#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 2.38 0.69 4.03 1.43 -1.26 -4.22 118.68 121.72 1axj s LEU 2 Ca 0.00 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.19 1axj s LEU 2 Cb 0.00 0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.33 1axj s LEU 2 CO 0.00 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 1axj s PRO 3 N -2.79 2.74 0.29 1.29 0.04 -1.26 -4.95 135.00 130.36 1axj s PRO 3 Ca -0.02 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 1axj s PRO 3 Cb -0.01 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 33.00 1axj s PRO 3 CO -0.05 -1.27 1.94 0.78 0.04 0.00 0.00 177.00 178.44 1axj h GLY 4 N -0.35 1.29 -0.09 0.56 0.00 -2.01 -1.56 103.07 100.90 1axj h GLY 4 Ca -0.45 -0.45 0.24 0.00 0.00 0.00 0.00 47.33 46.66 1axj h GLY 4 CO 0.54 0.41 0.62 -0.84 0.00 0.00 0.00 176.54 177.27 1axj h THR 5 N 1.16 0.56 -0.26 4.70 2.02 -1.98 -0.26 112.91 118.86 1axj h THR 5 Ca 0.35 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.40 1axj h THR 5 Cb -0.03 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.27 1axj h THR 5 CO -0.10 0.10 -0.23 0.15 0.37 0.00 0.00 175.52 175.82 1axj h PHE 6 N 0.56 -0.60 -0.33 3.16 3.57 -1.65 0.28 116.94 121.94 1axj h PHE 6 Ca 0.62 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.20 1axj h PHE 6 Cb 1.24 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.24 1axj h PHE 6 CO -0.00 -0.30 0.07 0.74 -2.23 0.00 0.00 178.31 176.58 1axj h PHE 7 N -0.22 0.11 -0.53 0.41 -1.00 -1.18 -1.51 116.94 113.02 1axj h PHE 7 Ca 0.14 0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.00 1axj h PHE 7 Cb 0.44 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1axj h PHE 7 CO -0.39 0.02 0.35 0.93 -1.61 0.00 0.00 178.31 177.61 1axj h GLU 8 N 0.18 0.48 -0.20 1.51 4.39 -0.74 -0.77 114.58 119.43 1axj h GLU 8 Ca 0.15 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1axj h GLU 8 Cb 0.17 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1axj h GLU 8 CO -0.20 0.32 -0.15 0.28 -1.16 0.00 0.00 179.01 178.10 1axj h VAL 9 N 0.50 1.32 -0.78 3.13 2.07 -0.10 -3.13 116.25 119.26 1axj h VAL 9 Ca 0.23 -1.26 0.11 0.00 0.82 0.00 0.00 66.70 66.59 1axj h VAL 9 Cb 0.26 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1axj h VAL 9 CO -0.06 0.38 0.41 -0.07 0.02 0.00 0.00 177.57 178.25 1axj h LEU 10 N 0.13 0.53 -1.66 2.57 -0.00 -0.52 -0.52 115.31 115.84 1axj h LEU 10 Ca 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1axj h LEU 10 Cb 0.67 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1axj h LEU 10 CO 0.04 0.28 0.39 0.11 -0.00 0.00 0.00 178.44 179.27 1axj h LYS 11 N 0.66 0.00 -6.16 1.13 1.57 -1.11 -3.44 116.57 109.22 1axj h LYS 11 Ca 0.39 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.62 1axj h LYS 11 Cb 0.45 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1axj h LYS 11 CO -0.29 0.00 -0.60 -0.80 -0.57 0.00 0.00 179.45 177.19 1axj s ASN 12 N -4.16 4.64 0.10 0.86 0.01 -0.21 -5.10 114.94 111.09 1axj s ASN 12 Ca -0.03 -0.68 -0.30 0.00 -0.71 0.00 0.00 52.86 51.14 1axj s ASN 12 Cb 0.07 -0.83 -0.06 0.00 0.41 0.00 0.00 41.25 40.84 1axj s ASN 12 CO 0.23 -0.11 1.20 -0.70 -1.51 0.00 0.00 177.10 176.21 1axj s GLU 13 N -3.75 4.45 -0.12 -0.60 -6.30 -1.26 -4.69 118.70 106.43 1axj s GLU 13 Ca 0.34 1.81 -0.33 0.00 -2.50 0.00 0.00 54.97 54.28 1axj s GLU 13 Cb -0.05 -3.31 0.13 0.00 0.00 0.00 0.00 34.13 30.91 1axj s GLU 13 CO 0.21 -0.21 1.28 0.20 0.02 0.00 0.00 175.26 176.77 1axj s GLY 14 N 0.76 -0.35 0.44 -1.50 0.00 -1.26 -1.62 107.32 103.79 1axj s GLY 14 Ca 0.57 1.20 -0.20 0.00 0.00 0.00 0.00 44.72 46.29 1axj s GLY 14 CO 0.31 0.34 0.96 0.14 0.00 0.00 0.00 173.10 174.85 1axj s VAL 15 N -2.34 4.38 0.13 1.40 1.01 -1.26 -1.39 120.40 122.33 1axj s VAL 15 Ca 0.12 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.56 1axj s VAL 15 Cb 0.02 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1axj s VAL 15 CO -0.04 -0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 173.96 1axj s VAL 16 N -2.23 0.73 0.13 2.92 