#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nja h LEU 2 N 0.00 0.49 -0.65 4.03 5.85 -1.97 -2.45 115.31 120.60 1nja h LEU 2 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1nja h LEU 2 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nja h LEU 2 CO 0.00 0.22 0.00 -1.84 -0.34 0.00 0.00 178.44 176.48 1nja n GLU 3 N -4.53 1.44 -0.26 1.25 0.28 -1.26 -4.34 120.64 113.23 1nja n GLU 3 Ca 0.18 -0.65 0.05 0.00 -0.16 0.00 0.00 57.16 56.58 1nja n GLU 3 Cb 0.60 -1.44 0.18 0.00 1.43 0.00 0.00 31.44 32.21 1nja n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1nja h GLN 4 N 1.47 0.48 -1.00 3.44 5.75 -1.88 -1.48 115.11 121.89 1nja h GLN 4 Ca 0.00 -0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.69 1nja h GLN 4 Cb 0.32 -0.11 -0.12 0.00 1.07 0.00 0.00 27.48 28.64 1nja h GLN 4 CO 0.00 0.32 0.60 -1.35 -2.65 0.00 0.00 178.83 175.75 1nja h PRO 5 N 0.49 0.66 -0.46 -2.39 0.11 -1.84 0.29 132.00 128.85 1nja h PRO 5 Ca 0.41 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 1nja h PRO 5 Cb 0.58 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1nja h PRO 5 CO -0.37 0.43 -0.02 -0.92 -0.21 0.00 0.00 178.00 176.91 1nja h TYR 6 N 0.68 0.92 -0.78 0.65 3.20 -1.60 -0.50 116.97 119.54 1nja h TYR 6 Ca 0.61 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 1nja h TYR 6 Cb 1.05 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1nja h TYR 6 CO -0.01 0.89 0.38 -0.07 -1.64 0.00 0.00 178.16 177.71 1nja h LEU 7 N 0.68 1.01 -1.37 2.82 3.38 -0.42 -1.37 115.31 120.05 1nja h LEU 7 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1nja h LEU 7 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nja h LEU 7 CO 0.03 0.86 -0.30 0.44 0.09 0.00 0.00 178.44 179.56 1nja h ASP 8 N 1.10 0.00 -0.16 -0.43 3.32 -0.44 -0.10 116.42 119.71 1nja h ASP 8 Ca 0.27 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1nja h ASP 8 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1nja h ASP 8 CO -0.03 0.30 -0.37 0.25 -1.72 0.00 0.00 179.24 177.67 1nja h LEU 9 N 0.00 0.60 -0.36 1.55 6.46 -0.41 -0.94 115.31 122.21 1nja h LEU 9 Ca -0.00 -0.57 -0.03 0.00 -0.12 0.00 0.00 57.88 57.16 1nja h LEU 9 Cb 0.61 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1nja h LEU 9 CO 0.04 1.06 0.10 0.00 -0.62 0.00 0.00 178.44 179.01 1nja h ALA 10 N 0.56 0.48 0.01 1.25 0.00 -0.72 -0.86 119.26 119.97 1nja h ALA 10 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nja h ALA 10 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1nja h ALA 10 CO 0.08 0.14 -0.03 0.87 0.00 0.00 0.00 179.25 180.30 1nja h LYS 11 N 0.43 -0.06 -0.32 0.00 1.79 -1.06 -1.62 116.57 115.72 1nja h LYS 11 Ca 0.11 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1nja h LYS 11 Cb 0.29 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1nja h LYS 11 CO -0.00 -0.04 -0.12 -0.22 -1.08 0.00 0.00 179.45 177.99 1nja h LYS 12 N -0.06 -0.06 -0.30 3.15 3.64 -0.89 0.14 116.57 122.19 1nja h LYS 12 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1nja h LYS 12 Cb 0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1nja h LYS 12 CO -0.03 -0.04 0.11 0.28 -2.27 0.00 0.00 179.45 177.50 1nja h VAL 13 N -0.06 1.19 0.00 2.00 2.07 -1.05 0.44 116.25 120.83 1nja h VAL 13 Ca 0.16 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1nja h VAL 13 Cb 0.30 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1nja h VAL 13 CO -0.37 0.20 -0.04 0.25 0.02 0.00 0.00 177.57 177.64 1nja h LEU 14 N 0.33 0.00 0.02 2.57 5.85 -0.48 0.50 115.31 124.09 1nja h LEU 14 Ca 0.10 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.43 1nja h LEU 14 Cb 0.20 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1nja h LEU 14 CO -0.01 0.04 -2.39 0.47 -0.34 0.00 0.00 178.44 176.21 1nja n ASP 15 N -4.48 2.00 -0.00 1.25 8.00 0.40 -4.67 116.55 119.05 1nja n ASP 15 Ca -0.03 -0.01 0.07 0.00 0.71 0.00 0.00 54.79 55.53 1nja n ASP 15 Cb 0.12 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1nja n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nja n GLU 16 N -3.44 1.86 -2.10 -1.24 1.02 0.15 -5.01 120.64 111.87 1nja n GLU 16 Ca -0.45 -0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.28 1nja n GLU 16 Cb 0.98 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 31.16 1nja n GLU 16 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nja s GLY 17 N -2.57 2.97 0.14 0.62 0.00 0.17 -4.96 107.32 103.69 1nja s GLY 17 Ca 0.04 1.24 0.02 0.00 0.00 0.00 0.00 44.72 46.02 1nja s GLY 17 CO 0.62 1.86 0.28 0.30 0.00 0.00 0.00 173.10 176.16 1nja s HIS 18 N -1.19 3.49 0.30 1.90 3.76 -1.02 -4.69 115.29 117.84 1nja s HIS 18 Ca 0.52 0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 55.29 1nja s HIS 18 Cb -0.39 -1.69 -0.09 0.00 1.11 0.00 0.00 32.58 31.52 1nja s HIS 18 CO 0.51 0.52 1.11 0.12 -0.85 0.00 0.00 174.74 176.15 1nja s PHE 19 N -1.71 3.50 -0.09 1.40 2.19 -1.26 -0.46 117.98 121.54 1nja s PHE 19 Ca 0.35 1.68 -0.04 0.00 0.33 0.00 0.00 56.93 59.25 1nja s PHE 19 Cb -0.11 -3.29 0.05 0.00 -1.31 0.00 0.00 43.02 38.35 1nja s PHE 19 CO 0.28 -0.65 0.18 0.21 1.83 0.00 0.00 175.22 177.07 1nja s LYS 20 N -1.61 0.08 0.77 10.12 2.20 0.21 -4.90 119.74 126.60 1nja s LYS 20 Ca 0.47 0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 56.50 1nja s LYS 20 Cb -0.31 -0.20 0.06 0.00 -1.51 0.00 0.00 37.83 35.86 1nja s LYS 20 CO 0.40 -0.26 1.14 -1.25 -0.36 0.00 0.00 175.35 175.02 1nja s PRO 21 N 2.01 2.05 0.23 4.03 0.04 -1.26 -1.19 135.00 140.90 1nja s PRO 21 Ca -0.01 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1nja s PRO 21 Cb -0.12 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1nja s PRO 21 CO -0.06 -1.85 0.08 0.16 0.04 0.00 0.00 177.00 175.36 1nja s ASP 22 N -2.62 1.09 0.12 6.66 -4.77 -1.26 -4.80 116.67 111.08 1nja s ASP 22 Ca 0.68 -1.33 -0.34 0.00 -3.30 0.00 0.00 52.55 48.26 1nja s ASP 22 Cb -0.23 0.17 -0.13 0.00 -1.09 0.00 0.00 42.92 41.65 1nja s ASP 22 CO 0.50 -0.70 1.55 -0.09 0.70 0.00 0.00 175.17 177.13 1nja h ARG 23 N 2.49 -0.58 -0.07 2.11 2.43 -1.97 -0.46 114.38 118.33 1nja h ARG 23 Ca -0.38 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1nja h ARG 23 Cb 1.24 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1nja h ARG 23 CO 0.60 -0.39 0.08 1.79 -1.51 0.00 0.00 179.97 180.55 1nja h THR 24 N -0.60 0.50 0.00 0.20 1.35 -1.93 -3.46 112.91 108.97 1nja h THR 24 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1nja h THR 24 Cb 0.69 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1nja h THR 24 CO -0.42 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.26 1nja n HIS 25 N -3.83 0.00 -3.65 4.73 8.25 -0.18 -4.98 115.22 115.56 1nja n HIS 25 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1nja n HIS 25 Cb 0.18 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.08 1nja n HIS 25 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1nja n THR 26 N -2.50 2.51 0.00 1.59 5.66 -1.26 -4.87 114.28 115.42 1nja n THR 26 Ca 0.00 -5.10 0.00 0.00 -3.05 0.00 0.00 64.05 55.90 1nja n THR 26 Cb 0.00 -2.23 0.00 0.00 -1.55 0.00 0.00 70.33 66.55 1nja n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nja n GLY 27 N 1.78 0.00 3.42 1.09 0.00 -1.26 -4.32 105.19 105.90 1nja n GLY 27 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1nja n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nja s THR 28 N 0.00 0.83 -0.17 2.61 -4.23 -0.33 -1.36 115.64 112.99 1nja s THR 28 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1nja s THR 28 Cb 0.00 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1nja s THR 28 CO 0.00 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.67 1nja s TYR 29 N -3.43 2.87 0.04 3.99 2.02 -0.24 -0.62 117.35 121.98 1nja s TYR 29 Ca 0.34 -0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1nja s TYR 29 Cb 0.07 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1nja s TYR 29 CO 0.15 -0.39 -0.02 -1.54 -1.57 0.00 0.00 175.55 172.17 1nja s SER 30 N 0.87 0.42 0.11 2.29 1.04 0.39 -1.11 113.70 117.71 1nja s SER 30 Ca -0.03 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 55.59 1nja s SER 30 Cb -0.15 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1nja s SER 30 CO 0.00 -0.53 -0.14 0.27 0.98 0.00 0.00 173.24 173.82 1nja s ILE 31 N -3.33 1.27 -0.14 -1.02 -4.36 -0.69 -2.44 121.20 110.49 1nja s ILE 31 Ca 0.01 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1nja s ILE 31 Cb 0.04 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.31 1nja s ILE 31 CO -0.08 -0.39 -0.19 0.12 0.24 0.00 0.00 174.94 174.65 1nja s PHE 32 N -1.99 2.71 0.00 1.37 5.36 -1.26 -1.86 117.98 122.32 1nja s PHE 32 Ca 0.07 -1.17 0.00 0.00 -0.96 0.00 0.00 56.93 54.86 1nja s PHE 32 Cb -0.06 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1nja s PHE 32 CO 0.03 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 1nja n GLY 33 N 4.01 -2.06 3.53 13.12 0.00 -0.43 -5.03 105.19 118.33 1nja n GLY 33 Ca -0.19 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1nja n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nja s HIS 34 N 0.00 -0.56 -0.10 1.61 5.04 -1.20 -4.97 115.29 115.12 1nja s HIS 34 Ca 0.00 0.90 -0.08 0.00 -1.54 0.00 0.00 55.06 54.34 1nja s HIS 34 Cb 0.00 0.44 0.03 0.00 0.04 0.00 0.00 32.58 33.08 1nja s HIS 34 CO 0.00 -0.54 0.25 -1.14 -2.34 0.00 0.00 174.74 170.97 1nja s GLN 35 N -1.40 0.28 -0.05 2.88 0.74 -1.26 -0.12 119.66 120.73 1nja s GLN 35 Ca -0.07 0.38 -0.08 0.00 0.05 0.00 0.00 55.36 55.65 1nja s GLN 35 Cb -0.00 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.22 1nja s GLN 35 CO 0.05 -0.06 0.19 0.00 -0.55 0.00 0.00 175.29 174.93 1nja s MET 36 N 0.32 0.33 0.08 1.67 0.23 -0.55 -4.98 119.30 116.41 1nja s MET 36 Ca -0.02 0.05 0.09 0.00 -1.03 0.00 0.00 55.69 54.78 1nja s MET 36 Cb -0.03 0.15 -0.03 0.00 -1.53 0.00 0.00 34.83 33.39 1nja s MET 36 CO -0.01 -0.06 -0.23 -0.98 -2.03 0.00 0.00 175.02 171.70 1nja s ARG 37 N -0.41 1.37 -0.10 3.16 1.70 -1.26 -0.52 118.95 122.89 1nja s ARG 37 Ca -0.05 -1.13 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 1nja s ARG 37 Cb -0.03 -1.63 0.01 0.00 -0.57 0.00 0.00 34.95 32.72 1nja s ARG 37 CO 0.01 0.40 -0.18 -0.06 -1.08 0.00 0.00 175.30 174.39 1nja s PHE 38 N -0.98 2.10 -0.84 5.89 0.08 0.77 -4.95 117.98 120.04 1nja s PHE 38 Ca 0.09 -0.92 -0.23 0.00 0.12 0.00 0.00 56.93 56.00 1nja s PHE 38 Cb -0.10 -1.47 0.07 0.00 -0.57 0.00 0.00 43.02 40.96 1nja s PHE 38 CO 0.04 -0.43 1.22 0.34 -0.10 0.00 0.00 175.22 176.28 1nja s ASP 39 N 0.70 6.37 0.00 1.36 -1.08 -1.26 -0.68 116.67 122.08 1nja s ASP 39 Ca -0.12 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 1nja s ASP 39 Cb -0.16 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1nja s ASP 39 CO 0.03 -1.47 0.73 0.18 0.52 0.00 0.00 175.17 175.16 1nja n LEU 40 N 8.17 0.00 -0.03 -1.34 4.32 -0.31 -0.83 117.00 126.99 1nja n LEU 40 Ca 0.15 0.26 0.13 0.00 -0.02 0.00 0.00 56.01 56.53 1nja n LEU 40 Cb 0.49 -0.26 0.48 0.00 -1.62 0.00 0.00 43.42 42.51 1nja n LEU 40 CO 0.63 -0.26 0.75 -1.54 -1.22 0.00 0.00 177.39 175.75 1nja n SER 41 N -1.23 0.31 0.05 -1.43 3.41 -1.25 -3.59 113.62 109.88 1nja n SER 41 Ca 0.00 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1nja n SER 41 Cb 0.05 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 1nja n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nja n LYS 42 N -1.35 0.57 -3.03 4.33 4.01 -0.01 -5.08 118.16 117.60 1nja n LYS 42 Ca 0.08 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1nja n LYS 42 Cb 0.32 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1nja n LYS 42 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nja n GLY 43 N 1.25 -1.29 3.64 0.72 0.00 -1.24 -4.87 105.19 103.40 1nja n GLY 43 Ca -0.01 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 1nja n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nja s PHE 44 N -2.35 3.29 0.00 1.61 5.36 0.18 -4.57 117.98 121.51 1nja s PHE 44 Ca 0.00 0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 56.17 1nja s PHE 44 Cb 0.00 -2.31 -0.09 0.00 -0.34 0.00 0.00 43.02 40.29 1nja s PHE 44 CO 