34 0.41 0.04 -1.29 -1.73 116.94 113.69 1axj h PHE 7 Ca 0.08 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1axj h PHE 7 Cb 0.60 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1axj h PHE 7 CO -0.44 0.17 0.17 0.93 -0.60 0.00 0.00 178.31 178.54 1axj h GLU 8 N 0.05 0.46 -0.38 1.51 4.39 -1.17 -0.07 114.58 119.37 1axj h GLU 8 Ca 0.03 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1axj h GLU 8 Cb 0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1axj h GLU 8 CO -0.00 0.36 -0.20 0.28 -1.16 0.00 0.00 179.01 178.28 1axj h VAL 9 N 0.47 1.28 -0.87 3.13 2.07 -0.75 -2.87 116.25 118.71 1axj h VAL 9 Ca 0.12 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1axj h VAL 9 Cb 0.04 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1axj h VAL 9 CO -0.02 0.45 0.57 -0.07 0.02 0.00 0.00 177.57 178.51 1axj h LEU 10 N 0.61 1.00 -1.60 2.57 3.38 -0.38 -1.41 115.31 119.47 1axj h LEU 10 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1axj h LEU 10 Cb 0.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1axj h LEU 10 CO 0.06 0.73 0.39 0.11 0.09 0.00 0.00 178.44 179.82 1axj h LYS 11 N 1.18 0.00 -6.20 1.13 6.56 -0.81 -3.42 116.57 115.00 1axj h LYS 11 Ca 0.32 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.38 1axj h LYS 11 Cb -0.12 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.48 1axj h LYS 11 CO -0.07 0.00 -0.54 -0.80 -2.06 0.00 0.00 179.45 175.98 1axj s ASN 12 N -4.11 5.44 0.47 0.86 0.01 -0.53 -5.10 114.94 111.98 1axj s ASN 12 Ca -0.03 -0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 51.65 1axj s ASN 12 Cb 0.07 -1.37 -0.08 0.00 0.41 0.00 0.00 41.25 40.28 1axj s ASN 12 CO 0.22 -0.01 1.06 -0.70 -1.51 0.00 0.00 177.10 176.16 1axj s GLU 13 N -3.67 3.83 -0.01 -0.60 2.56 -1.26 -4.83 118.70 114.72 1axj s GLU 13 Ca 0.32 1.47 -0.29 0.00 0.00 0.00 0.00 54.97 56.48 1axj s GLU 13 Cb -0.08 -2.23 0.10 0.00 2.00 0.00 0.00 34.13 33.92 1axj s GLU 13 CO 0.24 -0.42 1.28 0.20 -0.56 0.00 0.00 175.26 176.00 1axj s GLY 14 N -1.79 -0.19 -0.01 -1.50 0.00 -1.26 -2.65 107.32 99.91 1axj s GLY 14 Ca 0.65 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.54 1axj s GLY 14 CO 0.24 4.13 0.16 0.14 0.00 0.00 0.00 173.10 177.78 1axj s VAL 15 N -2.12 5.32 0.22 1.40 1.01 -1.26 -0.99 120.40 123.99 1axj s VAL 15 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1axj s VAL 15 Cb 0.01 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1axj s VAL 15 CO -0.01 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 1axj s VAL 16 N -1.29 1.24 0.08 2.92 1.01 0.47 -1.54 120.40 123.28 1axj s VAL 16 Ca 0.26 -2.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.09 1axj s VAL 16 Cb -0.12 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1axj s VAL 16 CO 0.17 -0.43 0.17 0.00 0.00 0.00 0.00 175.10 175.02 1axj s ALA 17 N -3.29 -0.17 -0.08 5.51 0.00 0.83 -1.17 121.76 123.40 1axj s ALA 17 Ca 0.26 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1axj s ALA 17 Cb 0.04 0.47 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1axj s ALA 17 CO 0.07 -0.50 0.08 0.42 0.00 0.00 0.00 175.76 175.84 1axj s ILE 18 N -3.84 -0.12 -0.48 0.00 1.01 -0.56 -0.86 121.20 116.35 1axj s ILE 18 Ca 0.05 0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 1axj s ILE 18 Cb 0.05 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.28 1axj s ILE 18 CO -0.11 0.06 0.79 0.00 0.00 0.00 0.00 174.94 175.67 1axj s ALA 19 N 2.17 3.28 -0.42 9.38 0.00 0.85 -0.76 121.76 136.26 1axj s ALA 19 Ca 0.04 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1axj s ALA 19 Cb -0.13 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1axj s ALA 19 CO -0.05 -2.04 0.54 0.99 0.00 0.00 0.00 175.76 175.21 1axj s THR 20 N 3.31 4.95 0.32 0.00 2.01 -0.40 -1.51 115.64 124.32 1axj s THR 20 Ca 0.27 -0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 1axj s THR 20 