1.01 0.55 -2.00 120.40 121.50 1axj s VAL 16 Ca 0.62 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 1axj s VAL 16 Cb -0.09 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1axj s VAL 16 CO 0.16 -0.73 0.39 0.00 0.00 0.00 0.00 175.10 174.91 1axj s ALA 17 N -3.61 -0.84 -0.06 5.51 0.00 0.58 -0.94 121.76 122.40 1axj s ALA 17 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1axj s ALA 17 Cb 0.05 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1axj s ALA 17 CO -0.01 -0.65 0.05 0.42 0.00 0.00 0.00 175.76 175.57 1axj s ILE 18 N -3.82 0.03 -0.48 0.00 1.01 -0.39 -0.81 121.20 116.74 1axj s ILE 18 Ca 0.04 0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 1axj s ILE 18 Cb 0.02 -0.31 0.03 0.00 0.01 0.00 0.00 42.46 42.21 1axj s ILE 18 CO -0.11 0.15 0.79 0.00 0.00 0.00 0.00 174.94 175.77 1axj s ALA 19 N 2.11 3.27 -0.32 9.38 0.00 0.11 -1.09 121.76 135.23 1axj s ALA 19 Ca 0.05 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 1axj s ALA 19 Cb -0.13 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1axj s ALA 19 CO -0.04 -2.04 0.67 0.99 0.00 0.00 0.00 175.76 175.34 1axj s THR 20 N 3.34 4.88 0.31 0.00 2.01 -0.03 -0.98 115.64 125.18 1axj s THR 20 Ca 0.28 0.88 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 1axj s THR 20 Cb -0.13 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1axj s THR 20 CO 0.20 -0.21 1.12 -1.58 -0.69 0.00 0.00 174.62 173.46 1axj s GLN 21 N 2.73 4.49 0.00 4.92 2.00 -0.65 -0.63 119.66 132.52 1axj s GLN 21 Ca 0.27 1.81 0.00 0.00 -2.00 0.00 0.00 55.36 55.44 1axj s GLN 21 Cb -0.15 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.62 1axj s GLN 21 CO 0.13 0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.40 1axj n GLY 22 N 0.99 0.14 1.65 2.59 0.00 -1.26 -4.05 105.19 105.24 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 -0.87 0.00 -0.49 1.61 2.13 -1.26 -4.25 120.64 117.50 1axj n GLU 23 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1axj n GLU 23 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 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 -2.35 4.93 0.00 4.31 5.75 -1.26 -4.84 116.55 123.09 1axj n ASP 24 Ca 0.00 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1axj n ASP 24 Cb 0.00 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 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 1.60 -1.17 3.77 6.12 0.00 -1.26 -4.96 105.19 109.29 1axj n GLY 25 Ca 0.02 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.86 3.36 -0.47 1.61 0.04 -1.26 -4.07 135.00 130.35 1axj s PRO 26 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1axj s PRO 26 Cb 0.00 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.59 1axj s PRO 26 CO 0.00 -0.86 0.30 -1.58 0.04 0.00 0.00 177.00 174.90 1axj s HIS 27 N -1.69 3.52 -1.02 0.56 2.46 0.20 -4.80 115.29 114.52 1axj s HIS 27 Ca 0.72 -2.31 -0.22 0.00 0.47 0.00 0.00 55.06 53.73 1axj s HIS 27 Cb -0.26 -3.32 0.07 0.00 -0.13 0.00 0.00 32.58 28.94 1axj s HIS 27 CO 0.30 -0.96 1.40 -1.17 -2.47 0.00 0.00 174.74 171.84 1axj s LEU 28 N 0.97 3.87 0.70 8.88 2.96 -1.25 -0.85 118.68 133.96 1axj s LEU 28 Ca 0.09 -1.66 -0.08 0.00 -0.22 0.00 0.00 54.13 52.27 1axj s LEU 28 Cb -0.23 -2.53 0.05 0.00 0.50 0.00 0.00 46.19 43.98 1axj s LEU 28 CO -0.03 -1.38 1.03 0.68 -1.32 0.00 0.00 176.35 175.32 1axj s VAL 29 N 4.40 2.54 0.33 1.68 -7.23 -0.25 -4.84 120.40 117.03 1axj s VAL 29 Ca 0.44 -0.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.55 1axj s VAL 29 Cb -0.01 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 1axj s VAL 29 CO -0.09 -0.12 -0.06 0.20 -0.31 0.00 0.00 175.10 174.73 1axj s ASN 30 N -4.48 3.38 0.17 4.85 0.02 -1.26 -1.26 114.94 116.34 1axj s ASN 30 Ca 0.59 -1.24 -0.23 0.00 -1.02 0.00 0.00 52.86 50.96 1axj s ASN 30 Cb -0.11 -0.29 0.08 0.00 0.02 0.00 0.00 41.25 40.95 1axj s ASN 30 CO 0.46 -0.31 1.04 0.28 0.02 0.00 0.00 177.10 178.58 1axj s THR 31 N -2.79 0.00 0.00 1.60 -1.32 -0.12 -4.90 115.64 108.11 1axj s THR 31 Ca 0.32 