0.00 0.01 1.52 -0.35 -1.46 0.00 0.00 175.22 174.93 1nja n PRO 45 N 4.49 0.68 -3.35 10.12 -0.04 -1.26 -4.02 135.00 141.62 1nja n PRO 45 Ca -0.14 -0.32 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 1nja n PRO 45 Cb 0.52 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1nja n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1nja s LEU 46 N 0.00 4.43 -0.16 1.53 2.96 -1.26 -4.45 118.68 121.73 1nja s LEU 46 Ca 0.21 -0.19 -0.41 0.00 -0.22 0.00 0.00 54.13 53.52 1nja s LEU 46 Cb 0.10 -2.42 -0.18 0.00 0.50 0.00 0.00 46.19 44.19 1nja s LEU 46 CO 0.00 -0.39 1.39 0.18 -1.32 0.00 0.00 176.35 176.21 1nja n LEU 47 N 5.50 1.11 -0.00 -0.68 4.32 -1.26 -4.77 117.00 121.22 1nja n LEU 47 Ca -0.08 1.14 0.11 0.00 -0.02 0.00 0.00 56.01 57.16 1nja n LEU 47 Cb 0.49 -1.01 -0.13 0.00 -1.62 0.00 0.00 43.42 41.15 1nja n LEU 47 CO 0.42 -1.17 -0.39 0.35 -1.22 0.00 0.00 177.39 175.38 1nja n THR 48 N 2.94 0.02 1.99 -5.08 -2.24 -1.26 -4.19 114.28 106.46 1nja n THR 48 Ca 0.24 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1nja n THR 48 Cb 0.08 0.45 0.82 0.00 -2.10 0.00 0.00 70.33 69.58 1nja n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nja n THR 49 N -1.91 0.00 -3.64 4.28 -2.24 -1.26 0.19 114.28 109.70 1nja n THR 49 Ca -0.00 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1nja n THR 49 Cb 0.46 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 1nja n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nja s LYS 50 N -2.00 0.49 0.01 -0.78 2.20 -1.26 -4.65 119.74 113.75 1nja s LYS 50 Ca 0.42 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1nja s LYS 50 Cb 0.19 0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.54 1nja s LYS 50 CO 0.32 -0.10 1.73 0.21 -0.36 0.00 0.00 175.35 177.15 1nja s LYS 51 N 1.39 4.18 -0.15 4.03 2.20 -1.08 -4.71 119.74 125.60 1nja s LYS 51 Ca -0.09 2.33 0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1nja s LYS 51 Cb -0.04 -3.91 -0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1nja s LYS 51 CO -0.16 -0.84 -0.16 0.08 -0.36 0.00 0.00 175.35 173.91 1nja s VAL 52 N 3.70 2.62 -0.79 4.02 1.01 -1.26 -4.72 120.40 124.98 1nja s VAL 52 Ca 0.77 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1nja s VAL 52 Cb -0.37 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1nja s VAL 52 CO 0.33 0.52 1.70 -2.16 0.00 0.00 0.00 175.10 175.49 1nja s PRO 53 N 0.71 2.88 0.22 2.72 0.04 -1.26 -4.85 135.00 135.47 1nja s PRO 53 Ca -0.07 -0.10 -0.08 0.00 0.04 0.00 0.00 61.00 60.79 1nja s PRO 53 Cb -0.16 -4.69 0.23 0.00 0.04 0.00 0.00 34.50 29.92 1nja s PRO 53 CO 0.01 -2.71 1.87 0.35 0.04 0.00 0.00 177.00 176.57 1nja h PHE 54 N 12.09 0.99 -0.83 0.56 3.57 -1.99 -2.21 116.94 129.12 1nja h PHE 54 Ca -0.09 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.60 1nja h PHE 54 Cb 1.07 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 1nja h PHE 54 CO 1.15 0.58 0.55 0.78 -2.23 0.00 0.00 178.31 179.13 1nja h GLY 55 N 1.03 0.84 1.77 2.40 0.00 -2.00 0.34 103.07 107.46 1nja h GLY 55 Ca 0.32 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 1nja h GLY 55 CO -0.11 0.04 -0.79 1.41 0.00 0.00 0.00 176.54 177.10 1nja h LEU 56 N 0.46 0.27 0.14 3.11 3.38 -1.79 -2.44 115.31 118.44 1nja h LEU 56 Ca 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1nja h LEU 56 Cb 0.93 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1nja h LEU 56 CO -0.15 0.95 -0.07 0.40 0.09 0.00 0.00 178.44 179.66 1nja h ILE 57 N 0.13 0.96 -0.26 1.22 2.04 -0.22 -2.78 117.51 118.62 1nja h ILE 57 Ca -0.03 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 1nja h ILE 57 Cb 1.37 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1nja h ILE 57 CO 0.12 0.10 -0.41 0.07 0.00 0.00 0.00 178.15 178.03 1nja h LYS 58 N -0.39 0.74 -0.57 2.37 2.10 -1.02 -1.66 116.57 118.13 1nja h LYS 58 Ca -0.02 -0.45 0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1nja h LYS 58 Cb 0.31 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 1nja h LYS 58 CO 0.03 1.07 0.38 0.66 -2.00 0.00 0.00 179.45 179.59 1nja h SER 59 N 0.47 0.62 -0.09 7.07 4.64 -1.52 0.10 113.55 124.84 1nja h SER 59 Ca 0.02 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 1nja h SER 59 Cb 1.01 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1nja h SER 59 CO 0.09 0.44 -0.53 -0.08 -0.87 0.00 0.00 176.83 175.88 1nja h GLU 60 N 0.72 0.67 -0.33 4.77 4.81 -1.37 -2.42 114.58 121.43 1nja h GLU 60 Ca 0.22 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1nja h GLU 60 Cb -0.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1nja h GLU 60 CO -0.05 1.03 -0.03 1.25 -0.73 0.00 0.00 179.01 180.48 1nja h LEU 61 N 0.52 0.60 -1.37 1.64 5.85 -0.19 -2.39 115.31 119.96 1nja h LEU 61 Ca 0.01 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1nja h LEU 61 Cb 1.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1nja h LEU 61 CO 0.11 0.78 0.15 -0.07 -0.34 0.00 0.00 178.44 179.07 1nja h LEU 62 N 0.40 0.52 -0.69 2.25 -0.00 -0.86 -0.67 115.31 116.26 1nja h LEU 62 Ca 0.09 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1nja h LEU 62 Cb 0.49 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 1nja h LEU 62 CO 0.02 0.49 0.41 -0.25 -0.00 0.00 0.00 178.44 179.12 1nja h TRP 63 N 0.58 0.91 -0.05 1.13 7.01 -1.18 -2.14 115.95 122.20 1nja h TRP 63 Ca 0.14 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1nja h TRP 63 Cb 0.14 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1nja h TRP 63 CO 0.01 0.62 0.01 0.74 -2.79 0.00 0.00 178.44 177.02 1nja h PHE 64 N 0.94 0.09 -0.01 2.65 0.04 -0.76 -2.67 116.94 117.22 1nja h PHE 64 Ca 0.25 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1nja h PHE 64 Cb -0.03 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1nja h PHE 64 CO -0.01 0.30 0.05 -0.07 -0.60 0.00 0.00 178.31 177.98 1nja h LEU 65 N -0.15 0.00 -0.66 1.54 3.38 -0.90 0.35 115.31 118.86 1nja h LEU 65 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nja h LEU 65 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nja