#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajm h GLN 3 N 0.00 0.83 0.78 1.64 7.50 -2.00 -1.86 115.11 122.01 1ajm h GLN 3 Ca 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 1ajm h GLN 3 Cb 0.00 -0.19 0.01 0.00 0.05 0.00 0.00 27.48 27.35 1ajm h GLN 3 CO 0.00 0.55 -0.38 -0.92 -1.50 0.00 0.00 178.83 176.58 1ajm h TYR 4 N 0.85 -0.98 -0.95 2.96 3.20 -2.00 -2.04 116.97 118.01 1ajm h TYR 4 Ca 0.37 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.43 1ajm h TYR 4 Cb 0.24 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1ajm h TYR 4 CO -0.05 -0.59 0.62 -0.07 -1.64 0.00 0.00 178.16 176.43 1ajm h LEU 5 N -1.13 0.43 -0.18 2.82 3.38 -1.95 0.15 115.31 118.84 1ajm h LEU 5 Ca -0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ajm h LEU 5 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ajm h LEU 5 CO 0.18 0.15 0.11 -0.33 0.09 0.00 0.00 178.44 178.64 1ajm h GLU 6 N 0.42 0.25 0.15 1.13 5.08 -1.03 -0.13 114.58 120.45 1ajm h GLU 6 Ca 0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1ajm h GLU 6 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ajm h GLU 6 CO -0.21 0.21 -0.15 1.25 -1.00 0.00 0.00 179.01 179.11 1ajm h LEU 7 N 0.22 -0.41 -0.46 1.33 6.46 -0.11 0.20 115.31 122.53 1ajm h LEU 7 Ca 0.07 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.93 1ajm h LEU 7 Cb 0.03 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.01 1ajm h LEU 7 CO -0.01 -0.23 -0.53 -0.03 -0.62 0.00 0.00 178.44 177.02 1ajm h MET 8 N -0.33 -0.34 -0.49 1.25 4.05 -0.45 -0.04 114.93 118.58 1ajm h MET 8 Ca 0.01 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.54 1ajm h MET 8 Cb 0.32 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.12 1ajm h MET 8 CO -0.04 -0.22 0.07 0.37 0.23 0.00 0.00 176.91 177.31 1ajm h GLN 9 N -0.35 0.19 -0.24 0.39 5.75 -0.75 -1.45 115.11 118.65 1ajm h GLN 9 Ca 0.10 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1ajm h GLN 9 Cb 0.58 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1ajm h GLN 9 CO -0.62 0.12 0.04 -0.22 -2.65 0.00 0.00 178.83 175.50 1ajm h LYS 10 N 0.19 0.12 -0.61 1.69 3.64 0.25 0.60 116.57 122.46 1ajm h LYS 10 Ca 0.25 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1ajm h LYS 10 Cb 0.35 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1ajm h LYS 10 CO -0.35 0.08 0.25 -0.39 -2.27 0.00 0.00 179.45 176.77 1ajm h VAL 11 N 0.13 1.22 -0.22 2.00 -1.51 -0.37 1.52 116.25 119.02 1ajm h VAL 11 Ca 0.11 -0.67 0.01 0.00 -1.23 0.00 0.00 66.70 64.92 1ajm h VAL 11 Cb 0.12 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1ajm h VAL 11 CO -0.15 0.27 0.12 -0.07 -1.23 0.00 0.00 177.57 176.50 1ajm h LEU 12 N 0.88 0.18 -0.73 4.19 3.38 -0.49 0.76 115.31 123.48 1ajm h LEU 12 Ca 0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1ajm h LEU 12 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ajm h LEU 12 CO -0.02 0.14 -0.45 0.44 0.09 0.00 0.00 178.44 178.64 1ajm h ASP 13 N 0.25 0.45 0.00 -0.43 3.32 0.27 -3.37 116.42 116.91 1ajm h ASP 13 Ca 0.09 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ajm h ASP 13 Cb 0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ajm h ASP 13 CO -0.05 0.84 0.00 -0.62 -1.72 0.00 0.00 179.24 177.69 1ajm n GLU 14 N -4.00 4.55 -1.63 3.56 1.02 0.50 -5.04 120.64 119.60 1ajm n GLU 14 Ca -0.02 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1ajm n GLU 14 Cb 0.53 -0.51 0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1ajm n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ajm n GLY 15 N 0.67 -0.01 3.78 0.62 0.00 0.26 -4.86 105.19 105.65 1ajm n GLY 15 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1ajm n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ajm s THR 16 N -1.21 4.05 -1.04 2.61 -1.32 -0.79 -4.69 115.64 113.24 1ajm s THR 16 Ca 0.61 -1.55 -0.22 0.00 -1.21 0.00 0.00 61.69 59.33 1ajm s THR 16 Cb -0.57 -3.22 0.06 0.00 -1.51 0.00 0.00 72.50 67.26 1ajm s THR 16 CO 0.58 -0.34 1.44 -1.10 -2.21 0.00 0.00 174.62 173.00 1ajm s GLN 17 N -3.81 3.64 0.16 7.08 -0.21 -1.26 -1.65 119.66 123.61 1ajm s GLN 17 Ca 0.33 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.42 1ajm s GLN 17 Cb -0.07 -5.32 -0.04 0.00 1.00 0.00 0.00 33.01 28.58 1ajm s GLN 17 CO 0.24 -2.16 0.30 0.15 -2.12 0.00 0.00 175.29 171.70 1ajm s LYS 18 N 4.58 3.45 -0.10 2.91 1.02 -1.11 -4.94 119.74 125.55 1ajm s LYS 18 Ca 0.45 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 1ajm s LYS 18 Cb -0.00 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1ajm s LYS 18 CO -0.08 0.50 -0.03 -0.80 -0.92 0.00 0.00 175.35 174.02 1ajm s ASN 19 N -3.26 4.91 0.85 2.83 -0.87 -1.26 0.17 114.94 118.32 1ajm s ASN 19 Ca 0.35 0.02 -0.13 0.00 -1.57 0.00 0.00 52.86 51.53 1ajm s ASN 19 Cb -0.11 -1.43 0.12 0.00 -0.02 0.00 0.00 41.25 39.81 1ajm s ASN 19 CO 0.29 0.32 1.21 1.51 -2.57 0.00 0.00 177.10 177.86 1ajm s ASP 20 N -0.55 4.03 0.53 -1.22 -4.77 0.60 -4.89 116.67 110.39 1ajm s ASP 20 Ca 0.09 0.54 0.28 0.00 -3.30 0.00 0.00 52.55 50.15 1ajm s ASP 20 Cb -0.12 -0.88 1.50 0.00 -1.09 0.00 0.00 42.92 42.33 1ajm s ASP 20 CO 0.02 -2.17 2.09 0.08 0.70 0.00 0.00 175.17 175.89 1ajm h ARG 21 N -1.21 0.00 0.00 2.11 0.11 -2.00 -0.58 114.38 112.81 1ajm h ARG 21 Ca -0.45 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.49 1ajm h ARG 21 Cb 1.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 1ajm h ARG 21 CO 0.55 0.10 -0.65 1.79 0.10 0.00 0.00 179.97 181.86 1ajm h THR 22 N 0.00 1.25 0.00 0.08 1.35 -1.98 -3.46 112.91 110.14 1ajm h THR 22 Ca -0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1ajm h THR 22 Cb 0.30 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1ajm h THR 22 CO 0.01 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1ajm n GLY 23 N 0.83 0.95 3.74 5.82 0.00 -0.23 -5.03 105.19 111.28 1ajm n GLY 23 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ajm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajm s THR 24 N -2.00 3.00 0.38 2.61 2.01 -1.26 -4.64 115.64 115.74 1ajm s THR 24 Ca 0.00 0.84 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 1ajm s THR 24 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1ajm s THR 24 CO 0.00 0.13 0.98 -0.83 -0.69 0.00 0.00 174.62 174.21 1ajm s GLY 25 N 0.28 2.68 0.34 4.40 0.00 -1.26 -0.30 107.32 113.46 1ajm s GLY 25 Ca 0.57 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.91 1ajm s GLY 25 CO 0.41 0.95 -0.01 -0.51 0.00 0.00 0.00 173.10 173.93 1ajm s THR 26 N -1.77 1.72 -0.25 0.90 -4.23 0.13 -0.89 115.64 111.25 1ajm s THR 26 Ca 0.56 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1ajm s THR 26 Cb -0.17 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.00 1ajm s THR 26 CO 0.22 -0.12 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.86 1ajm s LEU 27 N -3.56 3.17 0.06 4.79 2.96 0.12 -2.75 118.68 123.47 1ajm s LEU 27 Ca 0.33 -1.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.00 1ajm s LEU 27 Cb 0.07 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1ajm s LEU 27 CO 0.15 -0.19 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.26 1ajm s SER 28 N 1.18 2.15 0.15 3.68 0.15 -0.66 -1.06 113.70 119.29 1ajm s SER 28 Ca -0.08 -0.55 0.08 0.00 0.70 0.00 0.00 55.95 56.10 1ajm s SER 28 Cb -0.19 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.93 1ajm s SER 28 CO -0.06 0.07 -0.17 0.27 1.20 0.00 0.00 173.24 174.56 1ajm s ILE 29 N -0.94 1.67 -0.18 6.45 -4.36 0.12 -1.89 121.20 122.07 1ajm s ILE 29 Ca 0.04 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1ajm s ILE 29 Cb -0.09 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.88 1ajm s ILE 29 CO 0.02 -0.35 -0.17 0.12 0.24 0.00 0.00 174.94 174.80 1ajm s PHE 30 N -2.10 2.79 0.00 1.37 5.36 -1.26 -0.17 117.98 123.97 1ajm s PHE 30 Ca 0.14 -1.38 0.00 0.00 -0.96 0.00 0.00 56.93 54.73 1ajm s PHE 30 Cb -0.05 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1ajm s PHE 30 CO 0.05 -0.68 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 1ajm n GLY 31 N 4.46 -1.16 3.19 13.12 0.00 -0.10 -4.99 105.19 119.70 1ajm n GLY 31 Ca -0.20 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1ajm n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ajm s HIS 32 N 0.00 -0.12 -0.02 1.61 2.46 -0.94 -4.97 115.29 113.30 1ajm s HIS 32 Ca 0.00 0.18 -0.01 0.00 0.47 0.00 0.00 55.06 55.71 1ajm s HIS 32 Cb 0.00 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.52 1ajm s HIS 32 CO 0.00 -0.34 0.03 -1.14 -2.47 0.00 0.00 174.74 170.83 1ajm s GLN 33 N -1.22 0.00 -0.08 2.88 0.74 -1.26 -0.76 119.66 119.96 1ajm s GLN 33 Ca -0.13 0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.34 1ajm s GLN 33 Cb -0.06 -0.12 0.02 0.00 1.10 0.00 0.00 33.01 33.96 1ajm s GLN 33 CO 0.03 -0.09 0.21 0.00 -0.55 0.00 0.00 175.29 174.89 1ajm s MET 34 N 0.59 0.24 -0.03 1.67 0.23 -0.28 -4.99 119.30 116.72 1ajm s MET 34 Ca -0.05 0.33 0.01 0.00 -1.03 0.00 0.00 55.69 54.95 1ajm s MET 34 Cb -0.07 0.08 -0.03 0.00 -1.53 0.00 0.00 34.83 33.28 1ajm s MET 34 CO -0.02 -0.05 -0.03 0.50 -2.03 0.00 0.00 175.02 173.39 1ajm s ARG 35 N 0.30 2.76 -0.12 3.16 3.52 -1.26 -0.39 118.95 126.92 1ajm s