Cb -0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1axj s THR 20 CO 0.20 -0.49 1.10 -1.58 -0.69 0.00 0.00 174.62 173.17 1axj s GLN 21 N 2.49 4.46 0.00 4.92 2.00 -0.62 -1.13 119.66 131.79 1axj s GLN 21 Ca 0.18 1.76 0.00 0.00 -2.00 0.00 0.00 55.36 55.30 1axj s GLN 21 Cb -0.15 -2.99 0.00 0.00 0.80 0.00 0.00 33.01 30.66 1axj s GLN 21 CO 0.16 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.43 1axj n GLY 22 N 0.94 0.13 1.83 2.59 0.00 -1.26 -4.15 105.19 105.27 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 -0.87 0.00 -0.71 1.61 2.13 -1.26 -4.18 120.64 117.35 1axj n GLU 23 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1axj n GLU 23 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 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 -3.25 5.23 -0.08 4.31 5.75 -1.26 -4.88 116.55 122.37 1axj n ASP 24 Ca 0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1axj n ASP 24 Cb 0.00 -1.24 -0.00 0.00 -1.03 0.00 0.00 41.12 38.85 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 1.96 -2.83 3.79 6.12 0.00 -1.26 -4.98 105.19 107.98 1axj n GLY 25 Ca 0.19 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.93 3.17 -0.32 1.61 0.04 -1.26 -4.34 135.00 129.98 1axj s PRO 26 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1axj s PRO 26 Cb 0.00 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.63 1axj s PRO 26 CO 0.00 -0.94 0.03 -1.58 0.04 0.00 0.00 177.00 174.54 1axj s HIS 27 N -2.30 3.44 -1.00 0.56 2.46 -0.28 -4.85 115.29 113.33 1axj s HIS 27 Ca 0.66 -2.73 -0.20 0.00 0.47 0.00 0.00 55.06 53.26 1axj s HIS 27 Cb -0.19 -2.60 0.11 0.00 -0.13 0.00 0.00 32.58 29.77 1axj s HIS 27 CO 0.36 -0.92 1.28 -1.17 -2.47 0.00 0.00 174.74 171.82 1axj s LEU 28 N 1.02 4.52 0.89 8.88 0.20 -1.25 -1.28 118.68 131.65 1axj s LEU 28 Ca 0.07 -1.96 -0.12 0.00 0.69 0.00 0.00 54.13 52.81 1axj s LEU 28 Cb -0.19 -2.46 0.13 0.00 -0.43 0.00 0.00 46.19 43.24 1axj s LEU 28 CO -0.09 -1.18 1.13 0.68 -0.29 0.00 0.00 176.35 176.60 1axj s VAL 29 N 3.38 2.17 0.36 1.68 -7.23 0.06 -4.81 120.40 116.02 1axj s VAL 29 Ca 0.39 0.06 0.07 0.00 -1.81 0.00 0.00 61.98 60.69 1axj s VAL 29 Cb -0.03 -2.81 -0.07 0.00 0.56 0.00 0.00 36.38 34.03 1axj s VAL 29 CO -0.08 -0.07 -0.03 0.20 -0.31 0.00 0.00 175.10 174.81 1axj s ASN 30 N -4.01 3.53 0.12 4.85 0.02 -1.26 -1.50 114.94 116.69 1axj s ASN 30 Ca 0.63 -1.29 -0.26 0.00 -1.02 0.00 0.00 52.86 50.92 1axj s ASN 30 Cb -0.15 -0.32 0.07 0.00 0.02 0.00 0.00 41.25 40.88 1axj s ASN 30 CO 0.53 -0.37 1.03 0.28 0.02 0.00 0.00 177.10 178.59 1axj s THR 31 N -2.77 0.00 -0.01 1.60 -1.32 -0.31 -4.90 115.64 107.92 1axj s THR 31 Ca 0.34 -0.58 0.06 0.00 -1.21 0.00 0.00 61.69 60.30 1axj s THR 31 Cb 0.06 -2.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 1axj s THR 31 CO 0.16 0.00 -0.19 0.26 -2.21 0.00 0.00 174.62 172.65 1axj s TRP 32 N -3.08 2.55 0.48 9.09 0.52 -1.26 -0.40 118.94 126.85 1axj s TRP 32 Ca 0.13 -0.27 0.19 0.00 0.02 0.00 0.00 56.10 56.17 1axj s TRP 32 Cb -0.00 -1.54 1.20 0.00 -1.15 0.00 0.00 33.47 31.98 1axj s TRP 32 CO 0.01 0.15 2.01 -0.91 0.02 0.00 0.00 176.95 178.23 1axj h ASN 33 N 5.12 0.18 0.02 2.95 4.21 -1.38 -1.72 115.58 124.96 1axj h ASN 33 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1axj h ASN 33 Cb 1.14 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1axj h ASN 33 CO 0.48 0.11 0.00 -0.24 -1.29 0.00 0.00 177.43 176.49 1axj n SER 34 N -4.45 0.00 -0.03 5.81 2.88 -1.26 -1.72 113.62 114.86 1axj n SER 34 Ca 0.08 0.42 0.01 0.00 -1.33 0.00 0.00 58.87 58.05 1axj n SER 34 Cb 0.43 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.42 0.00 -3.59 0.66 4.01 -0.64 -5.06 117.16 111.11 1axj n TYR 35 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1axj n TYR 35 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.58 4.08 -0.00 7.72 1.43 -0.70 -4.45 118.68 125.18 1axj s LEU 