h LEU 65 CO 0.00 0.00 -0.13 1.41 0.09 0.00 0.00 178.44 179.81 1nja n HIS 66 N -3.19 0.00 -1.43 1.13 8.25 -0.83 -4.84 115.22 114.32 1nja n HIS 66 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1nja n HIS 66 Cb 0.12 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 1nja n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nja n GLY 67 N 1.26 1.22 3.82 -1.41 0.00 0.11 -4.97 105.19 105.22 1nja n GLY 67 Ca 0.16 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1nja n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nja s ASP 68 N -2.84 6.94 0.00 1.61 -1.08 -1.02 -4.30 116.67 115.98 1nja s ASP 68 Ca 0.00 1.59 0.00 0.00 -0.52 0.00 0.00 52.55 53.62 1nja s ASP 68 Cb 0.00 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1nja s ASP 68 CO 0.00 -0.27 0.26 0.35 0.52 0.00 0.00 175.17 176.03 1nja n THR 69 N -0.39 0.06 -3.31 1.71 -2.24 -1.26 -4.16 114.28 104.69 1nja n THR 69 Ca 0.05 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 1nja n THR 69 Cb 0.53 1.51 -0.06 0.00 -2.10 0.00 0.00 70.33 70.21 1nja n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1nja s ASN 70 N -0.06 6.82 0.50 3.42 3.84 -1.26 -1.41 114.94 126.79 1nja s ASN 70 Ca 0.00 0.98 0.25 0.00 0.21 0.00 0.00 52.86 54.30 1nja s ASN 70 Cb 0.00 -2.31 1.33 0.00 -0.55 0.00 0.00 41.25 39.72 1nja s ASN 70 CO 0.00 0.10 2.03 0.40 -2.79 0.00 0.00 177.10 176.84 1nja h ILE 71 N 4.29 0.64 -0.82 -5.21 1.08 -1.30 -3.22 117.51 112.97 1nja h ILE 71 Ca -0.45 -0.64 0.15 0.00 -0.39 0.00 0.00 64.86 63.54 1nja h ILE 71 Cb 1.20 1.40 -0.10 0.00 -3.07 0.00 0.00 36.82 36.25 1nja h ILE 71 CO 0.71 0.15 0.38 -0.09 -0.69 0.00 0.00 178.15 178.60 1nja h ARG 72 N 0.00 0.51 -0.72 2.37 2.43 -1.88 -2.02 114.38 115.06 1nja h ARG 72 Ca -0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1nja h ARG 72 Cb 0.39 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1nja h ARG 72 CO 0.02 0.33 0.44 0.35 -1.51 0.00 0.00 179.97 179.61 1nja h PHE 73 N 0.52 0.83 -0.36 2.20 3.57 -1.97 -2.34 116.94 119.39 1nja h PHE 73 Ca 0.46 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.91 1nja h PHE 73 Cb 0.70 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1nja h PHE 73 CO -0.13 0.45 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.31 1nja h LEU 74 N 0.85 0.65 -0.82 0.59 3.38 -1.59 -3.13 115.31 115.24 1nja h LEU 74 Ca 0.30 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1nja h LEU 74 Cb 0.07 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1nja h LEU 74 CO -0.13 0.82 0.46 -0.07 0.09 0.00 0.00 178.44 179.61 1nja h LEU 75 N 0.46 0.65 0.00 1.67 3.38 -1.02 0.69 115.31 121.13 1nja h LEU 75 Ca 0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nja h LEU 75 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nja h LEU 75 CO 0.02 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1nja n GLN 76 N -4.76 0.67 -0.12 1.13 10.64 -0.92 -1.01 117.38 123.01 1nja n GLN 76 Ca 0.14 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.39 1nja n GLN 76 Cb 0.29 -1.48 0.14 0.00 -0.86 0.00 0.00 30.24 28.33 1nja n GLN 76 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1nja n HIS 77 N -0.98 0.15 -1.45 2.61 8.25 0.23 -4.97 115.22 119.05 1nja n HIS 77 Ca 0.15 -0.91 -0.15 0.00 -0.26 0.00 0.00 57.72 56.55 1nja n HIS 77 Cb 0.07 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1nja n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nja n ARG 78 N -1.14 -1.34 -3.41 -0.41 3.00 -0.18 -4.93 116.66 108.24 1nja n ARG 78 Ca 0.15 0.89 -0.38 0.00 -0.01 0.00 0.00 57.85 58.50 1nja n ARG 78 Cb 0.62 -5.18 -0.08 0.00 0.00 0.00 0.00 32.46 27.82 1nja n ARG 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1nja s ASN 79 N -2.28 6.35 -0.12 0.55 3.84 -0.54 -4.94 114.94 117.80 1nja s ASN 79 Ca 0.00 0.41 0.16 0.00 0.21 0.00 0.00 52.86 53.65 1nja s ASN 79 Cb 0.00 -2.21 0.29 0.00 -0.55 0.00 0.00 41.25 38.77 1nja s ASN 79 CO 0.00 -0.10 1.17 1.41 -2.79 0.00 0.00 177.10 176.79 1nja n HIS 80 N 4.71 0.12 -0.16 0.43 8.25 -1.26 -3.62 115.22 123.68 1nja n HIS 80 Ca -0.09 -0.92 0.19 0.00 -0.26 0.00 0.00 57.72 56.64 1nja n HIS 80 Cb 0.51 -0.16 0.57 0.00 1.12 0.00 0.00 29.99 32.03 1nja n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1nja h ILE 81 N 0.24 0.72 -0.25 1.59 2.04 -1.98 -2.79 117.51 117.07 1nja h ILE 81 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1nja h ILE 81 Cb 0.99 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1nja h ILE 81 CO 0.03 0.05 0.00 0.79 0.00 0.00 0.00 178.15 179.02 1nja n TRP 82 N -4.44 0.34 -0.21 1.37 7.02 -1.26 -4.73 117.44 115.52 1nja n TRP 82 Ca 0.16 -0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.18 1nja n TRP 82 Cb 0.65 -0.03 0.11 0.00 -2.42 0.00 0.00 31.31 29.63 1nja n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1nja h ASP 83 N 1.61 0.24 -0.80 -0.99 5.19 -1.84 -2.95 116.42 116.88 1nja h ASP 83 Ca 0.00 0.08 0.18 0.00 -0.62 0.00 0.00 57.03 56.67 1nja h ASP 83 Cb 0.66 0.06 -0.12 0.00 0.18 0.00 0.00 39.33 40.11 1nja h ASP 83 CO 0.00 0.14 0.24 -0.33 -3.12 0.00 0.00 179.24 176.17 1nja h GLU 84 N 0.42 0.29 -0.68 3.56 5.08 -1.85 0.23 114.58 121.63 1nja h GLU 84 Ca 0.32 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1nja h GLU 84 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nja h GLU 84 CO -0.31 0.19 0.14 -1.49 -1.00 0.00 0.00 179.01 176.55 1nja h TRP 85 N 0.30 1.16 -0.19 4.33 4.06 -1.89 0.19 115.95 123.92 1nja h TRP 85 Ca 0.47 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 61.23 1nja h TRP 85 Cb 0.84 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1nja h TRP 85 CO -0.23 0.96 -0.06 0.00 -3.56 0.00 0.00 178.44 175.55 1nja h ALA 86 N 1.07 0.27 -0.73 1.49 0.00 -1.33 -3.07 119.26 116.94 1nja h ALA 86 Ca 0.21 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nja h ALA 86 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1nja h ALA 86 CO 0.01 0.06 0.43 0.35 0.00 0.00 0.00 179.25 180.10 1nja h PHE 87 N 0.09 0.80 -0.22 0.00 3.57 -0.81 -2.30 116.94 118.07 1nja