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.30 1axj s THR 31 Cb 0.04 -2.66 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1axj s THR 31 CO 0.15 0.00 -0.25 0.26 -2.21 0.00 0.00 174.62 172.58 1axj s TRP 32 N -2.42 2.20 0.49 9.09 0.52 -1.26 -0.33 118.94 127.23 1axj s TRP 32 Ca 0.20 -0.41 0.20 0.00 0.02 0.00 0.00 56.10 56.11 1axj s TRP 32 Cb -0.02 -1.38 1.25 0.00 -1.15 0.00 0.00 33.47 32.17 1axj s TRP 32 CO 0.04 0.02 2.00 -0.91 0.02 0.00 0.00 176.95 178.12 1axj h ASN 33 N 5.27 0.14 0.02 2.95 2.35 -1.51 -1.79 115.58 123.02 1axj h ASN 33 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1axj h ASN 33 Cb 1.13 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1axj h ASN 33 CO 0.46 0.08 0.00 -0.24 -1.65 0.00 0.00 177.43 176.08 1axj n SER 34 N -4.43 0.00 -0.05 5.81 2.88 -1.26 -1.73 113.62 114.84 1axj n SER 34 Ca 0.09 0.44 0.01 0.00 -1.33 0.00 0.00 58.87 58.08 1axj n SER 34 Cb 0.48 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.44 0.00 -3.76 0.66 4.01 -0.67 -5.07 117.16 110.88 1axj n TYR 35 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1axj n TYR 35 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.33 3.91 0.00 7.72 1.43 -0.70 -4.39 118.68 126.32 1axj s LEU 36 Ca 0.02 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1axj s LEU 36 Cb 0.01 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 1axj s LEU 36 CO 0.02 -0.28 -0.05 -1.59 0.23 0.00 0.00 176.35 174.68 1axj s LYS 37 N -4.04 0.41 -0.10 1.70 -2.85 -0.73 -5.02 119.74 109.12 1axj s LYS 37 Ca 0.40 -0.26 -0.06 0.00 -1.00 0.00 0.00 55.97 55.04 1axj s LYS 37 Cb -0.08 -0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.29 1axj s LYS 37 CO 0.28 0.09 0.16 0.08 0.10 0.00 0.00 175.35 176.06 1axj s VAL 38 N -0.31 5.48 0.41 1.79 1.01 -1.26 -0.67 120.40 126.85 1axj s VAL 38 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1axj s VAL 38 Cb -0.03 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1axj s VAL 38 CO -0.00 0.57 0.02 0.18 0.00 0.00 0.00 175.10 175.86 1axj n LEU 39 N 1.79 0.00 -4.58 3.92 4.77 0.53 -4.98 117.00 118.45 1axj n LEU 39 Ca -0.18 -2.66 -0.30 0.00 -0.03 0.00 0.00 56.01 52.84 1axj n LEU 39 Cb 0.54 0.37 0.21 0.00 -2.33 0.00 0.00 43.42 42.22 1axj n LEU 39 CO 0.33 -0.38 0.59 -0.62 -1.33 0.00 0.00 177.39 175.99 1axj s ASP 40 N -3.31 1.88 -1.20 -1.43 2.15 -1.26 -3.29 116.67 110.21 1axj s ASP 40 Ca 0.02 1.84 0.00 0.00 0.43 0.00 0.00 52.55 54.85 1axj s ASP 40 Cb 0.00 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1axj s ASP 40 CO 0.02 -3.69 0.00 0.61 -0.17 0.00 0.00 175.17 171.93 1axj n GLY 41 N 0.52 -0.18 2.16 2.66 0.00 -1.26 -1.41 105.19 107.68 1axj n GLY 41 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.60 -3.85 -4.72 1.61 2.04 -1.21 -4.87 115.26 102.66 1axj n ASN 42 Ca -0.16 0.31 -0.42 0.00 -0.44 0.00 0.00 54.58 53.87 1axj n ASN 42 Cb 0.59 -3.49 -0.03 0.00 -2.53 0.00 0.00 39.78 34.32 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 -3.59 4.46 0.28 -3.83 3.52 -0.50 -4.28 118.95 115.01 1axj s ARG 43 Ca 0.00 1.80 0.10 0.00 -0.13 0.00 0.00 55.73 57.49 1axj s ARG 43 Cb 0.00 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1axj s ARG 43 CO 0.00 -0.18 -0.01 0.42 -0.81 0.00 0.00 175.30 174.72 1axj s ILE 44 N 0.64 3.19 -0.01 4.11 -1.09 0.01 -0.35 121.20 127.70 1axj s ILE 44 Ca 0.56 -1.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.02 1axj s ILE 44 Cb -0.30 -2.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1axj s ILE 44 CO 0.32 -0.34 0.03 -0.69 -1.23 0.00 0.00 174.94 173.03 1axj s VAL 45 N -2.38 -0.01 -0.07 2.92 1.01 0.16 -0.70 120.40 121.33 1axj s VAL 45 Ca 0.32 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1axj s VAL 45 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 1axj s VAL 45 CO 0.19 0.01 -0.20 -0.69 0.00 0.00 0.00 175.10 174.41 1axj s VAL 46 N 0.17 1.73 -0.09 2.92 1.01 -0.26 -1.77 120.40 124.11 1axj s VAL 46 Ca -0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1axj s VAL 46 Cb -0.02 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1axj