ARG 35 Ca -0.02 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1ajm s ARG 35 Cb -0.03 -2.64 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1ajm s ARG 35 CO -0.01 0.64 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.98 1ajm s PHE 36 N -0.97 1.52 -0.49 5.12 0.40 -0.02 -4.97 117.98 118.57 1ajm s PHE 36 Ca 0.16 -0.77 -0.29 0.00 -0.60 0.00 0.00 56.93 55.44 1ajm s PHE 36 Cb -0.11 -1.25 0.02 0.00 0.51 0.00 0.00 43.02 42.19 1ajm s PHE 36 CO 0.06 -0.52 1.24 1.21 0.70 0.00 0.00 175.22 177.91 1ajm s ASN 37 N 1.70 6.48 0.58 1.36 2.47 -1.26 -0.91 114.94 125.36 1ajm s ASN 37 Ca 0.05 0.46 0.28 0.00 0.42 0.00 0.00 52.86 54.07 1ajm s ASN 37 Cb -0.13 -2.55 1.70 0.00 -1.45 0.00 0.00 41.25 38.83 1ajm s ASN 37 CO -0.08 -1.38 2.18 -0.07 -3.72 0.00 0.00 177.10 174.02 1ajm h LEU 38 N 11.76 0.00 -0.69 3.21 3.38 -1.37 0.03 115.31 131.63 1ajm h LEU 38 Ca -0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1ajm h LEU 38 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1ajm h LEU 38 CO 1.13 0.00 -0.55 1.56 0.09 0.00 0.00 178.44 180.67 1ajm h GLN 39 N 0.00 0.00 -0.85 1.13 4.20 -1.78 -2.93 115.11 114.88 1ajm h GLN 39 Ca 0.04 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.89 1ajm h GLN 39 Cb 0.23 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 1ajm h GLN 39 CO -0.00 0.55 0.55 -0.44 -0.67 0.00 0.00 178.83 178.83 1ajm h ASP 40 N 0.00 0.62 -0.97 1.46 5.19 -1.36 -3.47 116.42 117.89 1ajm h ASP 40 Ca -0.01 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ajm h ASP 40 Cb 1.11 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ajm h ASP 40 CO 0.07 0.33 0.00 0.61 -3.12 0.00 0.00 179.24 177.13 1ajm n GLY 41 N -1.45 2.71 3.65 2.75 0.00 -1.11 -4.90 105.19 106.85 1ajm n GLY 41 Ca 0.16 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1ajm n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ajm s PHE 42 N -2.00 2.78 -0.98 1.61 5.36 -0.55 -4.62 117.98 119.58 1ajm s PHE 42 Ca 0.00 0.95 -0.19 0.00 -0.96 0.00 0.00 56.93 56.73 1ajm s PHE 42 Cb 0.00 -3.60 -0.10 0.00 -0.34 0.00 0.00 43.02 38.98 1ajm s PHE 42 CO 0.00 -1.77 2.03 -0.35 -1.46 0.00 0.00 175.22 173.67 1ajm n PRO 43 N 6.78 1.93 -3.88 10.12 -0.04 -1.26 -4.03 135.00 144.63 1ajm n PRO 43 Ca 0.14 -2.06 -0.36 0.00 -0.04 0.00 0.00 63.50 61.18 1ajm n PRO 43 Cb 0.45 -3.02 -0.12 0.00 -0.04 0.00 0.00 33.50 30.77 1ajm n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ajm s LEU 44 N 1.44 3.45 0.28 1.53 2.96 -1.26 -4.19 118.68 122.89 1ajm s LEU 44 Ca 0.54 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 1ajm s LEU 44 Cb 0.14 -1.90 -0.12 0.00 0.50 0.00 0.00 46.19 44.81 1ajm s LEU 44 CO 0.05 0.02 1.59 0.55 -1.32 0.00 0.00 176.35 177.24 1ajm n VAL 45 N 4.56 0.95 -0.04 1.68 3.14 -1.26 -4.85 118.33 122.51 1ajm n VAL 45 Ca -0.16 -0.24 0.02 0.00 -2.96 0.00 0.00 64.34 60.99 1ajm n VAL 45 Cb 0.52 -1.93 -0.13 0.00 -1.06 0.00 0.00 33.84 31.23 1ajm n VAL 45 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ajm n THR 46 N 2.24 0.46 0.44 1.55 -2.24 -1.26 -4.39 114.28 111.08 1ajm n THR 46 Ca 0.09 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1ajm n THR 46 Cb 0.36 -0.19 0.11 0.00 -2.10 0.00 0.00 70.33 68.52 1ajm n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ajm n THR 47 N -2.29 0.00 -3.63 4.28 -2.24 -1.26 0.09 114.28 109.23 1ajm n THR 47 Ca -0.13 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1ajm n THR 47 Cb 0.68 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1ajm n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ajm s LYS 48 N -2.00 0.54 0.22 -0.78 -2.85 -1.26 -4.63 119.74 108.98 1ajm s LYS 48 Ca 0.06 0.55 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1ajm s LYS 48 Cb 0.03 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1ajm s LYS 48 CO 0.04 -0.08 1.20 0.50 0.10 0.00 0.00 175.35 177.11 1ajm s ARG 49 N 0.03 4.50 0.01 1.78 3.52 -0.39 -4.66 118.95 123.74 1ajm s ARG 49 Ca 0.02 1.91 0.05 0.00 -0.13 0.00 0.00 55.73 57.58 1ajm s ARG 49 Cb -0.04 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1ajm s ARG 49 CO -0.04 -0.05 -0.14 0.00 -0.81 0.00 0.00 175.30 174.26 1ajm s HIS 51 N -0.58 3.26 0.29 0.00 3.76 -1.26 -4.97 115.29 115.78 1ajm s HIS 51 Ca 0.04 -1.15 -0.02 0.00 -0.15 0.00 0.00 55.06 53.77 1ajm s HIS 51 Cb -0.07 -2.43 0.40 0.00 1.11 0.00 0.00 32.58 31.59 1ajm s HIS 51 CO 0.00 -0.69 1.91 1.25 -0.85 0.00 0.00 174.74 176.36 1ajm h LEU 52 N 8.37 0.91 -0.16 0.89 5.85 -2.00 -3.34 115.31 125.83 1ajm h LEU 52 Ca -0.24 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1ajm h LEU 52 Cb 1.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1ajm h LEU 52 CO 0.66 0.74 -0.10 -1.14 -0.34 0.00 0.00 178.44 178.26 1ajm n ARG 53 N -4.36 -0.07 0.25 1.25 0.63 -1.26 0.12 116.66 113.22 1ajm n ARG 53 Ca 0.07 0.60 0.11 0.00 -0.92 0.00 0.00 57.85 57.72 1ajm n ARG 53 Cb 0.10 -0.90 0.64 0.00 0.45 0.00 0.00 32.46 32.76 1ajm n ARG 53 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1ajm h SER 54 N 0.00 0.00 -0.09 6.15 0.02 -1.98 -2.45 113.55 115.20 1ajm h SER 54 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ajm h SER 54 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ajm h SER 54 CO -0.15 0.16 0.01 0.40 -1.14 0.00 0.00 176.83 176.10 1ajm h ILE 55 N 0.00 1.23 -0.11 3.27 2.04 0.78 -2.24 117.51 122.48 1ajm h ILE 55 Ca -0.00 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1ajm h ILE 55 Cb 0.42 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1ajm h ILE 55 CO 0.02 0.21 0.03 0.40 0.00 0.00 0.00 178.15 178.81 1ajm h ILE 56 N -0.11 0.97 -0.65 -0.67 2.04 -0.46 -2.09 117.51 116.54 1ajm h ILE 56 Ca 0.03 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1ajm h ILE 56 Cb 0.32 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1ajm h ILE 56 CO 0.00 0.02 0.39 0.45 0.00 0.00 0.00 178.15 179.01 1ajm h HIS 57 N 0.08 0.72 -0.44 1.37 3.86 -1.46 -1.04 115.15 118.24 1ajm h HIS 57 Ca 0.05 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1ajm h HIS 57 Cb 0.03 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 1ajm h HIS 57 CO -0.11 0.39 0.27 1.49 0.86 0.00 0.00 177.93 180.83 1ajm h GLU 58 N 0.74 0.53 0.30 2.45 4.81 -1.22 0.16 114.58 122.36 1ajm h GLU 58 Ca 0.27 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1ajm h GLU 58 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1ajm h GLU 58 CO -0.13 0.35 -0.16 1.25 -0.73 0.00 0.00 179.01 179.58 1ajm h LEU 59 N 0.55 -0.40 -1.00 1.64 5.85 -0.80 0.11 115.31 121.26 1ajm h LEU 59 Ca 0.17 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1ajm h LEU 59 Cb -0.01 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1ajm h LEU 59 CO -0.07 -0.27 0.61 -0.07 -0.34 0.00 0.00 178.44 178.30 1ajm h LEU 60 N -0.44 0.82 -0.22 2.25 4.07 -0.97 -1.37 115.31 119.44 1ajm h LEU 60 Ca -0.04 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1ajm h LEU 60 Cb 0.35 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1ajm h LEU 60 CO 0.05 0.34 0.07 -0.25 -1.08 0.00 0.00 178.44 177.57 1ajm h TRP 61 N 0.83 0.36 -0.46 1.13 7.01 0.27 -2.84 115.95 122.25 1ajm h TRP 61 Ca 0.55 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.56 1ajm h TRP 61 Cb 0.77 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1ajm h TRP 61 CO -0.01 0.42 0.21 0.74 -2.79 0.00 0.00 178.44 177.02 1ajm h PHE 62 N 0.19 0.39 0.00 2.65 0.04 0.06 -1.56 116.94 118.71 1ajm h PHE 62 Ca 0.07 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1ajm h PHE 62 Cb 0.23 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1ajm h PHE 62 CO 0.00 0.18 -0.00 -0.07 -0.60 0.00 0.00 178.31 177.82 1ajm h LEU 63 N 0.42 0.00 -0.09 1.54 3.38 -1.11 0.02 115.31 119.47 1ajm h LEU 63 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ajm h LEU 63 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ajm h LEU 63 CO -0.16 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.09 1ajm n GLN 64 N -3.22 0.20 -1.25 1.13 6.02 -0.59 -4.90 117.38 114.77 1ajm n GLN 64 Ca -0.03 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 56.82 1ajm n GLN 64 Cb 0.09 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 1ajm n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ajm n GLY 65 N 1.45 0.70 3.79 1.08 0.00 -0.01 -5.01 105.19 107.19 1ajm n GLY 65 Ca 0.08 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1ajm n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajm s ASP 66 N -2.93 7.21 0.00 1.61 2.15 -1.21 -4.21 116.67 119.30 1ajm s ASP 66 Ca 0.00 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.42 1ajm s ASP 66 Cb 0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ajm s ASP 66 CO 0.00 0.21 0.64 0.35 -0.17 0.00 0.00 175.17 176.21 1ajm n THR 67 N 1.82 0.34 -3.98 1.71 -2.24 -1.26 -4.49 114.28 106.18 1ajm n THR 67 Ca -0.07 -0.62 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 1ajm n THR 67 Cb 0.50 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 1ajm n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ajm s ASN 68 N -0.34 5.97 0.00 3.42 3.84 -1.25 -1.63 114.94 124.95 1ajm s ASN 68 Ca 0.00 0.15 0.15 0.00 0.21 0.00 0.00 52.86 