h PHE 87 Ca 0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1nja h PHE 87 Cb 0.52 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1nja h PHE 87 CO 0.06 0.40 -0.46 1.49 -2.23 0.00 0.00 178.31 177.56 1nja h GLU 88 N 0.80 -0.45 -0.28 1.11 4.81 -0.86 0.25 114.58 119.96 1nja h GLU 88 Ca 0.32 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1nja h GLU 88 Cb 0.16 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1nja h GLU 88 CO -0.17 -0.30 0.16 0.87 -0.73 0.00 0.00 179.01 178.84 1nja h LYS 89 N -0.47 0.33 0.06 1.92 1.79 -1.46 -2.00 116.57 116.74 1nja h LYS 89 Ca 0.08 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1nja h LYS 89 Cb 0.63 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1nja h LYS 89 CO -0.47 0.22 -0.08 2.35 -1.08 0.00 0.00 179.45 180.39 1nja h TRP 90 N 0.34 -0.19 -0.43 -1.35 2.91 -0.85 -3.12 115.95 113.25 1nja h TRP 90 Ca 0.11 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1nja h TRP 90 Cb -0.00 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 1nja h TRP 90 CO -0.08 -0.12 0.17 0.28 -1.03 0.00 0.00 178.44 177.67 1nja h VAL 91 N -0.16 1.20 -1.09 2.65 2.07 -0.46 -3.00 116.25 117.46 1nja h VAL 91 Ca 0.01 -0.62 -0.74 0.00 0.82 0.00 0.00 66.70 66.17 1nja h VAL 91 Cb 0.17 0.80 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 1nja h VAL 91 CO -0.04 0.23 2.47 1.17 0.02 0.00 0.00 177.57 181.42 1nja n LYS 92 N -4.61 4.34 -3.50 1.57 0.00 -0.76 -4.73 118.16 110.46 1nja n LYS 92 Ca 0.00 -3.37 -0.17 0.00 0.00 0.00 0.00 58.31 54.78 1nja n LYS 92 Cb 0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 35.03 32.42 1nja n LYS 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nja s SER 93 N 0.63 -0.63 0.03 3.14 0.15 -1.13 -4.86 113.70 111.02 1nja s SER 93 Ca 0.53 0.57 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 1nja s SER 93 Cb 0.17 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1nja s SER 93 CO -0.07 -0.67 0.44 0.47 1.20 0.00 0.00 173.24 174.61 1nja n ASP 94 N 0.65 -0.18 -0.21 5.45 9.92 -1.26 -1.39 116.55 129.53 1nja n ASP 94 Ca -0.18 0.48 0.06 0.00 -0.53 0.00 0.00 54.79 54.62 1nja n ASP 94 Cb 0.59 -0.13 0.33 0.00 -0.64 0.00 0.00 41.12 41.27 1nja n ASP 94 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1nja h GLU 95 N 0.00 0.79 -6.12 -1.24 4.22 -1.96 -3.42 114.58 106.86 1nja h GLU 95 Ca 0.03 -0.05 -0.61 0.00 0.08 0.00 0.00 59.36 58.81 1nja h GLU 95 Cb 0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1nja h GLU 95 CO -0.16 0.52 1.32 0.98 -2.18 0.00 0.00 179.01 179.49 1nja n TYR 96 N -4.48 2.05 -3.93 0.92 9.36 -0.48 -4.90 117.16 115.70 1nja n TYR 96 Ca 0.11 -0.02 -0.30 0.00 3.32 0.00 0.00 57.90 61.02 1nja n TYR 96 Cb 0.23 -2.67 -0.16 0.00 -0.63 0.00 0.00 39.34 36.11 1nja n TYR 96 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1nja s HIS 97 N 6.32 2.19 -2.81 2.98 3.76 -1.26 -4.92 115.29 121.55 1nja s HIS 97 Ca 0.99 -1.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1nja s HIS 97 Cb -0.59 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1nja s HIS 97 CO 0.45 -0.73 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 1nja n GLY 98 N 4.73 -0.58 3.33 -2.22 0.00 -1.26 -5.16 105.19 104.03 1nja n GLY 98 Ca -0.12 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1nja n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nja n PRO 99 N 0.00 -2.11 -1.40 1.61 -0.02 -1.26 -4.82 135.00 127.00 1nja n PRO 99 Ca 0.00 -0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 60.49 1nja n PRO 99 Cb 0.00 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 1nja n PRO 99 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nja n ASP 100 N -2.99 4.72 -1.53 2.55 2.03 -1.26 -4.75 116.55 115.32 1nja n ASP 100 Ca 0.01 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1nja n ASP 100 Cb 0.59 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1nja n ASP 100 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1nja n MET 101 N 5.56 0.55 -3.68 -0.67 2.81 -1.26 -4.78 117.12 115.65 1nja n MET 101 Ca 0.56 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 56.10 1nja n MET 101 Cb 0.33 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 1nja n MET 101 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1nja s THR 102 N 0.78 5.38 -0.91 2.03 -1.32 -1.26 -3.91 115.64 116.43 1nja s THR 102 Ca 0.00 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1nja s THR 102 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1nja s THR 102 CO 0.00 0.43 0.00 -0.67 -2.21 0.00 0.00 174.62 172.17 1nja n ASP 103 N 3.51 -3.66 -0.01 8.08 2.03 -1.26 -4.90 116.55 120.34 1nja n ASP 103 Ca -0.15 0.10 0.19 0.00 0.52 0.00 0.00 54.79 55.46 1nja n ASP 103 Cb 0.52 -2.51 0.67 0.00 -0.72 0.00 0.00 41.12 39.08 1nja n ASP 103 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nja h PHE 104 N 0.00 0.05 -0.65 -0.67 -5.15 -1.88 -2.56 116.94 106.07 1nja h PHE 104 Ca -0.21 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.65 1nja h PHE 104 Cb 0.92 -0.02 -0.04 0.00 0.22 0.00 0.00 35.95 37.04 1nja h PHE 104 CO 0.26 0.02 0.43 0.78 -2.00 0.00 0.00 178.31 177.80 1nja h GLY 105 N 0.04 0.72 0.03 6.09 0.00 -1.92 -1.89 103.07 106.14 1nja h GLY 105 Ca 0.26 -0.21 -0.42 0.00 0.00 0.00 0.00 47.33 46.96 1nja h GLY 105 CO -0.01 0.13 -2.35 1.42 0.00 0.00 0.00 176.54 175.73 1nja n HIS 106 N -4.48 0.19 0.04 5.60 8.25 -0.97 -4.25 115.22 119.59 1nja n HIS 106 Ca 0.10 0.07 0.17 0.00 -0.26 0.00 0.00 57.72 57.80 1nja n HIS 106 Cb 0.33 -1.02 0.65 0.00 1.12 0.00 0.00 29.99 31.08 1nja n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nja h ARG 107 N -0.73 0.06 -0.12 -0.41 3.08 -1.58 0.27 114.38 114.95 1nja h ARG 107 Ca -0.62 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.39 1nja h ARG 107 Cb 1.66 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.70 1nja h ARG 107 CO -0.30 0.04 -0.07 0.66 -1.07 0.00 0.00 179.97 179.23 1nja h SER 108 N 0.06 0.27 -0.15 7.04 4.64 -1.56 -3.15 113.55 120.71 1nja h SER 108 Ca 0.21 -0.42 