s VAL 46 CO -0.00 0.49 1.27 -2.84 0.00 0.00 0.00 175.10 174.01 1axj s PRO 47 N 0.15 4.29 -0.41 2.72 0.02 -1.26 -0.57 135.00 139.94 1axj s PRO 47 Ca -0.09 1.73 -0.25 0.00 0.02 0.00 0.00 61.00 62.41 1axj s PRO 47 Cb -0.14 -3.65 0.02 0.00 0.02 0.00 0.00 34.50 30.75 1axj s PRO 47 CO 0.05 -0.57 0.90 0.54 -0.33 0.00 0.00 177.00 177.59 1axj s VAL 48 N 2.76 4.55 -0.03 3.83 0.11 -0.26 -4.87 120.40 126.50 1axj s VAL 48 Ca 0.57 0.92 0.15 0.00 -2.93 0.00 0.00 61.98 60.69 1axj s VAL 48 Cb -0.25 -4.37 -0.22 0.00 -1.53 0.00 0.00 36.38 30.01 1axj s VAL 48 CO 0.20 -0.67 0.30 0.61 -3.33 0.00 0.00 175.10 172.21 1axj n GLY 49 N 4.68 -0.67 2.05 6.54 0.00 -1.26 -0.40 105.19 116.13 1axj n GLY 49 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 1.71 0.43 3.03 -0.02 0.00 -1.26 -4.88 105.19 104.19 1axj n GLY 50 Ca -0.04 -0.08 -0.43 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 -0.73 4.33 0.06 1.61 2.81 -1.26 -4.90 117.12 119.03 1axj n MET 51 Ca -0.08 -4.47 -0.02 0.00 -1.81 0.00 0.00 57.70 51.31 1axj n MET 51 Cb 0.68 -2.55 -0.01 0.00 -0.71 0.00 0.00 33.22 30.63 1axj n MET 51 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1axj h HIS 52 N 5.58 -0.15 -0.98 2.03 3.86 -1.99 -0.84 115.15 122.66 1axj h HIS 52 Ca 0.21 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.60 1axj h HIS 52 Cb 0.64 0.05 -0.09 0.00 1.06 0.00 0.00 27.41 29.06 1axj h HIS 52 CO 1.01 -0.09 0.61 -0.22 0.86 0.00 0.00 177.93 180.10 1axj h LYS 53 N -0.30 0.71 -0.64 2.45 3.11 -1.99 0.10 116.57 120.01 1axj h LYS 53 Ca -0.02 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1axj h LYS 53 Cb 0.12 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.16 1axj h LYS 53 CO 0.03 0.47 0.14 1.15 -2.81 0.00 0.00 179.45 178.42 1axj h THR 54 N 0.73 1.25 -0.69 1.00 2.02 -1.95 0.14 112.91 115.41 1axj h THR 54 Ca 0.54 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.82 1axj h THR 54 Cb 0.89 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1axj h THR 54 CO -0.32 0.36 0.40 -0.08 0.37 0.00 0.00 175.52 176.25 1axj h GLU 55 N 0.97 0.74 -0.46 6.66 4.81 0.51 -0.07 114.58 127.74 1axj h GLU 55 Ca 0.20 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1axj h GLU 55 Cb 0.37 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1axj h GLU 55 CO 0.00 0.49 0.18 0.00 -0.73 0.00 0.00 179.01 178.95 1axj h ALA 56 N 1.33 0.60 -0.86 2.92 0.00 -0.97 -1.84 119.26 120.43 1axj h ALA 56 Ca 0.30 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1axj h ALA 56 Cb 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1axj h ALA 56 CO -0.15 0.21 0.52 -0.91 0.00 0.00 0.00 179.25 178.92 1axj h ASN 57 N 0.60 0.80 -0.14 0.00 4.21 -0.04 0.65 115.58 121.66 1axj h ASN 57 Ca 0.15 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 1axj h ASN 57 Cb 0.21 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1axj h ASN 57 CO -0.01 0.49 0.04 0.58 -1.29 0.00 0.00 177.43 177.24 1axj h VAL 58 N 0.92 1.18 -0.15 2.81 2.07 -0.86 0.16 116.25 122.39 1axj h VAL 58 Ca 0.39 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1axj h VAL 58 Cb 0.25 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1axj h VAL 58 CO -0.20 0.17 0.25 0.00 0.02 0.00 0.00 177.57 177.81 1axj h ALA 59 N 0.86 1.64 0.07 1.67 0.00 -0.72 -2.95 119.26 119.83 1axj h ALA 59 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1axj h ALA 59 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1axj h ALA 59 CO -0.00 -0.33 -1.17 0.00 0.00 0.00 0.00 179.25 177.75 1axj h ARG 60 N 0.00 0.15 -2.65 0.00 2.47 0.40 -3.48 114.38 111.28 1axj h ARG 60 Ca 0.07 -0.26 -0.12 0.00 -1.26 0.00 0.00 59.98 58.42 1axj h ARG 60 Cb 0.57 0.10 -0.27 0.00 -1.65 0.00 0.00 29.97 28.72 1axj h ARG 60 CO -0.00 1.12 -0.31 0.34 0.56 0.00 0.00 179.97 181.69 1axj s ASP 61 N -6.87 -0.49 0.36 7.04 2.15 0.45 -4.97 116.67 114.34 1axj s ASP 61 Ca -0.22 0.89 0.26 0.00 0.43 0.00 0.00 52.55 53.91 1axj s ASP 61 Cb 0.04 0.79 0.80 0.00 -0.30 0.00 0.00 42.92 44.25 1axj s ASP 61 CO 0.71 -0.20 1.75 1.05 -0.17 0.00 0.00 175.17 178.32 1axj h GLU 62 N 7.19 0.00 -6.67 4.34 -0.00 -1.82 -3.36 114.58 114.26 1axj h GLU 62 Ca -0.36 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.48 1axj h GLU 62 Cb 1.18 0.00 0.06 0.00 -0.00 0.00 0.00 28.75 29.99 1axj h GLU 62 CO 0.29 0.00 0.95 1.03 -0.00 0.00 0.00 179.01 181.27 1axj s ARG 63 N -3.29 4.15 0.04 1.06 3.00 -1.26 -0.45 118.95 122.21 1axj s ARG 63 Ca 0.06 2.52 -0.02 0.00 0.00 0.00 0.00 55.73 58.29 1axj s ARG 63 Cb 0.09 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.92 1axj s ARG 63 CO 0.58 -0.68 0.02 0.14 0.00 0.00 0.00 175.30 175.35 1axj s VAL 64 N 0.93 0.16 0.11 3.52 -7.23 0.06 -1.64 120.40 116.31 1axj s VAL 64 Ca 0.71 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1axj s VAL 64 Cb -0.47 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1axj s VAL 64 CO 0.35 -0.74 0.22 -0.22 -0.31 0.00 0.00 175.10 174.39 1axj s LEU 65 N -2.32 4.23 -0.06 1.32 2.96 -0.15 -1.54 118.68 123.12 1axj s LEU 65 Ca -0.02 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1axj s LEU 65 Cb 0.01 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.90 1axj s LEU 65 CO -0.06 0.11 0.05 -0.32 -1.32 0.00 0.00 176.35 174.81 1axj s MET 66 N -2.86 0.10 -0.16 1.98 -2.45 0.26 -0.71 119.30 115.46 1axj s MET 66 Ca 0.34 0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 55.01 1axj s MET 66 Cb -0.12 -0.78 -0.02 0.00 1.25 0.00 0.00 34.83 35.17 1axj s MET 66 CO 0.27 -0.37 -0.06 0.95 1.05 0.00 0.00 175.02 176.86 1axj s THR 67 N 2.12 3.55 0.41 10.11 -4.23 0.01 -0.25 115.64 127.36 1axj s THR 67 Ca 0.05 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1axj s THR 67 Cb -0.13 -2.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 1axj s THR 67 CO -0.04 0.49 0.10 -1.48 -0.54 0.00 0.00 174.62 173.15 1axj s LEU 68 N 0.57 2.99 0.00 4.79 2.34 -0.59 -0.31 118.68 128.46 1axj s LEU 68 Ca -0.04 -1.23 -0.15 0.00 0.06 0.00 0.00 54.13 52.77 1axj s LEU 68 Cb -0.15 -1.17 0.05 0.00 -0.56 0.00 0.00 46.19 44.36 1axj s LEU 68 CO 0.03 -0.51 0.74 0.61 -1.06 0.00 0.00 176.35 176.16 1axj n GLY 69 N -1.12 0.80 3.15 -3.48 0.00 -0.85 -1.55 105.19 102.14 1axj n GLY 69 Ca -0.03 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.74 -0.08 0.00 1.61 0.15 0.45 -4.11 113.70 108.98 1axj s SER 70 Ca 0.16 -0.03 0.22 0.00 0.70 0.00 0.00 55.95 57.00 1axj s SER 70 Cb -0.02 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1axj s SER 70 CO 0.04 -0.36 1.04 0.54 1.20 0.00 0.00 173.24 175.70 1axj n ARG 71 N 1.56 0.47 0.01 5.44 1.74 -0.64 -1.79 116.66 123.44 1axj n ARG 71 Ca -0.21 -0.38 0.12 0.00 -0.77 0.00 0.00 57.85 56.61 1axj n ARG 71 Cb 0.56 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.94 0.08 -4.48 5.56 4.76 -1.24 -4.78 118.16 117.11 1axj n LYS 72 Ca 0.06 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.31 1axj n LYS 72 Cb 0.38 -1.54 -0.15 0.00 -1.84 0.00 0.00 35.03 31.88 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1axj s VAL 73 N -3.05 0.88 0.02 -0.18 1.01 -1.26 -5.03 120.40 112.78 1axj s VAL 73 Ca 0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1axj s VAL 73 Cb 0.16 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1axj s VAL 73 CO 0.73 0.25 1.02 0.00 0.00 0.00 0.00 175.10 177.10 1axj s ALA 74 N -0.15 3.20 0.00 5.51 0.00 -1.26 -1.11 121.76 127.95 1axj s ALA 74 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1axj s ALA 74 Cb -0.06 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1axj s ALA 74 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1axj n GLY 75 N 2.92 2.06 0.00 0.00 0.00 -0.67 -4.56 105.19 104.93 1axj n GLY 75 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1axj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1axj n ARG 76 N 0.00 0.00 -2.26 1.61 5.12 -1.19 -4.87 116.66 115.08 1axj n ARG 76 Ca 0.00 0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.54 1axj n ARG 76 Cb 0.00 -0.27 -0.03 0.00 -1.16 0.00 0.00 32.46 31.00 1axj n ARG 76 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1axj