53.37 1ajm s ASN 68 Cb 0.00 -1.75 0.68 0.00 -0.55 0.00 0.00 41.25 39.63 1ajm s ASN 68 CO 0.00 0.18 1.47 2.30 -2.79 0.00 0.00 177.10 178.26 1ajm n ILE 69 N 0.47 0.15 -0.07 -5.21 -5.35 0.14 -4.35 119.36 105.13 1ajm n ILE 69 Ca -0.07 -0.20 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 1ajm n ILE 69 Cb 0.51 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 1ajm n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ajm h ALA 70 N 3.66 -0.21 -0.92 -1.28 0.00 -1.92 0.84 119.26 119.43 1ajm h ALA 70 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ajm h ALA 70 Cb 0.24 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1ajm h ALA 70 CO 0.00 -0.73 0.59 -0.92 0.00 0.00 0.00 179.25 178.19 1ajm h TYR 71 N -0.29 1.02 -0.43 0.00 3.20 -2.00 -0.56 116.97 117.91 1ajm h TYR 71 Ca 0.15 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1ajm h TYR 71 Cb 0.52 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1ajm h TYR 71 CO -0.47 0.49 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.35 1ajm h LEU 72 N 0.96 0.85 -1.07 2.82 3.38 -1.39 -3.04 115.31 117.81 1ajm h LEU 72 Ca 0.42 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ajm h LEU 72 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ajm h LEU 72 CO -0.18 1.02 0.34 0.45 0.09 0.00 0.00 178.44 180.16 1ajm h HIS 73 N 0.67 0.98 -0.75 1.13 3.86 0.23 0.21 115.15 121.48 1ajm h HIS 73 Ca 0.11 -0.04 0.18 0.00 -1.16 0.00 0.00 60.37 59.47 1ajm h HIS 73 Cb 0.65 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1ajm h HIS 73 CO 0.05 0.72 0.52 0.93 0.86 0.00 0.00 177.93 181.00 1ajm h GLU 74 N 0.99 0.21 -0.51 2.45 5.08 -1.03 0.26 114.58 122.03 1ajm h GLU 74 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ajm h GLU 74 Cb 0.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ajm h GLU 74 CO -0.03 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 1ajm n ASN 75 N -4.42 4.20 -3.67 1.42 3.02 -0.61 -4.97 115.26 110.24 1ajm n ASN 75 Ca 0.15 -2.46 -0.23 0.00 -0.03 0.00 0.00 54.58 52.01 1ajm n ASN 75 Cb 0.68 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1ajm n ASN 75 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ajm n ASN 76 N 0.69 -2.57 -4.23 6.41 5.15 0.91 -4.99 115.26 116.63 1ajm n ASN 76 Ca 0.22 -0.87 -0.34 0.00 -0.60 0.00 0.00 54.58 52.99 1ajm n ASN 76 Cb 0.79 -3.95 -0.15 0.00 -0.53 0.00 0.00 39.78 35.94 1ajm n ASN 76 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ajm s VAL 77 N -3.62 2.82 -0.11 3.44 1.01 -0.04 -5.00 120.40 118.91 1ajm s VAL 77 Ca 0.15 -0.68 0.16 0.00 0.00 0.00 0.00 61.98 61.61 1ajm s VAL 77 Cb -0.04 -2.25 0.25 0.00 0.00 0.00 0.00 36.38 34.33 1ajm s VAL 77 CO 0.82 0.47 1.13 0.35 0.00 0.00 0.00 175.10 177.87 1ajm n THR 78 N 4.68 1.75 0.41 3.92 -2.24 -1.26 -3.91 114.28 117.62 1ajm n THR 78 Ca -0.19 -2.08 0.07 0.00 -2.27 0.00 0.00 64.05 59.58 1ajm n THR 78 Cb 0.51 -0.13 0.32 0.00 -2.10 0.00 0.00 70.33 68.93 1ajm n THR 78 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1ajm n ILE 79 N -1.30 1.09 0.59 2.28 -5.35 -1.26 -2.59 119.36 112.82 1ajm n ILE 79 Ca 0.14 0.29 0.06 0.00 -0.27 0.00 0.00 62.75 62.97 1ajm n ILE 79 Cb 0.59 -1.12 -0.02 0.00 -1.74 0.00 0.00 39.64 37.34 1ajm n ILE 79 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1ajm n TRP 80 N -1.68 0.00 -0.23 4.28 7.02 -1.26 -4.59 117.44 120.97 1ajm n TRP 80 Ca 0.03 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.47 1ajm n TRP 80 Cb 0.16 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.12 1ajm n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ajm h ASP 81 N 1.08 0.65 -0.67 -0.99 5.19 -1.84 -1.85 116.42 117.99 1ajm h ASP 81 Ca 0.00 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.61 1ajm h ASP 81 Cb 0.41 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1ajm h ASP 81 CO 0.00 0.45 0.56 -0.08 -3.12 0.00 0.00 179.24 177.05 1ajm h GLU 82 N 0.79 0.00 0.00 3.56 4.81 -1.81 -2.57 114.58 119.35 1ajm h GLU 82 Ca 0.28 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.19 1ajm h GLU 82 Cb 0.06 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1ajm h GLU 82 CO -0.12 0.00 -2.33 0.91 -0.73 0.00 0.00 179.01 176.73 1ajm n TRP 83 N -4.02 0.00 -1.79 0.92 8.01 -0.74 -5.02 117.44 114.80 1ajm n TRP 83 Ca 0.13 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.95 1ajm n TRP 83 Cb 0.81 -0.93 0.05 0.00 -2.01 0.00 0.00 31.31 29.23 1ajm n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ajm s ALA 84 N -2.62 2.62 0.86 6.99 0.00 -0.92 -4.92 121.76 123.77 1ajm s ALA 84 Ca -0.10 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1ajm s ALA 84 Cb 0.07 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.79 1ajm s ALA 84 CO 0.84 -1.44 1.21 0.16 0.00 0.00 0.00 175.76 176.52 1ajm s ASP 85 N -1.19 3.80 0.63 0.00 -4.77 -0.44 -4.83 116.67 109.87 1ajm s ASP 85 Ca 0.76 0.32 0.17 0.00 -3.30 0.00 0.00 52.55 50.50 1ajm s ASP 85 Cb -0.38 -0.58 0.70 0.00 -1.09 0.00 0.00 42.92 41.57 1ajm s ASP 85 CO 0.43 -2.29 1.31 -0.33 0.70 0.00 0.00 175.17 174.99 1ajm h GLU 86 N -1.23 0.00 -0.12 2.11 3.07 -1.96 0.13 114.58 116.57 1ajm h GLU 86 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1ajm h GLU 86 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1ajm h GLU 86 CO 0.47 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.17 1ajm n ASN 87 N -2.98 2.19 0.00 1.42 3.02 -1.26 -4.96 115.26 112.69 1ajm n ASN 87 Ca 0.11 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1ajm n ASN 87 Cb 1.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1ajm n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ajm n GLY 88 N 0.48 0.72 3.75 7.41 0.00 0.44 -4.84 105.19 113.15 1ajm n GLY 88 Ca 0.07 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1ajm n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ajm s ASP 89 N -2.27 6.75 -0.01 1.61 1.01 -1.26 0.24 116.67 122.74 1ajm s ASP 89 Ca 0.00 0.89 0.14 0.00 0.71 0.00 0.00 52.55 54.30 1ajm s ASP 89 Cb 0.00 -2.29 -0.20 0.00 1.01 0.00 0.00 42.92 41.44 1ajm s ASP 89 CO 0.00 0.07 0.40 0.18 0.21 0.00 0.00 175.17 176.03 1ajm n LEU 90 N 3.21 0.22 0.00 1.23 4.77 -0.64 -1.33 117.00 124.46 1ajm n LEU 90 Ca -0.08 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1ajm n LEU 90 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ajm n LEU 90 CO 0.42 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ajm n GLY 91 N 1.57 0.54 2.41 -0.72 0.00 -1.26 -0.80 105.19 106.92 1ajm n GLY 91 Ca -0.01 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1ajm n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ajm n PRO 92 N 0.15 1.29 -0.51 1.61 -0.04 -1.26 -4.82 135.00 131.42 1ajm n PRO 92 Ca 0.00 -0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 62.56 1ajm n PRO 92 Cb 0.00 -1.99 0.07 0.00 -0.04 0.00 0.00 33.50 31.55 1ajm n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ajm n VAL 93 N 3.34 0.00 0.00 0.52 0.24 -1.26 -4.45 118.33 116.72 1ajm n VAL 93 Ca 0.28 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1ajm n VAL 93 Cb 0.32 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1ajm n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ajm n TYR 94 N -2.91 0.00 -0.33 6.34 4.01 -1.26 0.09 117.16 123.11 1ajm n TYR 94 Ca 0.05 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 1ajm n TYR 94 Cb 0.19 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.53 1ajm n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ajm h GLY 95 N 0.00 1.34 0.96 2.72 0.00 -1.79 -0.46 103.07 105.84 1ajm h GLY 95 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1ajm h GLY 95 CO 0.00 -0.51 0.16 1.70 0.00 0.00 0.00 176.54 177.89 1ajm h LYS 96 N 0.04 0.73 -0.19 4.80 1.63 -0.52 -2.36 116.57 120.70 1ajm h LYS 96 Ca 0.61 -0.15 -0.14 0.00 -0.85 0.00 0.00 60.65 60.12 1ajm h LYS 96 Cb 1.28 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1ajm h LYS 96 CO -0.85 0.68 -0.42 1.96 -3.45 0.00 0.00 179.45 177.37 1ajm h GLN 97 N 0.63 0.62 -0.52 1.90 1.08 -1.12 0.63 115.11 118.33 1ajm h GLN 97 Ca 0.15 -0.41 0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1ajm h GLN 97 Cb 0.25 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.66 1ajm h GLN 97 CO -0.01 1.03 0.11 -1.49 -0.95 0.00 0.00 178.83 177.52 1ajm h TRP 98 N 0.30 0.17 0.00 2.96 4.06 -1.11 -2.92 115.95 119.42 1ajm h TRP 98 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1ajm h TRP 98 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1ajm h TRP 98 CO 0.09 -0.01 -1.71 0.54 -3.56 0.00 0.00 178.44 173.80 1ajm n ARG 99 N -5.11 0.63 -2.69 0.49 5.12 -0.89 -0.54 116.66 113.67 1ajm n ARG 99 Ca 0.06 -0.15 -0.08 0.00 -1.93 0.00 0.00 57.85 55.76 1ajm n ARG 99 Cb 0.26 -1.43 0.08 0.00 -1.16 0.00 0.00 32.46 30.21 1ajm n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ajm n ALA 100 N -2.04 2.18 -1.68 7.54 0.00 0.22 -3.39 120.51 123.33 1ajm n ALA 100 Ca -0.02 -2.13 -0.45 0.00 0.00 0.00 0.00 53.44 50.83 1ajm n ALA 100 Cb 0.46 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1ajm n ALA 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1ajm n TRP 101 N -0.33 2.40 -3.25 0.00 -0.00 0.94 -4.43 