36 Ca 0.01 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1axj s LEU 36 Cb 0.02 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 1axj s LEU 36 CO 0.07 -0.30 -0.04 -1.59 0.23 0.00 0.00 176.35 174.73 1axj s LYS 37 N -4.17 0.31 -0.04 1.70 0.00 -0.70 -5.02 119.74 111.84 1axj s LYS 37 Ca 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 55.97 56.18 1axj s LYS 37 Cb -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 37.83 37.41 1axj s LYS 37 CO 0.32 0.08 0.13 0.08 0.00 0.00 0.00 175.35 175.96 1axj s VAL 38 N -0.15 5.16 0.51 1.79 1.01 -1.26 -0.62 120.40 126.83 1axj s VAL 38 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1axj s VAL 38 Cb -0.02 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1axj s VAL 38 CO -0.00 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 174.76 1axj s LEU 39 N -1.62 2.22 1.17 3.92 1.43 0.59 -4.98 118.68 121.41 1axj s LEU 39 Ca 0.22 -1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 51.46 1axj s LEU 39 Cb -0.12 -0.66 0.27 0.00 0.03 0.00 0.00 46.19 45.71 1axj s LEU 39 CO 0.13 -0.89 1.12 -0.62 0.23 0.00 0.00 176.35 176.32 1axj s ASP 40 N -3.87 1.19 -1.63 2.29 2.15 -1.26 -3.39 116.67 112.15 1axj s ASP 40 Ca 0.05 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1axj s ASP 40 Cb 0.01 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 1axj s ASP 40 CO 0.03 -3.96 0.00 0.61 -0.17 0.00 0.00 175.17 171.68 1axj n GLY 41 N -1.17 -0.15 2.46 2.66 0.00 -1.26 -1.70 105.19 106.04 1axj n GLY 41 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.82 -3.97 -4.60 1.61 0.23 -1.25 -4.82 115.26 100.64 1axj n ASN 42 Ca -0.21 0.13 -0.43 0.00 -0.53 0.00 0.00 54.58 53.54 1axj n ASN 42 Cb 0.66 -2.90 -0.02 0.00 -2.08 0.00 0.00 39.78 35.44 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 -2.05 3.47 0.45 -3.83 3.52 -0.69 -4.30 118.95 115.52 1axj s ARG 43 Ca 0.00 1.01 -0.03 0.00 -0.13 0.00 0.00 55.73 56.58 1axj s ARG 43 Cb 0.00 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 1axj s ARG 43 CO 0.00 -1.70 0.71 0.42 -0.81 0.00 0.00 175.30 173.92 1axj s ILE 44 N 5.95 4.70 -0.06 4.11 1.01 -0.24 -0.30 121.20 136.37 1axj s ILE 44 Ca 0.65 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 1axj s ILE 44 Cb -0.16 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1axj s ILE 44 CO 0.32 -0.65 0.15 -0.69 0.00 0.00 0.00 174.94 174.07 1axj s VAL 45 N -2.62 -0.02 -0.05 2.92 1.01 0.20 -0.69 120.40 121.15 1axj s VAL 45 Ca 0.46 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1axj s VAL 45 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1axj s VAL 45 CO 0.41 0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.62 1axj s VAL 46 N 0.65 1.95 -0.46 2.92 1.01 -0.03 -1.71 120.40 124.72 1axj s VAL 46 Ca -0.05 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1axj s VAL 46 Cb -0.06 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1axj s VAL 46 CO -0.03 0.54 1.38 -2.16 0.00 0.00 0.00 175.10 174.83 1axj s PRO 47 N -0.14 3.53 -0.42 2.72 0.04 -1.26 -0.52 135.00 138.95 1axj s PRO 47 Ca -0.03 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 1axj s PRO 47 Cb -0.13 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.39 1axj s PRO 47 CO 0.03 -1.63 0.89 0.54 0.04 0.00 0.00 177.00 176.87 1axj s VAL 48 N 5.47 4.56 -0.03 -0.36 0.11 -0.50 -4.85 120.40 124.79 1axj s VAL 48 Ca 0.58 0.87 0.12 0.00 -2.93 0.00 0.00 61.98 60.61 1axj s VAL 48 Cb -0.12 -4.36 -0.18 0.00 -1.53 0.00 0.00 36.38 30.19 1axj s VAL 48 CO 0.31 -0.68 0.23 0.61 -3.33 0.00 0.00 175.10 172.24 1axj n GLY 49 N 4.72 -0.54 2.40 6.54 0.00 -1.26 -0.29 105.19 116.76 1axj n GLY 49 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 1.89 1.16 2.74 -0.02 0.00 -1.26 -4.64 105.19 105.06 1axj n GLY 50 Ca -0.04 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.06 3.84 -0.03 1.61 2.00 -1.26 -4.94 117.12 117.28 