s ASN 77 N -1.36 5.92 0.94 0.55 2.20 -1.26 -4.81 114.94 117.13 1axj s ASN 77 Ca 0.00 0.48 0.00 0.00 -0.94 0.00 0.00 52.86 52.40 1axj s ASN 77 Cb 0.00 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 1axj s ASN 77 CO 0.00 -1.84 0.00 0.61 -2.94 0.00 0.00 177.10 172.93 1axj n GLY 78 N 5.37 -0.74 2.65 0.45 0.00 -1.26 -3.53 105.19 108.14 1axj n GLY 78 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.62 2.50 -3.67 1.61 -0.04 -1.26 -3.44 135.00 129.08 1axj n PRO 79 Ca 0.00 -1.91 -0.12 0.00 -0.04 0.00 0.00 63.50 61.43 1axj n PRO 79 Cb 0.00 -2.77 -0.12 0.00 -0.04 0.00 0.00 33.50 30.57 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 3.39 -0.21 0.46 0.55 0.00 -1.06 -4.28 107.32 106.17 1axj s GLY 80 Ca 0.52 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.46 1axj s GLY 80 CO -0.02 2.03 0.16 -1.08 0.00 0.00 0.00 173.10 174.19 1axj s THR 81 N 2.32 1.90 -2.67 0.90 -1.32 -0.27 -1.67 115.64 114.83 1axj s THR 81 Ca -0.01 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.70 1axj s THR 81 Cb -0.12 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1axj s THR 81 CO -0.10 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1axj n GLY 82 N -1.30 -1.57 3.28 6.08 0.00 -1.26 -0.41 105.19 110.01 1axj n GLY 82 Ca -0.06 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.67 -0.13 -0.19 1.61 0.40 -0.60 -4.57 117.98 111.83 1axj s PHE 83 Ca 0.00 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1axj s PHE 83 Cb 0.00 0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.63 1axj s PHE 83 CO 0.00 -0.59 0.10 -1.17 0.70 0.00 0.00 175.22 174.26 1axj s LEU 84 N -2.42 4.07 0.07 -0.37 0.20 0.18 -1.55 118.68 118.86 1axj s LEU 84 Ca -0.01 0.19 0.02 0.00 0.69 0.00 0.00 54.13 55.02 1axj s LEU 84 Cb 0.01 -2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 1axj s LEU 84 CO -0.07 0.20 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.48 1axj s ILE 85 N 0.24 0.65 0.03 6.68 1.01 0.65 -0.86 121.20 129.59 1axj s ILE 85 Ca 0.07 -1.53 0.06 0.00 0.00 0.00 0.00 60.65 59.25 1axj s ILE 85 Cb -0.12 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1axj s ILE 85 CO -0.01 -0.63 -0.18 -0.13 0.00 0.00 0.00 174.94 174.00 1axj s ARG 86 N -2.74 1.25 0.00 2.79 0.52 -0.36 -0.57 118.95 119.83 1axj s ARG 86 Ca 0.02 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 1axj s ARG 86 Cb -0.02 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.16 1axj s ARG 86 CO -0.02 0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.04 1axj n GLY 87 N 2.07 0.68 3.30 -3.53 0.00 -0.59 -1.36 105.19 105.76 1axj n GLY 87 Ca -0.17 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 0.47 2.92 0.46 1.61 0.01 -0.58 -0.76 113.70 117.83 1axj s SER 88 Ca 0.00 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 1axj s SER 88 Cb 0.00 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1axj s SER 88 CO 0.00 0.25 0.73 0.00 0.41 0.00 0.00 173.24 174.63 1axj s ALA 89 N -0.72 3.52 -0.30 1.44 0.00 0.41 0.00 121.76 126.12 1axj s ALA 89 Ca 0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1axj s ALA 89 Cb -0.10 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.80 1axj s ALA 89 CO 0.01 -0.36 0.62 0.00 0.00 0.00 0.00 175.76 176.02 1axj s ALA 90 N -2.65 -2.13 0.20 0.00 0.00 0.50 -4.83 121.76 112.85 1axj s ALA 90 Ca 0.47 2.05 -0.30 0.00 0.00 0.00 0.00 51.96 54.18 1axj s ALA 90 Cb -0.10 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 1axj s ALA 90 CO 0.41 -1.15 1.13 -0.06 0.00 0.00 0.00 175.76 176.10 1axj s PHE 91 N 2.87 3.54 -0.01 0.00 0.08 -1.26 -1.04 117.98 122.16 1axj s PHE 91 Ca 0.09 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1axj s PHE 91 Cb -0.14 -3.