117.44 112.76 1ajm n TRP 101 Ca 0.03 0.10 -0.39 0.00 -0.00 0.00 0.00 57.50 57.24 1ajm n TRP 101 Cb 0.83 -2.62 -0.06 0.00 -0.00 0.00 0.00 31.31 29.46 1ajm n TRP 101 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1ajm s PRO 102 N 2.03 4.29 0.22 5.87 0.05 -1.26 0.13 135.00 146.33 1ajm s PRO 102 Ca 0.82 0.63 0.00 0.00 0.05 0.00 0.00 61.00 62.51 1ajm s PRO 102 Cb -0.63 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 30.52 1ajm s PRO 102 CO 0.40 0.32 0.40 0.95 0.05 0.00 0.00 177.00 179.12 1ajm s THR 103 N 0.03 5.21 0.43 1.26 -4.23 0.26 -4.98 115.64 113.63 1ajm s THR 103 Ca 0.29 -0.48 0.40 0.00 -1.18 0.00 0.00 61.69 60.72 1ajm s THR 103 Cb -0.17 -3.76 0.42 0.00 1.34 0.00 0.00 72.50 70.33 1ajm s THR 103 CO 0.15 -0.23 2.21 -0.65 -0.54 0.00 0.00 174.62 175.56 1ajm h PRO 104 N 1.77 0.00 -0.57 3.99 0.11 -1.98 -2.13 132.00 133.19 1ajm h PRO 104 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ajm h PRO 104 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ajm h PRO 104 CO 0.66 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1ajm n ASP 105 N -3.10 3.09 0.00 -2.05 5.75 -1.26 -4.93 116.55 114.05 1ajm n ASP 105 Ca -0.02 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1ajm n ASP 105 Cb 0.17 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1ajm n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ajm n GLY 106 N 1.33 0.81 3.82 6.12 0.00 -0.80 -5.09 105.19 111.37 1ajm n GLY 106 Ca 0.19 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1ajm n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ajm s ARG 107 N -0.67 2.77 -0.23 1.61 0.52 -1.26 -4.92 118.95 116.77 1ajm s ARG 107 Ca 0.00 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.02 1ajm s ARG 107 Cb 0.00 -2.48 0.06 0.00 0.52 0.00 0.00 34.95 33.05 1ajm s ARG 107 CO 0.00 0.26 -0.07 -1.01 0.02 0.00 0.00 175.30 174.50 1ajm s HIS 108 N -2.23 2.56 -0.13 -0.53 3.76 -1.26 -0.57 115.29 116.88 1ajm s HIS 108 Ca 0.36 -1.82 -0.20 0.00 -0.15 0.00 0.00 55.06 53.25 1ajm s HIS 108 Cb -0.07 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1ajm s HIS 108 CO 0.25 -0.79 0.55 0.42 -0.85 0.00 0.00 174.74 174.32 1ajm s ILE 109 N 1.34 5.13 -0.67 0.60 1.01 0.35 -4.77 121.20 124.19 1ajm s ILE 109 Ca -0.05 1.08 -0.16 0.00 0.00 0.00 0.00 60.65 61.51 1ajm s ILE 109 Cb -0.18 -3.88 0.16 0.00 0.01 0.00 0.00 42.46 38.56 1ajm s ILE 109 CO -0.06 0.26 0.67 -0.62 0.00 0.00 0.00 174.94 175.18 1ajm s ASP 110 N 0.81 6.41 0.39 3.58 -1.08 -1.22 -0.04 116.67 125.52 1ajm s ASP 110 Ca 0.28 -2.05 0.19 0.00 -0.52 0.00 0.00 52.55 50.46 1ajm s ASP 110 Cb -0.16 -2.24 0.73 0.00 -1.46 0.00 0.00 42.92 39.79 1ajm s ASP 110 CO 0.12 -0.82 1.76 1.56 0.52 0.00 0.00 175.17 178.30 1ajm h GLN 111 N 8.57 0.00 0.05 4.34 4.20 -1.05 -2.27 115.11 128.95 1ajm h GLN 111 Ca -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1ajm h GLN 111 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1ajm h GLN 111 CO 0.96 0.35 -0.03 0.82 -0.67 0.00 0.00 178.83 180.26 1ajm h ILE 112 N 0.00 1.06 -0.45 2.54 1.08 -1.82 -0.87 117.51 119.05 1ajm h ILE 112 Ca -0.00 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1ajm h ILE 112 Cb 0.86 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 1ajm h ILE 112 CO 0.05 0.09 0.11 0.74 -0.69 0.00 0.00 178.15 178.45 1ajm h THR 113 N -0.23 1.23 -0.38 -0.27 2.02 -1.86 -1.45 112.91 111.97 1ajm h THR 113 Ca -0.01 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.43 1ajm h THR 113 Cb 0.21 0.91 -0.09 0.00 -1.74 0.00 0.00 68.15 67.43 1ajm h THR 113 CO 0.01 0.29 -0.29 0.74 0.37 0.00 0.00 175.52 176.65 1ajm h THR 114 N 0.60 0.29 -0.61 3.16 2.02 -1.25 0.66 112.91 117.76 1ajm h THR 114 Ca 0.14 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.43 1ajm h THR 114 Cb 0.32 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 1ajm h THR 114 CO 0.00 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.67 1ajm h VAL 115 N -0.23 0.72 -0.86 3.16 2.07 -0.73 -0.75 116.25 119.64 1ajm h VAL 115 Ca 0.18 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ajm h VAL 115 Cb 0.51 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1ajm h VAL 115 CO -0.51 0.06 0.56 -0.07 0.02 0.00 0.00 177.57 177.63 1ajm h LEU 116 N 0.35 0.99 -0.32 2.57 3.38 -0.07 -0.01 115.31 122.21 1ajm h LEU 116 Ca 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ajm h LEU 116 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ajm h LEU 116 CO -0.35 0.73 0.21 0.78 0.09 0.00 0.00 178.44 179.90 1ajm h ASN 117 N 1.16 0.37 -0.30 -0.43 -0.26 0.41 -2.11 115.58 114.41 1ajm h ASN 117 Ca 0.31 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 56.05 1ajm h ASN 117 Cb -0.12 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 1ajm h ASN 117 CO -0.07 0.27 0.17 1.56 -1.06 0.00 0.00 177.43 178.30 1ajm h GLN 118 N 0.43 0.34 -0.31 0.81 4.20 -0.34 0.13 115.11 120.37 1ajm h GLN 118 Ca 0.12 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1ajm h GLN 118 Cb -0.05 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1ajm h GLN 118 CO -0.03 0.23 0.21 -0.07 -0.67 0.00 0.00 178.83 178.51 1ajm h LEU 119 N 0.35 0.15 0.09 1.46 3.38 -0.73 0.30 115.31 120.31 1ajm h LEU 119 Ca 0.12 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.77 1ajm h LEU 119 Cb 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1ajm h LEU 119 CO -0.06 0.10 -1.70 0.11 0.09 0.00 0.00 178.44 176.98 1ajm h LYS 120 N 0.17 0.18 -0.19 1.13 1.57 -0.66 -3.36 116.57 115.41 1ajm h LYS 120 Ca 0.14 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1ajm h LYS 120 Cb 0.34 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ajm h LYS 120 CO -0.02 0.98 0.00 0.09 -0.57 0.00 0.00 179.45 179.93 1ajm n ASN 121 N -3.35 2.66 -2.66 0.86 3.02 0.36 -4.80 115.26 111.35 1ajm n ASN 121 Ca -0.21 -2.18 -0.03 0.00 -0.03 0.00 0.00 54.58 52.13 1ajm n ASN 121 Cb 1.04 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 40.07 1ajm n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ajm n ASP 122 N -0.09 -1.16 0.25 6.41 2.03 0.10 -4.99 116.55 119.11 1ajm n ASP 122 Ca 0.09 -1.73 0.14 0.00 0.52 0.00 0.00 54.79 53.81 1ajm n ASP 122 Cb 0.43 1.07 0.75 0.00 -0.72 0.00 0.00 41.12 42.65 1ajm n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ajm h PRO 123 N 1.67 0.00 -0.00 -0.67 0.14 -1.66 -1.26 132.00 130.21 1ajm h PRO 123 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1ajm h PRO 123 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.37 1ajm h PRO 123 CO -0.11 0.00 -0.11 -0.25 0.14 0.00 0.00 178.00 177.67 1ajm n ASP 124 N -2.57 0.59 -4.68 1.44 8.00 -1.26 -3.76 116.55 114.30 1ajm n ASP 124 Ca -0.02 -0.70 -0.40 0.00 0.71 0.00 0.00 54.79 54.38 1ajm n ASP 124 Cb 0.20 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1ajm n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ajm n SER 125 N -0.84 2.10 -1.47 -2.24 2.88 -0.48 -4.91 113.62 108.66 1ajm n SER 125 Ca 0.15 1.02 0.08 0.00 -1.33 0.00 0.00 58.87 58.79 1ajm n SER 125 Cb 0.28 -1.48 0.34 0.00 -0.75 0.00 0.00 64.21 62.60 1ajm n SER 125 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ajm n GLU 126 N -0.35 3.91 -1.51 -1.46 1.02 -1.26 -4.36 120.64 116.63 1ajm n GLU 126 Ca 0.09 -2.92 0.02 0.00 -0.02 0.00 0.00 57.16 54.33 1ajm n GLU 126 Cb 0.42 -1.97 0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1ajm n GLU 126 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ajm n ARG 127 N 0.52 0.81 -2.68 3.49 1.85 -1.26 -4.94 116.66 114.44 1ajm n ARG 127 Ca 0.25 -2.63 -0.43 0.00 -1.00 0.00 0.00 57.85 54.03 1ajm n ARG 127 Cb 0.97 -0.72 -0.00 0.00 -1.05 0.00 0.00 32.46 31.66 1ajm n ARG 127 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ajm s ILE 128 N -1.53 4.36 0.10 8.89 1.01 -1.26 -4.91 121.20 127.86 1ajm s ILE 128 Ca 0.35 -2.06 0.09 0.00 0.00 0.00 0.00 60.65 59.03 1ajm s ILE 128 Cb 0.38 -5.