1axj n MET 51 Ca -0.13 -4.66 -0.13 0.00 0.00 0.00 0.00 57.70 52.78 1axj n MET 51 Cb 0.78 -2.38 -0.10 0.00 0.00 0.00 0.00 33.22 31.52 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 4.47 0.15 -0.95 2.03 3.86 -1.98 -0.91 115.15 121.83 1axj h HIS 52 Ca 0.24 -0.06 0.17 0.00 -1.16 0.00 0.00 60.37 59.57 1axj h HIS 52 Cb 0.56 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.90 1axj h HIS 52 CO 0.95 0.66 0.55 -0.22 0.86 0.00 0.00 177.93 180.73 1axj h LYS 53 N -0.40 0.70 -0.74 2.45 3.64 -2.00 -0.67 116.57 119.56 1axj h LYS 53 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1axj h LYS 53 Cb 0.66 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1axj h LYS 53 CO 0.02 0.47 0.34 1.15 -2.27 0.00 0.00 179.45 179.15 1axj h THR 54 N 0.73 1.24 -0.12 1.00 2.02 -1.93 0.30 112.91 116.15 1axj h THR 54 Ca 0.53 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1axj h THR 54 Cb 0.79 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1axj h THR 54 CO -0.37 0.29 -0.08 -0.08 0.37 0.00 0.00 175.52 175.64 1axj h GLU 55 N 1.04 -0.09 -0.73 6.66 4.81 0.32 0.11 114.58 126.69 1axj h GLU 55 Ca 0.25 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1axj h GLU 55 Cb 0.14 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1axj h GLU 55 CO -0.03 -0.06 0.26 0.00 -0.73 0.00 0.00 179.01 178.45 1axj h ALA 56 N 1.00 1.07 -0.49 2.92 0.00 -1.06 -1.26 119.26 121.45 1axj h ALA 56 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1axj h ALA 56 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1axj h ALA 56 CO -0.17 0.64 -0.01 -0.91 0.00 0.00 0.00 179.25 178.80 1axj h ASN 57 N 1.08 0.85 -0.11 0.00 4.21 0.16 -0.82 115.58 120.95 1axj h ASN 57 Ca 0.24 -0.31 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 1axj h ASN 57 Cb 0.26 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1axj h ASN 57 CO -0.01 0.95 0.01 0.58 -1.29 0.00 0.00 177.43 177.67 1axj h VAL 58 N 0.72 1.24 -0.51 2.81 2.07 -0.70 0.19 116.25 122.07 1axj h VAL 58 Ca 0.14 -0.78 0.15 0.00 0.82 0.00 0.00 66.70 67.03 1axj h VAL 58 Cb 0.52 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1axj h VAL 58 CO 0.03 0.22 0.37 0.00 0.02 0.00 0.00 177.57 178.21 1axj h ALA 59 N 0.76 2.48 0.07 1.67 0.00 -1.07 -2.89 119.26 120.28 1axj h ALA 59 Ca 0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1axj h ALA 59 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1axj h ALA 59 CO 0.00 -0.63 -1.28 0.00 0.00 0.00 0.00 179.25 177.35 1axj h ARG 60 N 0.00 0.14 -3.16 0.00 3.08 -0.63 -3.49 114.38 110.32 1axj h ARG 60 Ca 0.24 -0.24 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1axj h ARG 60 Cb 0.97 0.09 -0.30 0.00 0.08 0.00 0.00 29.97 30.81 1axj h ARG 60 CO -0.00 1.12 -0.53 0.34 -1.07 0.00 0.00 179.97 179.82 1axj s ASP 61 N -6.89 -0.19 0.44 7.04 2.15 0.61 -5.03 116.67 114.79 1axj s ASP 61 Ca -0.23 0.41 0.24 0.00 0.43 0.00 0.00 52.55 53.40 1axj s ASP 61 Cb 0.04 0.32 0.64 0.00 -0.30 0.00 0.00 42.92 43.63 1axj s ASP 61 CO 0.70 -0.14 1.71 1.05 -0.17 0.00 0.00 175.17 178.33 1axj h GLU 62 N 6.91 0.00 -6.40 4.34 4.11 -1.82 -3.33 114.58 118.38 1axj h GLU 62 Ca -0.38 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.52 1axj h GLU 62 Cb 1.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.43 1axj h GLU 62 CO 0.40 0.13 1.16 1.03 0.07 0.00 0.00 179.01 181.79 1axj s ARG 63 N -3.36 4.15 0.05 1.06 3.00 -1.26 -1.05 118.95 121.54 1axj s ARG 63 Ca 0.04 2.54 0.00 0.00 0.00 0.00 0.00 55.73 58.31 1axj s ARG 63 Cb 0.07 -3.91 -0.03 0.00 0.00 0.00 0.00 34.95 31.08 1axj s ARG 63 CO 0.65 -0.89 -0.04 0.14 0.00 0.00 0.00 175.30 175.16 1axj s VAL 64 N 3.70 0.30 0.10 3.52 -7.23 -0.41 -1.59 120.40 118.79 1axj s VAL 64 Ca 0.83 -1.49 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1axj s VAL 64 Cb -0.42 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1axj s VAL 64 CO 0.38 -0.76 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.13 1axj s LEU 65 N -2.36 3.22 0.00 1.32 0.20 -0.57 -1.48 118.68 119.02 1axj s LEU 65 Ca -0.01 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.52 1axj s LEU 65 Cb 0.00 -1.99 -0.00 0.00 -0.43 0.00 0.00 46.19 43.77 1axj s LEU 65 CO -0.05 0.18 -0.02 -0.32 -0.29 0.00 0.00 176.35 175.85 1axj s MET 66 N -2.25 0.13 -0.09 1.98 -2.45 0.29 -0.10 119.30 116.80 1axj s MET 66 Ca 0.23 -0.10 0.03 0.00 -1.25 0.00 0.00 55.69 54.60 1axj s MET 66 Cb -0.11 -0.10 0.01 0.00 1.25 0.00 0.00 34.83 35.88 1axj s MET 66 CO 0.16 0.02 -0.18 0.95 1.05 0.00 0.00 175.02 177.02 1axj s THR 67 N -0.15 1.66 0.38 10.11 -4.23 -0.04 -0.18 115.64 123.19 1axj s THR 67 Ca -0.01 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.81 1axj s THR 67 Cb -0.01 -1.47 -0.06 0.00 1.34 0.00 0.00 72.50 72.29 1axj s THR 67 CO -0.00 0.47 0.05 -1.48 -0.54 0.00 0.00 174.62 173.12 1axj s LEU 68 N 0.61 2.97 0.00 4.79 -0.00 -0.62 -0.12 118.68 126.32 1axj s LEU 68 Ca -0.14 -1.14 -0.11 0.00 -0.00 0.00 0.00 54.13 52.73 1axj s LEU 68 Cb -0.16 -1.21 0.04 0.00 -0.00 0.00 0.00 46.19 44.85 1axj s LEU 68 CO 0.04 -0.38 0.53 0.61 -0.00 0.00 0.00 176.35 177.15 1axj n GLY 69 N -1.02 0.91 3.22 -3.48 0.00 -0.59 -1.30 105.19 102.92 1axj n GLY 69 Ca -0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.25 0.01 0.00 1.61 0.15 -0.35 -4.01 113.70 108.86 1axj s SER 70 Ca 0.12 -0.44 0.22 0.00 0.70 0.00 0.00 55.95 56.55 1axj s SER 70 Cb -0.01 0.34 -0.12 0.00 -1.71 0.00 0.00 66.02 64.52 1axj s SER 70 CO 0.03 -0.67 0.98 0.54 1.20 0.00 0.00 173.24 175.32 1axj n ARG 71 N 0.28 0.29 -0.06 5.44 5.12 -1.09 -2.48 116.66 124.17 1axj n ARG 71 Ca -0.17 -0.24 0.12 0.00 -1.93 0.00 0.00 57.85 55.63 1axj n ARG 71 Cb 0.61 -1.50 0.40 0.00 -1.16 0.00 0.00 32.46 30.81 1axj n ARG 71 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1axj n LYS 72 N -1.15 1.78 -4.46 5.56 5.02 -1.26 -4.31 118.16 119.34 1axj n LYS 72 Ca 0.05 -1.16 -0.22 0.00 -2.02 0.00 0.00 58.31 54.96 1axj n LYS 72 Cb 0.36 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.83 0.91 0.02 -0.18 1.01 -1.26 -5.05 120.40 114.01 1axj s VAL 73 Ca 0.34 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1axj s VAL 73 Cb 0.19 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1axj s VAL 73 CO 0.29 0.29 1.02 0.00 0.00 0.00 0.00 175.10 176.69 1axj s ALA 74 N 0.38 3.21 0.00 5.51 0.00 -1.26 -1.02 121.76 128.57 1axj s ALA 74 Ca -0.07 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1axj s ALA 74 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1axj s ALA 74 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1axj n GLY 75 N 2.91 5.23 0.07 0.00 0.00 -1.09 -4.42 105.19 107.89 1axj n GLY 75 Ca 0.06 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 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 -6.31 1.61 3.08 -1.08 -3.44 114.38 108.24 1axj h ARG 76 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1axj h ARG 76 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1axj h ARG 76 CO 0.00 0.17 1.14 0.54 -1.07 0.00 0.00 179.97 180.75 1axj s ASN 77 N -5.88 5.98 0.45 7.04 2.20 -0.74 -4.83 114.94 119.16 1axj s ASN 77 Ca -0.15 0.08 0.00 0.00 -0.94 0.00 0.00 52.86 51.86 1axj s ASN 77 Cb 0.02 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1axj s ASN 77 CO 0.25 -1.87 0.00 0.61 -2.94 0.00 0.00 177.10 173.15 1axj n GLY 78 N 5.38 -0.22 3.56 0.45 0.00 -1.26 -3.60 105.19 109.50 1axj n GLY 78 Ca 0.11 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1axj n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1axj s PRO 79 N 0.00 2.64 0.00 1.61 0.04 -1.26 -3.84 135.00 134.19 1axj s PRO 79 Ca 0.00 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1axj s PRO 79 Cb 0.00 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.53 1axj s PRO 79 CO 0.00 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1axj n GLY 80 N 6.73 0.63 3.82 0.56 0.00 -1.05 -4.43 105.19 111.44 1axj n GLY 80 Ca 0.37 0.60 -0.22 0.00 0.00 0.00 0.00 46.02 46.77 1axj n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1axj s THR 81 N 0.00 2.68 0.01 2.61 -1.32 -0.19 -2.68 115.64 116.75 1axj s THR 81 Ca 0.00 -1.48 -0.19 0.00 -1.21 0.00 0.00 61.69 58.81 1axj s THR 81 Cb 0.00 -3.