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.00 1axj s PHE 91 CO -0.20 -0.76 -0.00 1.03 -0.10 0.00 0.00 175.22 175.19 1axj s ARG 92 N -0.50 0.09 -0.27 0.44 1.81 0.06 -4.95 118.95 115.62 1axj s ARG 92 Ca 0.49 0.01 0.08 0.00 -1.72 0.00 0.00 55.73 54.60 1axj s ARG 92 Cb -0.31 -0.16 0.45 0.00 -0.45 0.00 0.00 34.95 34.49 1axj s ARG 92 CO 0.36 -0.02 1.19 0.25 -0.68 0.00 0.00 175.30 176.40 1axj n THR 93 N 3.35 2.41 -3.47 0.02 -2.24 -1.26 -0.62 114.28 112.47 1axj n THR 93 Ca -0.16 -3.97 -0.12 0.00 -2.27 0.00 0.00 64.05 57.52 1axj n THR 93 Cb 0.57 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.53 -0.52 0.00 3.42 2.15 -1.26 -5.00 116.67 111.93 1axj s ASP 94 Ca 0.48 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1axj s ASP 94 Cb 0.40 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.59 1axj s ASP 94 CO 0.02 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.71 1axj n GLY 95 N -0.22 -0.56 0.30 2.66 0.00 -1.26 -2.82 105.19 103.29 1axj n GLY 95 Ca -0.17 -1.77 0.19 0.00 0.00 0.00 0.00 46.02 44.27 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 0.35 1.61 0.13 -2.02 -0.00 132.00 132.06 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 -0.17 0.93 -0.23 0.00 0.00 178.00 178.53 1axj h GLU 97 N 0.00 -0.45 -0.17 0.86 3.07 -1.99 -1.51 114.58 114.39 1axj h GLU 97 Ca 0.00 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1axj h GLU 97 Cb 0.25 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1axj h GLU 97 CO 0.00 -0.30 0.03 0.35 -1.40 0.00 0.00 179.01 177.69 1axj h PHE 98 N -0.54 0.23 0.24 4.33 3.57 -1.31 -1.82 116.94 121.63 1axj h PHE 98 Ca -0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1axj h PHE 98 Cb 0.36 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1axj h PHE 98 CO 0.11 0.22 -0.11 0.93 -2.23 0.00 0.00 178.31 177.23 1axj h GLU 99 N 0.24 -0.31 -0.06 1.11 4.39 -1.06 0.28 114.58 119.17 1axj h GLU 99 Ca 0.06 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1axj h GLU 99 Cb 0.12 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1axj h GLU 99 CO -0.00 0.05 -0.02 0.00 -1.16 0.00 0.00 179.01 177.88 1axj h ALA 100 N -0.13 1.86 0.00 3.43 0.00 -1.03 -0.76 119.26 122.63 1axj h ALA 100 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1axj h ALA 100 Cb 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1axj h ALA 100 CO 0.05 0.11 -0.57 -0.84 0.00 0.00 0.00 179.25 178.01 1axj h ILE 101 N 0.09 0.09 -0.57 0.00 -0.00 -1.21 -3.40 117.51 112.50 1axj h ILE 101 Ca 0.02 -1.14 -0.00 0.00 -0.00 0.00 0.00 64.86 63.74 1axj h ILE 101 Cb 0.10 1.80 -0.03 0.00 -0.00 0.00 0.00 36.82 38.69 1axj h ILE 101 CO 0.00 0.05 0.35 0.00 -0.00 0.00 0.00 178.15 178.56 1axj h ALA 102 N 1.93 0.73 0.00 0.16 0.00 0.11 -1.54 119.26 120.66 1axj h ALA 102 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1axj h ALA 102 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1axj h ALA 102 CO 0.01 0.20 0.37 0.07 0.00 0.00 0.00 179.25 179.91 1axj h ARG 103 N 0.78 0.00 0.00 0.00 -0.00 -1.77 -3.42 114.38 109.97 1axj h ARG 103 Ca 0.21 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.85 1axj h ARG 103 Cb -0.03 0.00 0.20 0.00 -0.00 0.00 0.00 29.97 30.14 1axj h ARG 103 CO -0.04 0.00 -0.13 1.19 -0.00 0.00 0.00 179.97 180.99 1axj n PHE 104 N -2.54 -3.67 -1.05 4.08 3.01 -0.58 -5.00 117.46 111.70 1axj n PHE 104 Ca -0.01 -0.76 0.04 0.00 1.01 0.00 0.00 57.45 57.72 1axj n PHE 104 Cb 0.41 -1.13 0.05 0.00 -0.01 0.00 0.00 39.48 38.79 1axj n PHE 104 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1axj n LYS 105 N -5.41 1.13 -0.10 -1.08 4.81 -1.26 -4.59 118.16 111.65 1axj n LYS 105 Ca 0.13 -1.59 0.00 0.00 -0.87 0.00 0.00 58.31 55.98 1axj n LYS 105 Cb 0.55 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.63 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 -0.62 0.00 -2.71 5.64 4.27 -1.26 -5.11 117.44 117.64 1axj n TRP 106 Ca 0.06 -0.02 -0.40 0.00 -3.89 0.00 0.00 57.50 53.25 1axj n TRP 106 Cb 0.54 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.42 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 -0.05 3.33 0.00 -1.67 0.00 -1.26 -4.07 121.76 118.04 1axj s ALA 107 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1axj s ALA 107 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1axj s ALA 107 CO 0.00 0.15 0.00 -2.13 