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 1ajm s ILE 128 CO -0.12 -1.91 -0.24 -0.63 0.00 0.00 0.00 174.94 172.04 1ajm s ILE 129 N 3.53 1.97 -0.08 2.92 1.01 -1.26 -0.46 121.20 128.82 1ajm s ILE 129 Ca 0.50 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1ajm s ILE 129 Cb 0.02 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1ajm s ILE 129 CO 0.05 0.07 -0.12 -0.69 0.00 0.00 0.00 174.94 174.25 1ajm s VAL 130 N -1.04 1.19 -0.02 2.92 1.01 0.51 -4.90 120.40 120.06 1ajm s VAL 130 Ca 0.10 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1ajm s VAL 130 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1ajm s VAL 130 CO 0.04 0.38 -0.23 -0.55 0.00 0.00 0.00 175.10 174.74 1ajm s SER 131 N 0.95 2.77 0.00 3.32 0.15 -1.26 -0.74 113.70 118.89 1ajm s SER 131 Ca -0.09 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.23 1ajm s SER 131 Cb -0.15 -0.38 0.13 0.00 -1.71 0.00 0.00 66.02 63.91 1ajm s SER 131 CO 0.00 0.28 0.92 0.00 1.20 0.00 0.00 173.24 175.64 1ajm n ALA 132 N 2.58 2.40 -2.34 5.45 0.00 -0.51 -4.70 120.51 123.39 1ajm n ALA 132 Ca -0.16 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 1ajm n ALA 132 Cb 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1ajm n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1ajm n TRP 133 N 0.51 3.93 -2.87 0.00 -0.00 -1.22 -4.78 117.44 113.01 1ajm n TRP 133 Ca 0.07 -2.97 -0.43 0.00 -0.00 0.00 0.00 57.50 54.16 1ajm n TRP 133 Cb 0.29 -2.34 -0.03 0.00 -0.00 0.00 0.00 31.31 29.23 1ajm n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1ajm s ASN 134 N 2.72 6.39 0.39 5.87 3.84 -1.26 -4.89 114.94 128.00 1ajm s ASN 134 Ca 0.46 -1.47 0.22 0.00 0.21 0.00 0.00 52.86 52.28 1ajm s ASN 134 Cb 0.07 -2.42 1.29 0.00 -0.55 0.00 0.00 41.25 39.64 1ajm s ASN 134 CO -0.01 -1.28 1.62 0.58 -2.79 0.00 0.00 177.10 175.22 1ajm h VAL 135 N 5.97 0.14 0.00 -5.21 2.07 -2.01 -0.39 116.25 116.82 1ajm h VAL 135 Ca -0.07 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1ajm h VAL 135 Cb 1.05 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1ajm h VAL 135 CO 1.17 0.02 -0.34 1.23 0.02 0.00 0.00 177.57 179.67 1ajm h GLY 136 N 0.14 0.00 -1.59 2.17 0.00 -2.00 -3.21 103.07 98.57 1ajm h GLY 136 Ca 0.80 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1ajm h GLY 136 CO -0.59 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.13 1ajm n GLU 137 N -3.64 1.78 -0.21 4.80 1.02 -0.18 -4.54 120.64 119.67 1ajm n GLU 137 Ca -0.01 -1.74 0.02 0.00 -0.02 0.00 0.00 57.16 55.41 1ajm n GLU 137 Cb 0.45 -1.37 0.13 0.00 -0.02 0.00 0.00 31.44 30.63 1ajm n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ajm h LEU 138 N 3.57 0.10 -2.13 -4.62 3.38 -1.50 -0.13 115.31 113.99 1ajm h LEU 138 Ca 0.00 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ajm h LEU 138 Cb 0.79 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ajm h LEU 138 CO 0.00 0.05 0.07 0.44 0.09 0.00 0.00 178.44 179.09 1ajm h ASP 139 N 0.33 0.00 0.34 -0.43 5.19 -1.82 -2.15 116.42 117.87 1ajm h ASP 139 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1ajm h ASP 139 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ajm h ASP 139 CO -0.39 0.00 -0.30 0.29 -3.12 0.00 0.00 179.24 175.72 1ajm n LYS 140 N -4.29 0.57 -2.79 3.56 5.02 -0.08 -4.93 118.16 115.22 1ajm n LYS 140 Ca -0.01 -0.32 -0.34 0.00 -2.02 0.00 0.00 58.31 55.63 1ajm n LYS 140 Cb 0.18 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1ajm n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ajm s MET 141 N -2.65 4.25 0.30 1.97 -1.94 -0.81 -4.23 119.30 116.19 1ajm s MET 141 Ca 0.21 1.17 0.01 0.00 -1.71 0.00 0.00 55.69 55.37 1ajm s MET 141 Cb 0.19 -2.26 0.47 0.00 2.01 0.00 0.00 34.83 35.23 1ajm s MET 141 CO 0.56 -0.02 1.85 0.00 -0.01 0.00 0.00 175.02 177.40 1ajm h ALA 142 N 2.07 1.27 -2.41 3.03 0.00 -1.29 -3.43 119.26 118.50 1ajm h ALA 142 Ca -0.49 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1ajm h ALA 142 Cb 1.19 -0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 1ajm h ALA 142 CO 0.61 0.51 -0.14 -0.48 0.00 0.00 0.00 179.25 179.75 1ajm s LEU 143 N -9.28 0.44 0.38 0.00 0.05 -1.26 -5.10 118.68 103.90 1ajm s LEU 143 Ca -0.09 0.19 -0.25 0.00 0.05 0.00 0.00 54.13 54.03 1ajm s LEU 143 Cb 0.16 1.64 -0.09 0.00 -2.05 0.00 0.00 46.19 45.84 1ajm s LEU 143 CO 0.79 -0.54 1.02 0.00 -0.55 0.00 0.00 176.35 177.07 1ajm s ALA 144 N -1.60 3.13 0.20 1.48 0.00 -1.26 -4.94 121.76 118.76 1ajm s ALA 144 Ca -0.11 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 1ajm s ALA 144 Cb -0.03 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1ajm s ALA 144 CO 0.04 -0.09 1.38 -2.30 0.00 0.00 0.00 175.76 174.78 1ajm n PRO 145 N 0.11 1.80 -0.08 0.00 -0.02 -1.26 -4.92 135.00 130.64 1ajm n PRO 145 Ca 0.04 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1ajm n PRO 145 Cb 0.50 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1ajm n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ajm s HIS 147 N -2.16 3.31 -2.20 0.00 0.00 -1.26 -1.96 115.29 111.02 1ajm s HIS 147 Ca -0.17 -1.63 0.25 0.00 -3.00 0.00 0.00 55.06 50.51 1ajm s HIS 147 Cb 0.02 -4.20 0.55 0.00 -4.00 0.00 0.00 32.58 24.95 1ajm s HIS 147 CO 0.34 -1.38 1.44 0.00 -1.00 0.00 0.00 174.74 174.14 1ajm n ALA 148 N 5.89 2.98 -3.59 -1.38 0.00 -1.11 -4.84 120.51 118.46 1ajm n ALA 148 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 1ajm n ALA 148 Cb 0.48 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1ajm n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ajm s PHE 149 N -2.30 -0.83 0.03 0.00 2.19 -1.21 -1.43 117.98 114.44 1ajm s PHE 149 Ca 0.27 1.55 0.01 0.00 0.33 0.00 0.00 56.93 59.09 1ajm s PHE 149 Cb 0.19 0.49 -0.02 0.00 -1.31 0.00 0.00 43.02 42.38 1ajm s PHE 149 CO 0.45 -0.41 -0.05 -0.59 1.83 0.00 0.00 175.22 176.46 1ajm s PHE 150 N 1.91 0.45 -0.01 10.12 -0.71 0.08 0.05 117.98 129.87 1ajm s PHE 150 Ca -0.07 -0.58 0.03 0.00 -1.04 0.00 0.00 56.93 55.26 1ajm s PHE 150 Cb -0.06 -0.29 -0.00 0.00 -1.21 0.00 0.00 43.02 41.46 1ajm s PHE 150 CO -0.17 -0.17 -0.09 -1.14 -1.34 0.00 0.00 175.22 172.31 1ajm s GLN 151 N -1.81 0.81 0.21 1.99 0.74 -0.21 -0.36 119.66 121.02 1ajm s GLN 151 Ca -0.11 -0.30 0.05 0.00 0.05 0.00 0.00 55.36 55.05 1ajm s GLN 151 Cb -0.08 -0.77 -0.03 0.00 1.10 0.00 0.00 33.01 33.22 1ajm s GLN 151 CO -0.01 0.15 0.24 -0.06 -0.55 0.00 0.00 175.29 175.06 1ajm s PHE 152 N -0.02 3.27 -0.13 1.67 0.08 0.39 -0.76 117.98 122.47 1ajm s PHE 152 Ca 0.01 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 56.94 1ajm s PHE 152 Cb -0.06 -1.52 0.04 0.00 -0.57 0.00 0.00 43.02 40.92 1ajm s PHE 152 CO -0.00 0.50 0.33 -0.47 -0.10 0.00 0.00 175.22 175.48 1ajm s TYR 153 N -1.93 -0.43 -0.08 0.36 6.14 -0.39 -4.53 117.35 116.49 1ajm s TYR 153 Ca 0.33 0.98 0.04 0.00 0.64 0.00 0.00 57.07 59.07 1ajm s TYR 153 Cb -0.09 0.15 -0.01 0.00 0.42 0.00 0.00 41.96 42.43 1ajm s TYR 153 CO 0.26 -0.24 -0.22 0.08 0.64 0.00 0.00 175.55 176.07 1ajm s VAL 154 N 0.86 2.29 -0.28 3.14 1.01 -1.25 -0.12 120.40 126.06 1ajm s VAL 154 Ca -0.06 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 1ajm s VAL 154 Cb -0.06 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1ajm s VAL 154 CO -0.06 0.56 0.69 0.00 0.00 0.00 0.00 175.10 176.29 1ajm s ALA 155 N 0.00 -1.89 -1.23 5.51 0.00 -0.90 -4.77 121.76 118.49 1ajm s ALA 155 Ca -0.08 2.43 -0.08 0.00 0.00 0.00 0.00 51.96 54.23 1ajm s ALA 155 Cb -0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1ajm s ALA 155 CO 0.05 -0.40 0.73 -0.25 0.00 0.00 0.00 175.76 175.88 1ajm n ASP 156 N 4.37 -3.20 -2.03 0.00 8.00 -1.26 -1.28 116.55 121.15 1ajm n ASP 156 Ca -0.20 -0.90 -0.08 0.00 0.71 0.00 0.00 54.79 54.32 1ajm n ASP 156 Cb 0.59 -3.85 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 1ajm n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ajm n GLY 157 N -1.61 -0.04 3.07 0.44 0.00 -1.26 -4.89 105.19 100.90 1ajm n GLY 157 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1ajm n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajm s LYS 158 N -4.20 2.60 0.00 1.61 1.02 -0.41 0.81 119.74 121.18 1ajm s LYS 158 Ca 0.00 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 54.97 1ajm s LYS 158 Cb 0.00 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1ajm s LYS 158 CO 0.00 -0.27 0.71 -1.17 -0.92 0.00 0.00 175.35 173.69 1ajm s LEU 159 N 1.35 4.41 0.31 3.17 2.96 0.59 -2.11 118.68 129.36 1ajm s LEU 159 Ca 0.03 1.31 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 1ajm s LEU 159 Cb -0.14 -3.11 -0.06 0.00 0.50 0.00 0.00 46.19 43.37 1ajm s LEU 159 CO -0.11 0.00 0.01 -0.44 -1.32 0.00 0.00 176.35 174.49 1ajm s SER 160 N 0.13 2.66 -0.21 3.68 0.01 0.84 0.22 113.70 121.03 1ajm s SER 160 Ca 0.36 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.15 1ajm s SER 160 Cb -0.19 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 65.95 1ajm s SER 160 CO 0.20 -0.49 0.54 0.00 0.41 0.00 0.00 173.24 173.91 1ajm s GLN 162 N 0.66 3.05 -0.08 0.00 0.74 0.06 0.36 119.66 124.44 1ajm s GLN 162 Ca -0.03 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.60 1ajm s GLN 162 Cb -0.05 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1ajm s GLN 162 CO -0.04 0.26 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.66 1ajm s LEU 163 N 0.18 2.77 -0.28 3.68 0.20 -0.27 -1.05 118.68 123.90 1ajm s LEU 163 Ca -0.11 -0.23 -0.07 0.00 0.69 0.00 0.00 54.13 54.40 1ajm s LEU 163 Cb -0.16 -1.59 -0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1ajm s LEU 163 CO 0.06 0.28 0.09 -0.47 -0.29 0.00 0.00 176.35 176.02 1ajm s TYR 164 N -0.31 3.13 -0.35 5.38 6.14 0.11 -0.95 117.35 130.50 1ajm s TYR 164 Ca 0.03 -0.75 -0.03 0.00 0.64 0.00 0.00 57.07 56.96 1ajm s TYR 164 Cb -0.13 -2.27 0.07 0.00 0.42 0.00 0.00 41.96 40.06 1ajm s TYR 164 CO 0.03 -0.50 0.10 -1.14 0.64 0.00 0.00 175.55 174.67 1ajm s GLN 165 N 1.55 2.25 0.41 4.97 0.74 0.17 -2.75 119.66 127.01 1ajm s GLN 165 Ca 0.04 -1.50 0.10 0.00 0.05 0.00 0.00 55.36 54.05 1ajm s GLN 165 Cb -0.17 -3.38 0.88 0.00 1.10 0.00 0.00 33.01 31.45 1ajm s GLN 165 CO 0.03 -0.82 1.99 0.07 -0.55 0.00 0.00 175.29 176.01 1ajm h ARG 166 N 8.03 0.27 -3.79 1.67 0.11 -1.66 0.10 114.38 119.12 1ajm h ARG 166 Ca -0.18 -0.04 -0.30 0.00 0.10 0.00 0.00 59.98 59.57 1ajm h ARG 166 Cb 1.06 -0.05 -0.31 0.00 1.11 0.00 0.00 29.97 31.78 1ajm h ARG 166 CO 0.61 0.31 -0.74 0.45 0.10 0.00 0.00 