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1axj s THR 81 CO 0.00 -0.04 0.87 0.61 -2.21 0.00 0.00 174.62 173.85 1axj n GLY 82 N -1.40 0.42 3.17 6.08 0.00 -1.26 -1.21 105.19 111.00 1axj n GLY 82 Ca 0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1axj n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1axj s PHE 83 N -2.50 1.17 -0.19 1.61 0.40 -0.42 -0.79 117.98 117.26 1axj s PHE 83 Ca 0.20 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1axj s PHE 83 Cb -0.01 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 1axj s PHE 83 CO 0.00 0.05 0.12 -1.17 0.70 0.00 0.00 175.22 174.92 1axj s LEU 84 N -2.00 4.14 0.05 -0.37 0.20 -0.09 -1.58 118.68 119.02 1axj s LEU 84 Ca 0.01 0.23 -0.00 0.00 0.69 0.00 0.00 54.13 55.05 1axj s LEU 84 Cb -0.08 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 1axj s LEU 84 CO 0.02 0.21 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.62 1axj s ILE 85 N 0.19 0.28 0.06 6.68 1.01 0.75 -1.11 121.20 129.07 1axj s ILE 85 Ca 0.08 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.24 1axj s ILE 85 Cb -0.11 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1axj s ILE 85 CO -0.01 -0.80 -0.12 -0.13 0.00 0.00 0.00 174.94 173.88 1axj s ARG 86 N -3.07 0.74 0.00 2.79 0.52 -0.38 -0.55 118.95 119.00 1axj s ARG 86 Ca 0.00 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.24 1axj s ARG 86 Cb 0.01 -0.67 0.02 0.00 0.52 0.00 0.00 34.95 34.83 1axj s ARG 86 CO -0.06 0.14 0.27 0.41 0.02 0.00 0.00 175.30 176.08 1axj n GLY 87 N 1.30 0.64 3.60 -3.53 0.00 -0.55 -1.53 105.19 105.12 1axj n GLY 87 Ca -0.21 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.60 5.25 0.51 1.61 0.01 -0.33 -1.29 113.70 117.87 1axj s SER 88 Ca 0.06 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.31 1axj s SER 88 Cb -0.00 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 1axj s SER 88 CO 0.00 0.21 0.79 0.00 0.41 0.00 0.00 173.24 174.65 1axj s ALA 89 N 0.11 3.48 -0.29 1.44 0.00 -0.22 -0.59 121.76 125.70 1axj s ALA 89 Ca 0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1axj s ALA 89 Cb -0.13 -2.43 0.12 0.00 0.00 0.00 0.00 23.12 20.68 1axj s ALA 89 CO 0.02 -0.54 0.64 0.00 0.00 0.00 0.00 175.76 175.88 1axj s ALA 90 N -2.78 -2.00 0.07 0.00 0.00 0.98 -4.80 121.76 113.24 1axj s ALA 90 Ca 0.50 2.32 -0.31 0.00 0.00 0.00 0.00 51.96 54.48 1axj s ALA 90 Cb -0.10 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1axj s ALA 90 CO 0.42 -0.87 1.19 -0.06 0.00 0.00 0.00 175.76 176.44 1axj s PHE 91 N 2.78 3.45 -0.05 0.00 0.40 -1.26 -0.97 117.98 122.33 1axj s PHE 91 Ca -0.06 1.33 0.02 0.00 -0.60 0.00 0.00 56.93 57.62 1axj s PHE 91 Cb -0.11 -3.41 0.02 0.00 0.51 0.00 0.00 43.02 40.02 1axj s PHE 91 CO -0.19 -1.22 -0.08 1.03 0.70 0.00 0.00 175.22 175.47 1axj s ARG 92 N 0.91 1.15 -0.23 0.44 1.81 0.23 -4.96 118.95 118.29 1axj s ARG 92 Ca 0.58 -0.24 0.10 0.00 -1.72 0.00 0.00 55.73 54.45 1axj s ARG 92 Cb -0.29 -1.04 0.43 0.00 -0.45 0.00 0.00 34.95 33.60 1axj s ARG 92 CO 0.30 -0.02 1.21 0.25 -0.68 0.00 0.00 175.30 176.36 1axj n THR 93 N 3.85 2.24 -3.54 0.02 -2.24 -1.26 -0.76 114.28 112.59 1axj n THR 93 Ca -0.24 -3.50 -0.11 0.00 -2.27 0.00 0.00 64.05 57.93 1axj n THR 93 Cb 0.52 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.33 -0.45 0.00 3.42 2.15 -1.26 -4.98 116.67 112.21 1axj s ASP 94 Ca 0.42 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1axj s ASP 94 Cb 0.38 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.61 