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1nja h SER 108 Cb 0.74 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1nja h SER 108 CO -0.01 0.63 -0.18 -0.61 -0.87 0.00 0.00 176.83 175.79 1nja h GLN 109 N -0.09 0.55 -0.13 4.77 -0.00 -1.32 -3.32 115.11 115.57 1nja h GLN 109 Ca 0.03 -0.19 0.03 0.00 -0.00 0.00 0.00 58.65 58.52 1nja h GLN 109 Cb 0.54 -0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.91 1nja h GLN 109 CO 0.02 0.71 -0.47 0.87 0.00 0.00 0.00 178.83 179.96 1nja h LYS 110 N 0.50 -0.48 0.00 1.69 1.57 -0.97 -3.47 116.57 115.41 1nja h LYS 110 Ca 0.08 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nja h LYS 110 Cb 0.59 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1nja h LYS 110 CO 0.04 -0.32 0.00 -0.40 -0.57 0.00 0.00 179.45 178.20 1nja n ASP 111 N -5.02 0.00 -4.14 0.86 5.75 -1.25 -5.12 116.55 107.63 1nja n ASP 111 Ca -0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.37 1nja n ASP 111 Cb 0.32 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.49 1nja n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1nja n PRO 112 N 0.00 -0.34 0.18 0.11 -0.04 -1.26 -4.77 135.00 128.88 1nja n PRO 112 Ca 0.00 -0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1nja n PRO 112 Cb 0.00 -1.31 0.65 0.00 -0.04 0.00 0.00 33.50 32.80 1nja n PRO 112 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1nja h GLU 113 N -1.31 0.00 -1.03 0.54 -0.00 -1.97 -2.22 114.58 108.59 1nja h GLU 113 Ca -0.44 0.00 0.26 0.00 -0.00 0.00 0.00 59.36 59.18 1nja h GLU 113 Cb 1.33 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.99 1nja h GLU 113 CO 0.28 0.00 0.67 0.35 -0.00 0.00 0.00 179.01 180.30 1nja h PHE 114 N 0.00 0.64 -0.85 2.06 3.57 -1.90 -0.23 116.94 120.23 1nja h PHE 114 Ca 0.00 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.71 1nja h PHE 114 Cb 0.07 -0.19 -0.11 0.00 2.79 0.00 0.00 35.95 38.51 1nja h PHE 114 CO 0.00 0.07 0.38 0.00 -2.23 0.00 0.00 178.31 176.53 1nja h ALA 115 N 1.62 1.30 -0.24 2.41 0.00 -1.65 0.48 119.26 123.18 1nja h ALA 115 Ca 0.58 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.57 1nja h ALA 115 Cb 1.48 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1nja h ALA 115 CO -0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 178.67 1nja h ALA 116 N 1.64 0.33 -0.13 0.00 0.00 -1.28 0.14 119.26 119.96 1nja h ALA 116 Ca 0.50 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1nja h ALA 116 Cb 0.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nja h ALA 116 CO -0.46 0.12 0.03 0.28 0.00 0.00 0.00 179.25 179.22 1nja h VAL 117 N 0.21 0.95 0.73 0.00 2.07 -0.92 0.37 116.25 119.65 1nja h VAL 117 Ca 0.06 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1nja h VAL 117 Cb 0.51 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1nja h VAL 117 CO 0.02 0.02 -0.41 0.22 0.02 0.00 0.00 177.57 177.44 1nja h TYR 118 N 0.09 -1.08 -0.50 1.57 3.20 -0.07 0.66 116.97 120.85 1nja h TYR 118 Ca 0.06 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.06 1nja h TYR 118 Cb 0.05 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1nja h TYR 118 CO -0.12 -0.63 0.46 0.45 -1.64 0.00 0.00 178.16 176.69 1nja h HIS 119 N -1.05 0.00 0.02 -3.82 3.86 -0.55 0.20 115.15 113.81 1nja h HIS 119 Ca -0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 1nja h HIS 119 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1nja h HIS 119 CO -0.03 0.00 -0.18 0.93 0.86 0.00 0.00 177.93 179.51 1nja h GLU 120 N 0.00 0.09 -0.97 2.45 4.39 0.26 -1.27 114.58 119.53 1nja h GLU 120 Ca 0.24 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1nja h GLU 120 Cb 1.16 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1nja h GLU 120 CO -0.00 0.98 0.64 0.93 -1.16 0.00 0.00 179.01 180.40 1nja h GLU 121 N -0.74 1.24 -0.26 2.33 4.39 0.76 0.13 114.58 122.43 1nja h GLU 121 Ca -0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1nja h GLU 121 Cb 1.06 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1nja h GLU 121 CO 0.04 0.82 0.11 1.98 -1.16 0.00 0.00 179.01 180.80 1nja h MET 122 N 1.28 0.39 -0.51 2.33 4.05 -0.74 0.51 114.93 122.24 1nja h MET 122 Ca 0.37 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1nja h MET 122 Cb -0.09 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 1nja h MET 122 CO -0.10 0.41 0.34 0.00 0.23 0.00 0.00 176.91 177.80 1nja h ALA 123 N 0.96 1.87 0.41 0.39 0.00 -0.20 0.13 119.26 122.82 1nja h ALA 123 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nja h ALA 123 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nja h ALA 123 CO -0.01 0.04 -0.20 -0.22 0.00 0.00 0.00 179.25 178.87 1nja h LYS 124 N 0.47 -0.53 -0.68 0.00 3.64 -0.06 -2.66 116.57 116.75 1nja h LYS 124 Ca 0.22 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 1nja h LYS 124 Cb 0.27 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 1nja h LYS 124 CO -0.06 -0.23 0.23 0.35 -2.27 0.00 0.00 179.45 177.47 1nja h PHE 125 N -1.00 0.39 -0.93 1.91 3.57 -0.48 -0.54 116.94 119.87 1nja h PHE 125 Ca -0.06 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1nja h PHE 125 Cb 0.54 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1nja h PHE 125 CO 0.02 0.04 0.60 -0.44 -2.23 0.00 0.00 178.31 176.31 1nja h ASP 126 N 0.38 0.94 0.29 0.41 5.19 -0.77 -1.08 116.42 121.77 1nja h ASP 126 Ca 0.36 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.60 1nja h ASP 126 Cb 0.52 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1nja h ASP 126 CO -0.38 0.60 -0.73 -0.78 -3.12 0.00 0.00 179.24 174.83 1nja h ASP 127 N 1.06 0.45 0.71 6.45 3.58 -0.75 -2.70 116.42 125.22 1nja h ASP 127 Ca 0.40 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1nja h ASP 127 Cb 0.19 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.12 1nja h ASP 127 CO -0.15 1.03 -0.34 0.03 -2.88 0.00 0.00 179.24 176.93 1nja h ARG 128 N 0.26 -0.92 -0.93 0.28 2.47 -0.63 -2.62 114.38 112.28 1nja h ARG 128 Ca -0.03 0.06 0.24 0.00 -1.26 0.00 0.00 59.98 58.99 1nja h ARG 128 Cb 1.30 0.21 -0.13 0.00 -1.65 0.00 0.00 