179.97 180.70 1ajm s SER 167 N -6.87 0.26 -0.02 0.08 0.15 -1.26 -1.40 113.70 104.64 1ajm s SER 167 Ca -0.06 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1ajm s SER 167 Cb 0.16 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1ajm s SER 167 CO 0.72 -0.05 0.04 0.00 1.20 0.00 0.00 173.24 175.16 1ajm s ASP 169 N 0.46 5.95 0.19 0.00 2.15 -1.26 0.16 116.67 124.31 1ajm s ASP 169 Ca -0.04 -1.87 -0.12 0.00 0.43 0.00 0.00 52.55 50.95 1ajm s ASP 169 Cb -0.05 -2.11 0.19 0.00 -0.30 0.00 0.00 42.92 40.65 1ajm s ASP 169 CO -0.01 -0.77 1.74 0.58 -0.17 0.00 0.00 175.17 176.53 1ajm h VAL 170 N 5.99 0.78 0.24 1.11 2.07 -0.56 -2.15 116.25 123.73 1ajm h VAL 170 Ca -0.25 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ajm h VAL 170 Cb 1.08 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ajm h VAL 170 CO 0.95 0.06 -0.11 0.15 0.02 0.00 0.00 177.57 178.63 1ajm h PHE 171 N 0.31 -0.29 0.40 1.57 3.57 -1.94 -3.30 116.94 117.27 1ajm h PHE 171 Ca 0.25 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1ajm h PHE 171 Cb 0.30 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1ajm h PHE 171 CO -0.19 -0.18 -0.19 1.25 -2.23 0.00 0.00 178.31 176.77 1ajm h LEU 172 N -0.36 -0.46 0.05 0.59 5.85 -1.95 -3.42 115.31 115.61 1ajm h LEU 172 Ca -0.03 -0.12 -0.27 0.00 0.84 0.00 0.00 57.88 58.30 1ajm h LEU 172 Cb 0.24 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ajm h LEU 172 CO 0.05 -0.09 -1.47 1.23 -0.34 0.00 0.00 178.44 177.83 1ajm h GLY 173 N -0.88 0.13 -0.82 3.75 0.00 -1.68 -3.42 103.07 100.15 1ajm h GLY 173 Ca -0.06 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1ajm h GLY 173 CO 0.09 0.29 -0.48 -0.10 0.00 0.00 0.00 176.54 176.34 1ajm n LEU 174 N -4.09 -0.86 -0.25 3.11 7.94 -0.84 -0.81 117.00 121.19 1ajm n LEU 174 Ca -0.30 1.45 0.03 0.00 -1.11 0.00 0.00 56.01 56.08 1ajm n LEU 174 Cb 0.82 -0.19 0.13 0.00 0.53 0.00 0.00 43.42 44.70 1ajm n LEU 174 CO 0.29 -1.18 0.78 -0.65 -1.11 0.00 0.00 177.39 175.52 1ajm h PRO 175 N 0.00 0.06 -0.76 1.96 0.11 -1.82 0.10 132.00 131.65 1ajm h PRO 175 Ca 0.13 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1ajm h PRO 175 Cb 0.33 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1ajm h PRO 175 CO -0.77 0.04 0.27 0.35 -0.21 0.00 0.00 178.00 177.68 1ajm h PHE 176 N 0.06 1.20 -0.34 0.65 3.04 -1.22 -2.27 116.94 118.06 1ajm h PHE 176 Ca 0.38 -0.11 -0.13 0.00 3.98 0.00 0.00 57.97 62.10 1ajm h PHE 176 Cb 0.64 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1ajm h PHE 176 CO -0.48 0.93 -0.31 -0.91 -2.02 0.00 0.00 178.31 175.52 1ajm h ASN 177 N 1.12 0.76 0.47 0.41 -0.26 0.13 -2.03 115.58 116.18 1ajm h ASN 177 Ca 0.25 -0.31 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1ajm h ASN 177 Cb 0.27 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1ajm h ASN 177 CO -0.01 1.01 -0.23 0.40 -1.06 0.00 0.00 177.43 177.54 1ajm h ILE 178 N 0.62 0.54 -0.73 2.81 2.04 -0.70 -2.36 117.51 119.73 1ajm h ILE 178 Ca 0.07 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ajm h ILE 178 Cb 0.83 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1ajm h ILE 178 CO 0.07 0.01 0.48 0.00 0.00 0.00 0.00 178.15 178.71 1ajm h ALA 179 N -0.14 1.52 0.32 1.87 0.00 -1.38 -1.72 119.26 119.73 1ajm h ALA 179 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ajm h ALA 179 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ajm h ALA 179 CO 0.11 0.43 -0.16 1.03 0.00 0.00 0.00 179.25 180.66 1ajm h SER 180 N 0.95 -0.37 0.00 0.00 0.87 -1.19 -0.56 113.55 113.25 1ajm h SER 180 Ca 0.28 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 1ajm h SER 180 Cb -0.04 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1ajm h SER 180 CO -0.07 -0.26 -0.36 1.88 -0.53 0.00 0.00 176.83 177.49 1ajm h TYR 181 N -0.43 0.56 -0.25 2.24 -1.99 -1.21 -1.93 116.97 113.96 1ajm h TYR 181 Ca -0.04 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 1ajm h TYR 181 Cb 0.33 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1ajm h TYR 181 CO -0.06 0.77 -0.11 0.00 -0.00 0.00 0.00 178.16 178.77 1ajm h ALA 182 N 1.21 1.35 -0.21 3.88 0.00 -1.16 -0.73 119.26 123.60 1ajm h ALA 182 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ajm h ALA 182 Cb 0.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ajm h ALA 182 CO 0.07 0.44 0.04 1.25 0.00 0.00 0.00 179.25 181.04 1ajm h LEU 183 N 0.38 0.33 -0.52 0.00 5.85 -0.56 -2.50 115.31 118.29 1ajm h LEU 183 Ca 0.07 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1ajm h LEU 183 Cb 0.43 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1ajm h LEU 183 CO 0.02 0.50 0.13 0.25 -0.34 0.00 0.00 178.44 179.00 1ajm h LEU 184 N 0.14 0.06 -0.98 2.25 6.46 -0.48 -1.91 115.31 120.85 1ajm h LEU 184 Ca 0.06 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1ajm h LEU 184 Cb 0.31 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1ajm h LEU 184 CO 0.00 0.05 0.08 1.62 -0.62 0.00 0.00 178.44 179.57 1ajm h VAL 185 N 0.28 1.23 -0.09 1.05 3.04 -1.05 -0.38 116.25 120.33 1ajm h VAL 185 Ca 0.26 -0.90 0.01 0.00 -1.01 0.00 0.00 66.70 65.07 1ajm h VAL 185 Cb 0.34 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1ajm h VAL 185 CO -0.32 0.33 0.01 0.45 -1.01 0.00 0.00 177.57 177.03 1ajm h HIS 186 N 0.78 0.01 0.07 3.17 3.86 -0.90 0.13 115.15 122.27 1ajm h HIS 186 Ca 0.16 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1ajm h HIS 186 Cb 0.36 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ajm h HIS 186 CO 0.02 0.00 -0.03 0.52 0.86 0.00 0.00 177.93 179.30 1ajm h MET 187 N 0.05 -0.09 -0.44 2.45 2.86 -1.15 0.63 114.93 119.23 1ajm h MET 187 Ca 0.04 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1ajm h MET 187 Cb 0.04 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.63 1ajm h MET 187 CO -0.06 -0.03 -0.29 1.98 1.06 0.00 0.00 176.91 179.56 1ajm h MET 188 N -0.12 -0.20 -0.59 1.72 -1.53 -0.86 -0.46 114.93 112.89 1ajm h MET 188 Ca -0.01 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1ajm h MET 188 Cb 0.10 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 1ajm h MET 188 CO 0.02 -0.13 0.26 0.00 0.14 0.00 0.00 176.91 177.20 1ajm h ALA 189 N 0.92 0.77 -0.40 0.39 0.00 -0.39 -1.99 119.26 118.56 1ajm h ALA 189 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ajm h ALA 189 Cb 0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ajm h ALA 189 CO -0.56 0.35 0.15 0.37 0.00 0.00 0.00 179.25 179.57 1ajm h GLN 190 N 0.81 0.31 0.00 0.00 4.15 -0.23 -0.19 115.11 119.97 1ajm h GLN 190 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1ajm h GLN 190 Cb 0.16 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1ajm h GLN 190 CO -0.02 0.21 0.00 1.96 -1.93 0.00 0.00 178.83 179.04 1ajm h GLN 191 N 0.32 0.00 -0.04 1.69 1.08 -0.45 -2.91 115.11 114.80 1ajm h GLN 191 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1ajm h GLN 191 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ajm h GLN 191 CO -0.17 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.71 1ajm n ASP 193 N 0.49 -4.52 -4.19 0.00 8.00 -0.22 -4.98 116.55 111.13 1ajm n ASP 193 Ca 0.06 -0.65 -0.13 0.00 0.71 0.00 0.00 54.79 54.78 1ajm n ASP 193 Cb 0.24 -5.04 -0.10 0.00 -0.02 0.00 0.00 41.12 36.20 1ajm n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ajm s LEU 194 N -5.73 2.48 0.22 0.64 1.43 -0.95 -5.05 118.68 111.73 1ajm s LEU 194 Ca 0.25 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1ajm s LEU 194 Cb -0.03 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1ajm s LEU 194 CO 0.71 -0.37 0.42 -1.61 0.23 0.00 0.00 176.35 175.74 1ajm s GLU 195 N -3.48 3.53 0.28 1.70 2.02 0.24 -4.42 118.70 118.57 1ajm s GLU 195 Ca 0.11 -0.32 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 1ajm s GLU 195 Cb 0.02 -2.81 -0.10 0.00 0.10 0.00 0.00 34.13 31.35 1ajm s GLU 195 CO -0.02 0.36 1.11 0.14 0.02 0.00 0.00 175.26 176.87 1ajm s VAL 196 N -1.93 3.46 0.00 2.63 -7.23 -1.26 -0.30 120.40 115.77 1ajm s VAL 196 Ca 0.39 1.46 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 1ajm s VAL 196 Cb -0.11 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 32.90 1ajm s VAL 196 CO 0.30 0.35 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 1ajm n GLY 197 N 1.20 0.73 3.87 2.32 0.00 0.61 -4.46 105.19 109.46 1ajm n GLY 197 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1ajm n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ajm s ASP 198 N -0.60 5.59 -0.17 1.61 1.01 -1.25 -1.10 116.67 121.77 1ajm s ASP 198 Ca 0.00 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 52.98 1ajm s ASP 198 Cb 0.00 -1.29 0.03 0.00 1.01 0.00 0.00 42.92 42.67 1ajm s ASP 198 CO 0.00 -0.20 -0.15 0.12 0.21 0.00 0.00 175.17 175.15 1ajm s PHE 199 N -2.18 2.38 -0.16 4.23 5.36 -0.09 -1.49 117.98 126.03 1ajm s PHE 199 Ca 0.37 -1.41 -0.05 0.00 -0.96 0.00 0.00 56.93 54.89 1ajm s PHE 199 Cb -0.07 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.88 1ajm s PHE 199 CO 0.27 -0.72 -0.01 0.08 -1.46 0.00 0.00 175.22 173.38 1ajm s VAL 200 N 1.42 4.14 -0.20 3.12 1.01 0.16 -0.84 120.40 129.21 1ajm s VAL 200 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ajm