1axj s ASP 94 CO -0.04 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 1axj n GLY 95 N -0.37 -3.17 0.30 2.66 0.00 -1.26 -3.04 105.19 100.32 1axj n GLY 95 Ca -0.14 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.30 1axj n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1axj h PRO 96 N 0.00 0.00 0.50 1.61 0.13 -2.02 -0.72 132.00 131.50 1axj h PRO 96 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1axj h PRO 96 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1axj h PRO 96 CO 0.00 0.00 -0.24 0.93 -0.23 0.00 0.00 178.00 178.46 1axj h GLU 97 N 0.00 -0.65 -0.11 0.86 3.07 -1.99 -0.28 114.58 115.48 1axj h GLU 97 Ca 0.00 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1axj h GLU 97 Cb 0.09 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1axj h GLU 97 CO 0.00 -0.43 -0.00 0.35 -1.40 0.00 0.00 179.01 177.53 1axj h PHE 98 N -0.88 0.15 -0.06 4.33 3.57 -1.38 -1.69 116.94 120.97 1axj h PHE 98 Ca -0.07 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1axj h PHE 98 Cb 0.52 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1axj h PHE 98 CO 0.05 0.16 -0.03 0.93 -2.23 0.00 0.00 178.31 177.19 1axj h GLU 99 N 0.15 0.12 -0.07 1.11 4.39 -1.18 0.33 114.58 119.44 1axj h GLU 99 Ca 0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1axj h GLU 99 Cb 0.11 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1axj h GLU 99 CO 0.00 0.50 0.03 0.00 -1.16 0.00 0.00 179.01 178.38 1axj h ALA 100 N 0.62 1.92 0.00 3.43 0.00 -0.43 -2.16 119.26 122.64 1axj h ALA 100 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1axj h ALA 100 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1axj h ALA 100 CO 0.01 0.07 -1.28 0.44 0.00 0.00 0.00 179.25 178.48 1axj n ILE 101 N -4.51 0.39 -0.16 0.00 -6.64 -0.69 -4.61 119.36 103.14 1axj n ILE 101 Ca -0.02 -0.50 -0.05 0.00 -1.77 0.00 0.00 62.75 60.41 1axj n ILE 101 Cb 0.10 -0.18 0.04 0.00 -1.44 0.00 0.00 39.64 38.16 1axj n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1axj h ALA 102 N 2.07 0.63 0.00 -1.28 0.00 0.36 -1.05 119.26 119.99 1axj h ALA 102 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1axj h ALA 102 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1axj h ALA 102 CO 0.00 -0.07 0.39 0.07 0.00 0.00 0.00 179.25 179.64 1axj h ARG 103 N 0.52 0.00 -7.25 0.00 -0.00 -1.82 -3.43 114.38 102.41 1axj h ARG 103 Ca 0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 59.98 59.79 1axj h ARG 103 Cb 0.09 0.00 0.21 0.00 -0.00 0.00 0.00 29.97 30.26 1axj h ARG 103 CO -0.13 0.00 0.02 -0.06 -0.00 0.00 0.00 179.97 179.80 1axj s PHE 104 N -3.83 -0.27 -0.02 4.08 0.08 -0.40 -5.01 117.98 112.60 1axj s PHE 104 Ca -0.02 0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.49 1axj s PHE 104 Cb 0.06 -3.24 0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1axj s PHE 104 CO 0.20 -4.51 0.86 1.17 -0.10 0.00 0.00 175.22 172.84 1axj n LYS 105 N -5.23 1.48 -0.02 0.44 4.81 -1.26 -4.64 118.16 113.74 1axj n LYS 105 Ca 0.14 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 1axj n LYS 105 Cb 0.60 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.80 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 -0.41 0.00 -2.73 5.64 4.27 -1.26 -5.11 117.44 117.84 1axj n TRP 106 Ca 0.02 -0.11 -0.36 0.00 -3.89 0.00 0.00 57.50 53.16 1axj n TRP 106 Cb 0.43 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.31 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 -0.22 3.17 0.00 -1.67 0.00 -1.26 -4.16 121.76 117.61 1axj s ALA 107 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1axj s ALA 107 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1axj s ALA 107 CO 0.00 0.08 0.00 -2.13 0.00 0.00 0.00 175.76 173.71 1axj n ARG 108 N 0.29 0.84 -3.61 0.00 3.00 0.60 -4.91 116.66 112.87 1axj n ARG 108 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.85 