0.00 0.00 0.00 175.76 173.78 1axj n ARG 108 N 1.34 0.80 -3.61 0.00 3.00 0.46 -4.98 116.66 113.67 1axj n ARG 108 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.81 1axj n ARG 108 Cb 0.47 -0.98 -0.02 0.00 0.00 0.00 0.00 32.46 31.93 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 -1.92 -2.18 -0.40 5.13 0.00 -1.22 -4.96 121.76 116.21 1axj s ALA 109 Ca 0.00 1.56 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1axj s ALA 109 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1axj s ALA 109 CO 0.00 -0.67 0.63 0.00 0.00 0.00 0.00 175.76 175.72 1axj s ALA 110 N -2.25 3.40 -0.88 0.00 0.00 0.21 -1.11 121.76 121.14 1axj s ALA 110 Ca 0.11 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 1axj s ALA 110 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1axj s ALA 110 CO -0.04 -1.55 1.24 -1.17 0.00 0.00 0.00 175.76 174.25 1axj s LEU 111 N 2.73 4.03 -0.23 0.00 2.96 0.26 -0.76 118.68 127.67 1axj s LEU 111 Ca 0.23 -1.36 -0.23 0.00 -0.22 0.00 0.00 54.13 52.56 1axj s LEU 111 Cb -0.14 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 1axj s LEU 111 CO 0.17 -1.43 0.73 -0.69 -1.32 0.00 0.00 176.35 173.81 1axj s VAL 112 N 4.31 4.92 -0.19 1.68 1.01 -0.21 -1.10 120.40 130.81 1axj s VAL 112 Ca 0.36 1.37 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 1axj s VAL 112 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1axj s VAL 112 CO -0.02 -0.00 0.08 -0.63 0.00 0.00 0.00 175.10 174.53 1axj s ILE 113 N 2.54 4.91 -1.13 2.22 -1.09 0.12 -0.37 121.20 128.40 1axj s ILE 113 Ca 0.31 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.65 1axj s ILE 113 Cb -0.16 -3.23 0.27 0.00 -1.58 0.00 0.00 42.46 37.76 1axj s ILE 113 CO 0.09 0.44 1.20 0.41 -1.23 0.00 0.00 174.94 175.85 1axj n THR 114 N 3.70 4.61 -1.38 2.92 -1.04 0.10 -0.81 114.28 122.37 1axj n THR 114 Ca -0.16 -5.35 -0.35 0.00 -2.04 0.00 0.00 64.05 56.15 1axj n THR 114 Cb 0.52 -2.52 0.10 0.00 -1.82 0.00 0.00 70.33 66.61 1axj n THR 114 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1axj s VAL 115 N -1.08 2.14 0.10 12.58 1.01 -1.26 -1.52 120.40 132.37 1axj s VAL 115 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1axj s VAL 115 Cb -0.07 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1axj s VAL 115 CO -0.05 -0.03 0.00 0.52 0.00 0.00 0.00 175.10 175.53 1axj n VAL 116 N -2.75 0.29 -3.73 2.92 0.31 -0.46 -4.69 118.33 110.22 1axj n VAL 116 Ca 0.14 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.43 1axj n VAL 116 Cb 0.50 -1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 32.32 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 -5.23 -0.40 0.20 4.52 0.01 -1.17 -0.35 113.70 111.28 1axj s SER 117 Ca 0.00 0.73 0.07 0.00 1.31 0.00 0.00 55.95 58.06 1axj s SER 117 Cb 0.00 0.76 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1axj s SER 117 CO 0.00 -0.20 0.05 0.00 0.41 0.00 0.00 173.24 173.50 1axj s ALA 118 N -0.03 3.30 0.03 1.44 0.00 -1.26 -1.22 121.76 124.02 1axj s ALA 118 Ca -0.02 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1axj s ALA 118 Cb -0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1axj s ALA 118 CO 0.01 0.41 0.12 -1.83 0.00 0.00 0.00 175.76 174.47 1axj s GLU 119 N -3.25 0.59 -0.16 0.00 -1.05 -0.04 -4.99 118.70 109.80 1axj s GLU 119 Ca 0.29 -0.69 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 1axj s GLU 119 Cb -0.09 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1axj s GLU 119 CO 0.20 -0.15 0.12 -1.14 0.95 0.00 0.00 175.26 175.24 1axj s GLN 120 N -2.45 3.84 0.00 -4.83 0.74 -1.26 -0.65 119.66 115.06 1axj s GLN 120 Ca -0.06 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1axj s GLN 120 Cb -0.02 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1axj s GLN 120 CO -0.04 0.48 0.00 0.25 -0.55 0.00 0.00 175.29 175.44 1axj n THR 121 N 2.92 0.00 0.00 -0.34 -2.24 -1.26 -4.93 114.28 108.42 1axj n THR 121 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1axj n THR 121 Cb 0.53 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50