s VAL 200 Cb -0.13 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1ajm s VAL 200 CO -0.11 0.49 -0.04 0.86 0.00 0.00 0.00 175.10 176.29 1ajm s TRP 201 N 0.35 2.96 -0.11 5.22 -0.00 0.47 -1.11 118.94 126.71 1ajm s TRP 201 Ca -0.02 -0.75 0.02 0.00 -0.00 0.00 0.00 56.10 55.35 1ajm s TRP 201 Cb -0.14 -2.06 0.01 0.00 -0.00 0.00 0.00 33.47 31.28 1ajm s TRP 201 CO 0.02 -0.41 -0.17 0.99 -0.00 0.00 0.00 176.95 177.38 1ajm s THR 202 N 1.18 1.65 0.19 5.86 2.01 -0.12 -1.13 115.64 125.26 1ajm s THR 202 Ca 0.02 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1ajm s THR 202 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1ajm s THR 202 CO -0.01 0.47 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.47 1ajm s GLY 203 N 0.89 1.73 0.00 4.40 0.00 0.06 0.44 107.32 114.83 1ajm s GLY 203 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1ajm s GLY 203 CO -0.01 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.19 1ajm n GLY 204 N 0.00 0.22 3.55 0.20 0.00 0.36 -2.22 105.19 107.30 1ajm n GLY 204 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1ajm n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajm s ASP 205 N -1.00 5.67 -0.27 1.61 -1.08 -0.49 -0.93 116.67 120.18 1ajm s ASP 205 Ca 0.00 -0.12 -0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1ajm s ASP 205 Cb 0.00 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1ajm s ASP 205 CO 0.00 -2.15 0.08 -0.89 0.52 0.00 0.00 175.17 172.73 1ajm s THR 206 N 7.65 4.27 0.18 1.71 2.01 0.76 -0.07 115.64 132.15 1ajm s THR 206 Ca 0.54 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 1ajm s THR 206 Cb -0.10 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1ajm s THR 206 CO 0.16 0.25 0.16 -1.38 -0.69 0.00 0.00 174.62 173.11 1ajm s HIS 207 N 1.59 0.92 -0.01 4.92 -3.43 0.12 -0.70 115.29 118.70 1ajm s HIS 207 Ca 0.05 -1.21 0.06 0.00 -0.80 0.00 0.00 55.06 53.17 1ajm s HIS 207 Cb -0.16 -0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 30.56 1ajm s HIS 207 CO 0.04 -0.64 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.41 1ajm s LEU 208 N -3.09 2.05 0.14 5.38 1.43 -0.23 0.27 118.68 124.63 1ajm s LEU 208 Ca 0.31 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.79 1ajm s LEU 208 Cb 0.06 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 1ajm s LEU 208 CO 0.07 0.25 0.70 -0.31 0.23 0.00 0.00 176.35 177.30 1ajm s TYR 209 N -0.51 3.86 0.53 0.29 2.02 -1.26 0.14 117.35 122.42 1ajm s TYR 209 Ca 0.08 1.50 0.27 0.00 -0.37 0.00 0.00 57.07 58.55 1ajm s TYR 209 Cb -0.08 -2.67 1.41 0.00 -0.40 0.00 0.00 41.96 40.22 1ajm s TYR 209 CO -0.01 0.53 1.95 0.66 -1.57 0.00 0.00 175.55 177.11 1ajm h SER 210 N 4.34 0.03 -0.37 2.29 4.64 -1.35 0.12 113.55 123.25 1ajm h SER 210 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1ajm h SER 210 Cb 1.21 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 1ajm h SER 210 CO 0.65 0.01 0.13 -0.46 -0.87 0.00 0.00 176.83 176.30 1ajm n ASN 211 N -4.34 3.38 -0.17 4.97 6.94 -1.26 -3.46 115.26 121.31 1ajm n ASN 211 Ca 0.14 -2.60 0.05 0.00 -0.02 0.00 0.00 54.58 52.15 1ajm n ASN 211 Cb 0.74 -0.62 0.07 0.00 -2.36 0.00 0.00 39.78 37.61 1ajm n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ajm n HIS 212 N 0.06 0.00 0.05 -2.53 8.25 0.42 -4.81 115.22 116.65 1ajm n HIS 212 Ca 0.20 -0.59 -0.13 0.00 -0.26 0.00 0.00 57.72 56.94 1ajm n HIS 212 Cb 0.87 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.80 1ajm n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1ajm h MET 213 N 0.00 -0.08 -0.37 -0.41 2.86 -1.68 -1.72 114.93 113.53 1ajm h MET 213 Ca 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ajm h MET 213 Cb 1.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1ajm h MET 213 CO 0.00 0.14 0.20 -0.44 1.06 0.00 0.00 176.91 177.87 1ajm h ASP 214 N -0.29 0.47 0.03 1.22 3.32 -1.89 -0.52 116.42 118.77 1ajm h ASP 214 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ajm h ASP 214 Cb 0.25 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ajm h ASP 214 CO 0.01 0.43 -0.03 0.06 -1.72 0.00 0.00 179.24 178.00 1ajm h GLN 215 N 0.48 0.00 0.27 3.56 -0.00 -1.92 0.94 115.11 118.45 1ajm h GLN 215 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.77 1ajm h GLN 215 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1ajm h GLN 215 CO -0.02 0.03 -0.13 1.15 -0.00 0.00 0.00 178.83 179.86 1ajm h THR 216 N 0.00 0.64 -0.42 1.86 2.02 -0.33 0.34 112.91 117.02 1ajm h THR 216 Ca -0.00 -0.81 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1ajm h THR 216 Cb 0.05 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 1ajm h THR 216 CO 0.00 0.14 0.02 0.45 0.37 0.00 0.00 175.52 176.50 1ajm h HIS 217 N -0.87 0.00 0.02 3.16 3.86 -0.55 1.00 115.15 121.77 1ajm h HIS 217 Ca -0.04 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1ajm h HIS 217 Cb 0.51 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 1ajm h HIS 217 CO 0.05 -0.07 -0.44 1.25 0.86 0.00 0.00 177.93 179.58 1ajm h LEU 218 N 0.13 -1.32 -0.95 2.43 7.12 0.97 -1.62 115.31 122.07 1ajm h LEU 218 Ca 0.21 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.35 1ajm h LEU 218 Cb 0.29 0.51 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 1ajm h LEU 218 CO -0.33 -0.47 0.43 -0.61 -0.13 0.00 0.00 178.44 177.33 1ajm h GLN 219 N -0.60 1.18 0.00 1.25 4.15 0.12 -2.09 115.11 119.12 1ajm h GLN 219 Ca 0.04 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1ajm h GLN 219 Cb 0.67 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1ajm h GLN 219 CO -0.31 0.88 0.03 -0.07 -1.93 0.00 0.00 178.83 177.43 1ajm h LEU 220 N 1.18 0.00 -0.17 -2.39 4.07 0.17 -1.26 115.31 116.90 1ajm h LEU 220 Ca 0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1ajm h LEU 220 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1ajm h LEU 220 CO -0.04 0.00 -0.28 -1.54 -1.08 0.00 0.00 178.44 175.50 1ajm n SER 221 N -2.78 0.55 -4.93 -0.43 3.41 -0.68 -4.92 113.62 103.84 1ajm n SER 221 Ca -0.02 -0.37 -0.25 0.00 -0.26 0.00 0.00 58.87 57.96 1ajm n SER 221 Cb 0.08 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1ajm n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ajm s ARG 222 N -2.76 3.14 -0.16 4.33 0.52 -0.48 -5.07 118.95 118.47 1ajm s ARG 222 Ca 0.19 -0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 1ajm s ARG 222 Cb 0.19 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 1ajm s ARG 222 CO 0.58 -0.37 -0.13 -1.21 0.02 0.00 0.00 175.30 174.19 1ajm s GLU 223 N -4.72 3.28 0.32 3.54 0.41 -1.26 -5.05 118.70 115.22 1ajm s GLU 223 Ca 0.49 -0.71 -0.28 0.00 -0.41 0.00 0.00 54.97 54.06 1ajm s GLU 223 Cb -0.10 -2.70 -0.13 0.00 -1.78 0.00 0.00 34.13 29.42 1ajm s GLU 223 CO 0.41 0.01 1.09 -2.30 -0.49 0.00 0.00 175.26 173.99 1ajm n PRO 224 N 4.10 1.59 -4.11 0.39 -0.02 -1.26 -4.81 135.00 130.88 1ajm n PRO 224 Ca -0.19 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 1ajm n PRO 224 Cb 0.52 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 1ajm n PRO 224 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ajm s ARG 225 N -1.71 2.96 0.41 -0.52 1.81 -1.26 -5.02 118.95 115.62 1ajm s ARG 225 Ca 0.58 -1.03 -0.23 0.00 -1.72 0.00 0.00 55.73 53.32 1ajm s ARG 225 Cb -0.64 -2.58 -0.12 0.00 -0.45 0.00 0.00 34.95 31.16 1ajm s ARG 225 CO 0.60 0.40 0.76 -2.30 -0.68 0.00 0.00 175.30 174.09 1ajm n PRO 226 N -1.17 0.90 -2.51 3.54 -0.02 -1.26 -4.82 135.00 129.65 1ajm n PRO 226 Ca -0.08 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.34 1ajm n PRO 226 Cb 0.58 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 1ajm n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ajm s LEU 227 N 0.70 4.33 0.00 2.45 1.43 -1.26 -4.75 118.68 121.58 1ajm s LEU 227 Ca 0.64 2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 55.69 1ajm s LEU 227 Cb -0.59 -3.93 0.27 0.00 0.03 0.00 0.00 46.19 41.96 1ajm s LEU 227 CO 0.57 -0.34 1.21 -0.81 0.23 0.00 0.00 176.35 177.21 1ajm n PRO 228 N 0.50 -2.25 -4.24 1.29 -0.04 -1.26 -4.75 135.00 124.25 1ajm n PRO 228 Ca 0.02 -1.89 -0.25 0.00 -0.04 0.00 0.00 63.50 61.34 1ajm n PRO 228 Cb 0.47 -1.51 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 1ajm n PRO 228 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ajm s LYS 229 N -5.68 1.48 0.09 0.54 2.20 0.24 -1.48 119.74 117.13 1ajm s LYS 229 Ca 0.73 -0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.78 1ajm s LYS 229 Cb -0.05 -1.39 -0.06 0.00 -1.51 0.00 0.00 37.83 34.83 1ajm s LYS 229 CO 0.54 -0.11 0.82 -1.17 -0.36 0.00 0.00 175.35 175.06 1ajm s LEU 230 N 1.14 4.50 -0.08 5.43 2.96 -1.26 -0.36 118.68 131.01 1ajm s LEU 230 Ca -0.06 1.