1axj n ARG 108 Cb 0.50 -0.97 -0.02 0.00 0.00 0.00 0.00 32.46 31.98 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 -1.89 -2.14 -0.41 5.13 0.00 -0.68 -5.01 121.76 116.76 1axj s ALA 109 Ca 0.00 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.31 1axj s ALA 109 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1axj s ALA 109 CO 0.00 -0.67 0.39 0.00 0.00 0.00 0.00 175.76 175.48 1axj s ALA 110 N -2.32 3.45 -0.82 0.00 0.00 0.07 -1.42 121.76 120.72 1axj s ALA 110 Ca 0.11 -1.53 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 1axj s ALA 110 Cb 0.00 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.22 1axj s ALA 110 CO -0.04 -1.49 1.14 -1.17 0.00 0.00 0.00 175.76 174.20 1axj s LEU 111 N 2.01 4.27 -0.09 0.00 0.20 0.33 -0.60 118.68 124.79 1axj s LEU 111 Ca 0.10 -1.33 -0.19 0.00 0.69 0.00 0.00 54.13 53.40 1axj s LEU 111 Cb -0.17 -2.46 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1axj s LEU 111 CO 0.12 -1.39 0.53 -0.69 -0.29 0.00 0.00 176.35 174.63 1axj s VAL 112 N 4.03 5.12 -0.07 1.68 1.01 -0.14 -0.85 120.40 131.18 1axj s VAL 112 Ca 0.31 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1axj s VAL 112 Cb -0.09 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1axj s VAL 112 CO 0.01 0.33 -0.14 -0.63 0.00 0.00 0.00 175.10 174.67 1axj s ILE 113 N 0.49 3.06 -0.54 2.22 -1.09 0.14 -0.02 121.20 125.45 1axj s ILE 113 Ca 0.29 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1axj s ILE 113 Cb -0.16 -2.22 0.14 0.00 -1.58 0.00 0.00 42.46 38.64 1axj s ILE 113 CO 0.13 0.57 0.34 -0.89 -1.23 0.00 0.00 174.94 173.86 1axj s THR 114 N -0.45 3.39 0.91 2.92 2.01 0.24 -1.07 115.64 123.59 1axj s THR 114 Ca 0.06 -2.76 -0.10 0.00 0.31 0.00 0.00 61.69 59.20 1axj s THR 114 Cb -0.12 -3.27 0.14 0.00 0.01 0.00 0.00 72.50 69.26 1axj s THR 114 CO 0.02 -0.81 1.14 -0.69 -0.69 0.00 0.00 174.62 173.59 1axj s VAL 115 N 0.25 2.19 0.12 3.82 1.01 -1.26 -1.19 120.40 125.33 1axj s VAL 115 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1axj s VAL 115 Cb -0.22 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1axj s VAL 115 CO -0.03 -0.08 0.00 0.52 0.00 0.00 0.00 175.10 175.51 1axj n VAL 116 N -4.18 0.63 -3.74 2.92 0.31 -0.58 -4.89 118.33 108.80 1axj n VAL 116 Ca 0.11 0.21 -0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1axj n VAL 116 Cb 0.52 -1.25 -0.16 0.00 -0.91 0.00 0.00 33.84 32.04 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 -5.51 0.31 -0.03 4.52 0.01 -1.17 -4.79 113.70 107.03 1axj s SER 117 Ca 0.00 0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.44 1axj s SER 117 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 1axj s SER 117 CO 0.00 -0.17 -0.22 0.00 0.41 0.00 0.00 173.24 173.26 1axj s ALA 118 N 1.41 2.32 -0.03 1.44 0.00 -1.26 -1.25 121.76 124.39 1axj s ALA 118 Ca -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1axj s ALA 118 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1axj s ALA 118 CO -0.04 0.52 0.08 -1.83 0.00 0.00 0.00 175.76 174.50 1axj s GLU 119 N -0.58 0.09 0.19 0.00 1.03 -0.27 -4.77 118.70 114.39 1axj s GLU 119 Ca 0.09 0.12 -0.30 0.00 0.03 0.00 0.00 54.97 54.91 1axj s GLU 119 Cb -0.11 0.03 -0.08 0.00 -0.80 0.00 0.00 34.13 33.18 1axj s GLU 119 CO 0.00 -0.02 1.19 -1.14 -1.33 0.00 0.00 175.26 173.96 1axj s GLN 120 N 0.09 4.50 0.29 -4.83 0.74 -1.26 -0.92 119.66 118.27 1axj s GLN 120 Ca -0.00 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.27 1axj s GLN 120 Cb -0.01 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1axj s GLN 120 CO -0.00 -0.07 0.00 0.25 -0.55 0.00 0.00 175.29 174.92 1axj n THR 121 N 2.45 0.00 1.80 -0.34 -2.24 0.03 -4.87 114.28 111.12 1axj n THR 121 Ca 0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1axj n THR 121 Cb 0.45 -0.42 0.78 0.00 -2.10 0.00 0.00 70.33 69.04 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50