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1ajm s LEU 230 Cb -0.14 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.22 1ajm s LEU 230 CO -0.02 0.04 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.43 1ajm s ILE 231 N -0.31 1.13 -0.41 6.68 -1.16 0.69 -4.98 121.20 122.84 1ajm s ILE 231 Ca 0.40 -0.44 -0.16 0.00 -0.51 0.00 0.00 60.65 59.95 1ajm s ILE 231 Cb -0.22 -1.07 0.02 0.00 0.61 0.00 0.00 42.46 41.80 1ajm s ILE 231 CO 0.26 0.37 0.33 -0.63 -2.81 0.00 0.00 174.94 172.45 1ajm s ILE 232 N 0.99 5.22 -2.00 2.00 1.01 -1.26 -1.06 121.20 126.10 1ajm s ILE 232 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1ajm s ILE 232 Cb -0.15 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.46 1ajm s ILE 232 CO -0.00 -0.33 0.88 0.29 0.00 0.00 0.00 174.94 175.78 1ajm n LYS 233 N 5.27 0.74 -3.58 2.79 5.02 0.42 -4.87 118.16 123.94 1ajm n LYS 233 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1ajm n LYS 233 Cb 0.47 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 1ajm n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ajm s ARG 234 N -2.00 0.49 -0.32 1.97 3.52 -1.26 -5.02 118.95 116.33 1ajm s ARG 234 Ca 0.05 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 1ajm s ARG 234 Cb 0.02 0.21 0.10 0.00 -1.56 0.00 0.00 34.95 33.72 1ajm s ARG 234 CO 0.04 -0.22 0.07 0.21 -0.81 0.00 0.00 175.30 174.59 1ajm s LYS 235 N -2.64 1.08 1.12 5.12 2.20 -1.26 -5.07 119.74 120.29 1ajm s LYS 235 Ca 0.09 -1.44 -0.13 0.00 -0.36 0.00 0.00 55.97 54.13 1ajm s LYS 235 Cb -0.00 -2.56 0.26 0.00 -1.51 0.00 0.00 37.83 34.02 1ajm s LYS 235 CO -0.05 -0.96 1.05 -2.14 -0.36 0.00 0.00 175.35 172.88 1ajm s PRO 236 N 1.28 -0.57 0.15 4.03 0.02 -1.26 -4.92 135.00 133.72 1ajm s PRO 236 Ca 0.10 0.72 0.26 0.00 0.02 0.00 0.00 61.00 62.10 1ajm s PRO 236 Cb -0.18 -1.60 0.94 0.00 0.02 0.00 0.00 34.50 33.67 1ajm s PRO 236 CO -0.17 -3.46 1.79 -1.91 -0.33 0.00 0.00 177.00 172.92 1ajm n GLU 237 N -4.72 0.17 -3.74 5.54 2.13 -1.26 -4.89 120.64 113.87 1ajm n GLU 237 Ca 0.03 0.19 -0.09 0.00 0.66 0.00 0.00 57.16 57.96 1ajm n GLU 237 Cb 0.55 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 1ajm n GLU 237 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ajm s SER 238 N -3.99 -0.32 0.54 4.31 0.15 -1.26 -5.01 113.70 108.12 1ajm s SER 238 Ca 0.10 -0.46 0.36 0.00 0.70 0.00 0.00 55.95 56.65 1ajm s SER 238 Cb 0.13 0.66 1.72 0.00 -1.71 0.00 0.00 66.02 66.83 1ajm s SER 238 CO 0.53 -1.19 2.07 -0.29 1.20 0.00 0.00 173.24 175.56 1ajm h ILE 239 N 2.05 0.00 -0.13 6.45 6.09 -1.95 -1.79 117.51 128.23 1ajm h ILE 239 Ca -0.25 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1ajm h ILE 239 Cb 1.27 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.71 1ajm h ILE 239 CO 0.30 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.87 1ajm n PHE 240 N -2.91 0.16 -0.83 2.19 3.72 -1.26 -4.16 117.46 114.37 1ajm n PHE 240 Ca -0.01 -0.08 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 1ajm n PHE 240 Cb 0.18 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.99 1ajm n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ajm n ASP 241 N 0.71 4.09 -4.78 4.37 8.00 -0.67 -4.99 116.55 123.28 1ajm n ASP 241 Ca 0.17 -2.81 -0.36 0.00 0.71 0.00 0.00 54.79 52.50 1ajm n ASP 241 Cb 0.45 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1ajm n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ajm s TYR 242 N -2.47 3.22 0.23 1.24 1.51 -1.26 -4.83 117.35 115.00 1ajm s TYR 242 Ca 0.42 1.63 0.11 0.00 -1.01 0.00 0.00 57.07 58.22 1ajm s TYR 242 Cb 0.32 -3.14 -0.05 0.00 -0.11 0.00 0.00 41.96 38.99 1ajm s TYR 242 CO 0.12 -0.70 -0.20 1.03 -1.11 0.00 0.00 175.55 174.69 1ajm s ARG 243 N -2.58 1.66 0.45 -0.62 0.52 -1.26 -5.02 118.95 112.10 1ajm s ARG 243 Ca 0.59 -1.60 0.19 0.00 -0.52 0.00 0.00 55.73 54.40 1ajm s ARG 243 Cb -0.22 -1.85 1.16 0.00 0.52 0.00 0.00 34.95 34.56 1ajm s ARG 243 CO 0.27 0.37 1.92 0.35 0.02 0.00 0.00 175.30 178.23 1ajm h PHE 244 N 2.76 0.36 0.00 -0.53 3.57 -1.96 -2.39 116.94 118.74 1ajm h PHE 244 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ajm h PHE 244 Cb 1.23 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1ajm h PHE 244 CO 0.73 0.13 -0.07 -0.85 -2.23 0.00 0.00 178.31 176.01 1ajm n GLU 245 N -4.45 0.13 0.22 1.11 0.00 -1.26 -3.77 120.64 112.63 1ajm n GLU 245 Ca 0.15 0.10 0.15 0.00 0.00 0.00 0.00 57.16 57.56 1ajm n GLU 245 Cb 0.61 -1.64 0.67 0.00 0.00 0.00 0.00 31.44 31.08 1ajm n GLU 245 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ajm h ASP 246 N 0.00 0.00 -2.85 -1.84 3.32 -1.81 -3.44 116.42 109.80 1ajm h ASP 246 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1ajm h ASP 246 Cb 0.62 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1ajm h ASP 246 CO 0.00 0.00 -0.47 -0.36 -1.72 0.00 0.00 179.24 176.69 1ajm s PHE 247 N -3.58 3.55 -0.26 4.55 0.08 -1.25 0.16 117.98 121.22 1ajm s PHE 247 Ca 0.01 0.39 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 1ajm s PHE 247 Cb 0.09 -1.85 0.09 0.00 -0.57 0.00 0.00 43.02 40.78 1ajm s PHE 247 CO 0.44 0.62 0.61 -2.00 -0.10 0.00 0.00 175.22 174.80 1ajm s GLU 248 N -2.02 0.59 -0.19 0.44 2.12 -0.22 -4.94 118.70 114.47 1ajm s GLU 248 Ca 0.29 1.20 -0.11 0.00 0.36 0.00 0.00 54.97 56.71 1ajm s GLU 248 Cb -0.13 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 1ajm s GLU 248 CO 0.20 -0.17 0.17 -1.50 -0.54 0.00 0.00 175.26 173.41 1ajm s ILE 249 N 2.03 5.38 -0.03 -3.70 1.10 -1.26 -0.23 121.20 124.49 1ajm s ILE 249 Ca -0.08 0.27 0.07 0.00 -0.51 0.00 0.00 60.65 60.40 1ajm s ILE 249 Cb -0.08 -3.51 -0.02 0.00 0.15 0.00 0.00 42.46 39.01 1ajm s ILE 249 CO -0.18 0.42 -0.25 -0.70 -2.11 0.00 0.00 174.94 172.13 1ajm s GLU 250 N 0.42 2.16 0.00 3.50 2.12 0.52 -4.71 118.70 122.71 1ajm s GLU 250 Ca 0.10 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1ajm s GLU 250 Cb -0.12 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1ajm s GLU 250 CO -0.00 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1ajm n GLY 251 N 2.63 0.65 3.50 -1.50 0.00 -1.26 0.79 105.19 109.99 1ajm n GLY 251 Ca -0.16 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1ajm n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ajm s TYR 252 N -2.00 3.21 -0.53 1.61 5.04 -1.26 -4.12 117.35 119.30 1ajm s TYR 252 Ca 0.00 -0.30 0.07 0.00 -2.44 0.00 0.00 57.07 54.40 1ajm s TYR 252 Cb 0.00 -2.70 0.25 0.00 0.35 0.00 0.00 41.96 39.86 1ajm s TYR 252 CO 0.00 -0.55 0.65 -3.47 -1.34 0.00 0.00 175.55 170.84 1ajm n ASP 253 N 5.37 2.19 -4.81 4.32 2.03 -1.26 -5.09 116.55 119.30 1ajm n ASP 253 Ca -0.09 -3.12 -0.31 0.00 0.52 0.00 0.00 54.79 51.79 1ajm n ASP 253 Cb 0.48 -0.65 0.06 0.00 -0.72 0.00 0.00 41.12 40.28 1ajm n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ajm s PRO 254 N -1.94 2.81 1.07 -0.67 0.04 -1.26 -4.88 135.00 130.18 1ajm s PRO 254 Ca 0.38 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 1ajm s PRO 254 Cb 0.16 -1.97 0.23 0.00 0.04 0.00 0.00 34.50 32.96 1ajm s PRO 254 CO -0.06 -1.20 1.17 -1.01 0.04 0.00 0.00 177.00 175.95 1ajm s HIS 255 N -3.01 1.23 0.65 0.56 3.76 0.11 -4.80 115.29 113.80 1ajm s HIS 255 Ca 0.59 0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 55.85 1ajm s HIS 255 Cb -0.15 -3.62 -0.01 0.00 1.11 0.00 0.00 32.58 29.91 1ajm s HIS 255 CO 0.55 -3.22 1.30 -2.14 -0.85 0.00 0.00 174.74 170.37 1ajm s PRO 256 N -5.50 2.54 0.97 8.40 0.02 -1.26 -1.26 135.00 138.91 1ajm s PRO 256 Ca 0.70 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.68 1ajm s PRO 256 Cb -0.09 -1.84 0.17 0.00 0.02 0.00 0.00 34.50 32.76 1ajm s PRO 256 CO 0.55 -1.61 1.10 0.20 -0.33 0.00 0.00 177.00 176.91 1ajm s GLY 257 N -1.39 1.63 -0.04 0.52 0.00 -1.26 -3.30 107.32 103.48 1ajm s GLY 257 Ca 0.83 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 1ajm s GLY 257 CO 0.40 0.74 0.05 -0.42 0.00 0.00 0.00 173.10 173.87 1ajm s ILE 258 N -2.67 -0.06 0.19 0.90 1.01 -1.26 -4.82 121.20 114.48 1ajm s ILE 258 Ca 0.66 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 1ajm s ILE 258 Cb -0.22 -0.15 -0.07 0.00 0.01 0.00 0.00 42.46 42.02 1ajm s ILE 258 CO 0.59 0.16 0.60 -0.54 0.00 0.00 0.00 174.94 175.75 1ajm s LYS 259 N 1.81 4.01 -0.32 2.79 -0.14 -1.26 -5.05 119.74 121.58 1ajm s LYS 259 Ca 0.00 0.55 -0.02 0.00 -1.36 0.00 0.00 55.97 55.14 1ajm s LYS 259 Cb -0.12 -2.83 0.11 0.00 -1.68 0.00 0.00 37.83 33.31 1ajm s LYS 259 CO -0.03 0.41 0.15 0.00 -0.76 0.00 0.00 175.35 175.12 1ajm s ALA 260 N -1.58 0.93 1.04 5.17 0.00 -1.26 -4.95 121.76 121.11 1ajm s ALA 260 Ca 0.42 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 1ajm s ALA 260 Cb -0.14 -1.51 0.21 0.00 0.00 0.00 0.00 23.12 21.68 1ajm s ALA 260 CO 0.20 -1.78 1.08 -1.25 0.00 0.00 0.00 175.76 174.00 1ajm s PRO 261 N 1.68 0.08 0.16 0.00 0.04 -1.26 -5.03 135.00 130.67 1ajm s PRO 261 Ca 0.12 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.32 1ajm s PRO 261 Cb -0.18 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1ajm s PRO 261 CO -0.24 -3.13 -0.12 0.14 0.04 0.00 0.00 177.00 173.69 1ajm s VAL 262 N -2.59 1.36 0.82 -0.36 -7.23 -1.26 -4.94 120.40 106.19 1ajm s VAL 262 Ca 0.67 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1ajm s VAL 262 Cb -0.23 -1.82 0.17 0.00 0.56 0.00 0.00 36.38 35.05 1ajm s VAL 262 CO 0.61 -0.63 1.13 0.00 -0.31 0.00 0.00 175.10 175.90 1ajm s ALA 263 N -2.95 3.24 0.00 1.32 0.00 -1.26 -5.24 121.76 116.86 1ajm s ALA 263 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1ajm s ALA 263 Cb -0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1ajm s ALA 263 CO 0.03 -1.88 0.00 0.44 0.00 0.00 0.00 175.76 174.34