29.97 29.70 1nja h ARG 128 CO 0.12 -0.60 0.45 0.28 0.56 0.00 0.00 179.97 180.79 1nja h VAL 129 N -1.03 0.47 0.00 2.04 2.07 -1.25 0.56 116.25 119.11 1nja h VAL 129 Ca -0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1nja h VAL 129 Cb 0.75 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1nja h VAL 129 CO 0.16 0.08 0.00 0.25 0.02 0.00 0.00 177.57 178.08 1nja h LEU 130 N 0.43 0.00 0.00 2.57 5.85 -1.30 -3.38 115.31 119.48 1nja h LEU 130 Ca 0.60 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1nja h LEU 130 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1nja h LEU 130 CO -0.53 0.00 -0.47 1.41 -0.34 0.00 0.00 178.44 178.51 1nja n HIS 131 N -2.44 0.00 -3.12 1.25 8.25 -0.03 -4.98 115.22 114.15 1nja n HIS 131 Ca 0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.05 1nja n HIS 131 Cb 0.34 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 1nja n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nja s ASP 132 N -1.48 6.23 0.42 0.41 -1.08 0.18 -4.94 116.67 116.41 1nja s ASP 132 Ca 0.00 -1.54 0.18 0.00 -0.52 0.00 0.00 52.55 50.67 1nja s ASP 132 Cb 0.00 -2.30 1.08 0.00 -1.46 0.00 0.00 42.92 40.24 1nja s ASP 132 CO 0.00 -1.08 1.85 0.44 0.52 0.00 0.00 175.17 176.90 1nja h ASP 133 N 9.10 0.41 0.33 -0.34 5.19 -1.86 0.14 116.42 129.39 1nja h ASP 133 Ca -0.25 0.04 -0.20 0.00 -0.62 0.00 0.00 57.03 56.00 1nja h ASP 133 Cb 1.08 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 1nja h ASP 133 CO 1.08 0.16 -0.83 0.00 -3.12 0.00 0.00 179.24 176.53 1nja h ALA 134 N 1.61 0.49 -0.00 3.45 0.00 -1.96 -2.67 119.26 120.18 1nja h ALA 134 Ca 0.48 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nja h ALA 134 Cb 1.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nja h ALA 134 CO -0.18 0.80 -0.00 0.35 0.00 0.00 0.00 179.25 180.22 1nja h PHE 135 N 0.24 0.00 -0.34 0.00 3.57 -1.43 -1.65 116.94 117.33 1nja h PHE 135 Ca -0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1nja h PHE 135 Cb 1.44 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.10 1nja h PHE 135 CO 0.05 0.53 -0.21 0.00 -2.23 0.00 0.00 178.31 176.44 1nja h ALA 136 N 0.47 0.01 -0.15 2.41 0.00 -0.87 0.36 119.26 121.49 1nja h ALA 136 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nja h ALA 136 Cb 0.53 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1nja h ALA 136 CO 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 179.25 178.60 1nja h ALA 137 N 1.01 1.66 0.02 0.00 0.00 -1.47 0.18 119.26 120.67 1nja h ALA 137 Ca 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1nja h ALA 137 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nja h ALA 137 CO -0.44 0.25 -0.63 -0.22 0.00 0.00 0.00 179.25 178.21 1nja h LYS 138 N 0.21 0.04 0.00 0.00 3.64 -0.11 -3.41 116.57 116.95 1nja h LYS 138 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nja h LYS 138 Cb 0.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1nja h LYS 138 CO 0.01 1.03 -1.20 0.66 -2.27 0.00 0.00 179.45 177.68 1nja n TYR 139 N -4.45 0.00 0.28 1.91 4.01 0.11 -4.59 117.16 114.43 1nja n TYR 139 Ca -0.20 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1nja n TYR 139 Cb 0.61 -0.18 0.11 0.00 -0.31 0.00 0.00 39.34 39.57 1nja n TYR 139 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1nja h GLY 140 N 2.63 0.00 -5.31 2.72 0.00 -0.67 -3.45 103.07 99.01 1nja h GLY 140 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1nja h GLY 140 CO 0.00 0.00 0.77 -0.35 0.00 0.00 0.00 176.54 176.96 1nja s ASP 141 N -5.23 7.03 0.32 0.19 2.15 -1.17 -0.73 116.67 119.22 1nja s ASP 141 Ca 0.04 1.26 0.23 0.00 0.43 0.00 0.00 52.55 54.50 1nja s ASP 141 Cb 0.10 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.46 1nja s ASP 141 CO 0.73 -0.70 1.42 -0.07 -0.17 0.00 0.00 175.17 176.39 1nja h LEU 142 N 9.56 0.00 0.00 -1.34 3.38 -1.54 -3.49 115.31 121.87 1nja h LEU 142 Ca -0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1nja h LEU 142 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1nja h LEU 142 CO 0.98 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1nja n GLY 143 N 1.16 1.63 3.54 0.83 0.00 -1.26 -4.73 105.19 106.36 1nja n GLY 143 Ca 0.03 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1nja n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nja s LEU 144 N 0.00 3.51 0.17 0.99 1.43 -1.26 -4.58 118.68 118.95 1nja s LEU 144 Ca 0.00 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1nja s LEU 144 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1nja s LEU 144 CO 0.00 -1.62 0.12 0.54 0.23 0.00 0.00 176.35 175.62 1nja s VAL 145 N 5.10 0.05 0.40 -1.59 0.11 -1.26 -5.01 120.40 118.19 1nja s VAL 145 Ca 0.39 -1.91 0.27 0.00 -2.93 0.00 0.00 61.98 57.80 1nja s VAL 145 Cb -0.05 -2.26 0.42 0.00 -1.53 0.00 0.00 36.38 32.96 1nja s VAL 145 CO 0.02 -0.21 1.51 -1.22 -3.33 0.00 0.00 175.10 171.88 1nja n TYR 146 N -0.20 0.86 -0.14 1.54 4.01 -1.26 -1.01 117.16 120.97 1nja n TYR 146 Ca -0.02 0.87 -0.09 0.00 -0.16 0.00 0.00 57.90 58.50 1nja n TYR 146 Cb 0.65 -1.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1nja n TYR 146 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1nja h GLY 147 N 0.00 0.64 1.94 2.72 0.00 -1.78 0.05 103.07 106.63 1nja h GLY 147 Ca 0.84 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.68 1nja h GLY 147 CO -0.57 0.30 -0.78 1.48 0.00 0.00 0.00 176.54 176.97 1nja h SER 148 N 0.53 0.07 0.02 0.19 4.64 -1.26 -1.42 113.55 116.32 1nja h SER 148 Ca 0.14 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1nja h SER 148 Cb 0.12 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1nja h SER 148 CO -0.02 0.82 -0.01 1.56 -0.87 0.00 0.00 176.83 178.32 1nja h GLN 149 N 0.03 -0.02 -0.26 4.77 7.50 -1.09 0.14 115.11 126.19 1nja h GLN 149 Ca -0.02 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.07 1nja h GLN 149 Cb 1.37 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.90 1nja h GLN 149 CO 0.11 0.38 -0.10 -1.49 -1.50 0.00 0.00 178.83 176.22 1nja h TRP 150 N -0.42 0.61 -0.01 2.96 4.06 -1.05 -3.36 115.95 118.73 1nja h TRP 150 Ca -0.00 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.80 1nja h TRP 150 Cb 0.41 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1nja h TRP 150 CO 0.06 0.78 -0.02 0.54 -3.56 0.00 0.00 178.44 176.24 1nja n ARG 151 N -4.48 0.80 -2.80 0.49 1.74 -0.53 -1.70 116.66 110.17 1nja n ARG 151 Ca -0.04 -1.19 -0.10 0.00 -0.77 0.00 0.00 57.85 55.75 1nja n ARG 151 Cb 0.34 -1.23 0.07 0.00 -1.02 0.00 0.00 32.46 30.62 1nja n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nja n ALA 152 N 0.63 0.36 -1.89 7.54 0.00 0.47 -4.02 120.51 123.59 1nja n ALA 152 Ca 0.07 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.22 1nja n ALA 152 Cb 0.30 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1nja n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nja s TRP 153 N -0.43 3.03 -0.37 0.00 -0.11 0.19 -4.66 118.94 116.59 1nja s TRP 153 Ca 0.26 0.97 -0.26 0.00 1.22 0.00 0.00 56.10 58.28 1nja s TRP 153 Cb 0.33 -3.83 0.02 0.00 -1.50 0.00 0.00 33.47 28.48 1nja s TRP 153 CO -0.06 -2.77 0.94 -1.01 -4.62 0.00 0.00 176.95 169.42 1nja s HIS 154 N 0.19 3.07 0.80 5.86 3.76 -1.26 -0.54 115.29 127.17 1nja s HIS 154 Ca 0.61 0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 56.19 1nja s HIS 154 Cb -0.42 -3.68 0.07 0.00 1.11 0.00 0.00 32.58 29.66 1nja s HIS 154 CO 0.41 -0.84 1.10 0.99 -0.85 0.00 0.00 174.74 175.55 1nja s THR 155 N 3.51 3.08 0.09 1.30 2.01 0.24 -4.89 115.64 120.99 1nja s THR 155 Ca 0.39 0.35 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1nja s THR 155 Cb -0.12 -2.75 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1nja s THR 155 CO 0.19 -0.45 1.57 0.77 -0.69 0.00 0.00 174.62 176.01 1nja h SER 156 N -1.25 0.42 0.00 3.53 4.64 -1.96 -2.98 113.55 115.95 1nja h SER 156 Ca -0.43 -0.26 -0.15 0.00 -0.47 0.00 0.00 61.79 60.48 1nja h SER 156 Cb 1.24 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.16 1nja h SER 156 CO 0.49 0.57 -0.26 2.29 -0.87 0.00 0.00 176.83 179.05 1nja n LYS 157 N -4.67 1.69 -4.13 4.77 2.85 -1.26 -4.76 118.16 112.64 1nja n LYS 157 Ca -0.03 -0.80 -0.39 0.00 -1.05 0.00 0.00 58.31 56.05 1nja n LYS 157 Cb 0.20 -1.85 -0.02 0.00 -0.65 0.00 0.00 35.03 32.71 1nja n LYS 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nja n GLY 158 N 2.45 -0.54 1.11 2.58 0.00 -1.13 -4.98 105.19 104.68 1nja n GLY 158 Ca 0.34 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 1nja n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nja n ASP 159 N -2.51 0.50 -3.88 1.61 2.03 -1.24 -4.93 116.55 108.13 1nja n ASP 159 Ca -0.20 -1.74 -0.24 0.00 0.52 0.00 0.00 54.79 53.14 1nja n ASP 159 Cb 0.62 0.44 -0.17 0.00 -0.72 0.00 0.00 41.12 41.29 1nja n ASP 159 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nja s THR 160 N -2.23 0.73 -0.18 5.18 2.01 -1.26 -0.59 115.64 119.31 1nja s THR 160 Ca 0.10 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1nja s THR 160 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1nja s THR 160 CO 0.07 0.30 0.02 -0.63 -0.69 0.00 0.00 174.62 173.69 1nja s ILE 161 N 1.43 4.38 -1.14 1.82 -1.09 0.30 -4.86 121.20 122.05 1nja s ILE 161 Ca -0.02 -0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.13 1nja s ILE 161 Cb -0.13 -2.96 0.26 0.00 -1.58 0.00 0.00 42.46 38.04 1nja s ILE 161 CO -0.04 0.46 1.33 -0.67 -1.23 0.00 0.00 174.94 174.79 1nja n ASP 162 N 3.65 5.64 -0.14 3.58 2.03 -1.26 -0.63 116.55 129.42 1nja n ASP 162 Ca -0.17 -3.12 -0.08 0.00 0.52 0.00 0.00 54.79 51.94 1nja n ASP 162 Cb 0.52 -1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.46 1nja n ASP 162 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1nja h GLN 163 N 6.39 -0.17 -0.96 -0.67 4.20 -1.64 0.41 115.11 122.66 1nja h GLN 163 Ca 0.23 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.05 1nja h GLN 163 Cb 0.79 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.54 1nja h GLN 163 CO 1.18 -0.11 0.62 1.25 -0.67 0.00 0.00 178.83 181.10 1nja h LEU 164 N -0.18 0.92 -0.01 1.46 7.12 -1.68 0.15 115.31 123.10 1nja h LEU 164 Ca 0.06 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 1nja h LEU 164 Cb 0.34 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1nja h LEU 164 CO -0.44 0.54 0.00 1.23 -0.13 0.00 0.00 178.44 179.64 1nja h GLY 165 N 1.01 0.01 1.00 3.75 0.00 -1.54 -1.48 103.07 105.82 1nja h GLY 165 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1nja h GLY 165 CO -0.20 0.00 0.34 -0.55 0.00 0.00 0.00 176.54 176.13 1nja h ASP 166 N -0.11 0.88 -0.60 0.19 3.32 -0.07 -2.67 116.42 117.36 1nja h ASP 166 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1nja h ASP 166 Cb 0.11 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1nja h ASP 166 CO -0.00 0.75 0.34 0.58 -1.72 0.00 0.00 179.24 179.20 1nja h VAL 167 N 0.94 1.19 -0.64 -1.35 2.07 -0.46 -2.05 116.25 115.94 1nja h VAL 167 Ca 0.23 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1nja h VAL 167 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1nja h VAL 167 CO -0.03 0.21 0.12 0.40 0.02 0.00 0.00 177.57 178.28 1nja h ILE 168 N 0.86 1.26 -0.78 4.57 2.04 -0.93 -1.50 117.51 123.04 1nja h ILE 168 Ca 0.22 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1nja h ILE 168 Cb 0.02 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1nja h ILE 168 CO -0.04 0.37 0.36 -0.08 0.00 0.00 0.00 178.15 178.76 1nja h GLU 169 N 0.96 1.13 -0.29 2.37 4.22 -1.27 -2.31 114.58 119.39 1nja h GLU 169 Ca 0.20 -0.17 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1nja h GLU 169 Cb 0.41 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1nja h GLU 169 CO 0.01 0.89 0.13 1.96 -2.18 0.00 0.00 179.01 179.81 1nja h GLN 170 N 1.10 0.27 -0.04 1.92 4.20 -0.92 -0.46 115.11 121.18 1nja h GLN 170 Ca 0.27 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.97 1nja h GLN 170 Cb 0.14 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1nja h GLN 170 CO -0.03 0.18 0.03 0.82 -0.67 0.00 0.00 178.83 179.16 1nja h ILE 171 N 0.27 0.79 0.02 2.54 2.04 -0.95 0.83 117.51 123.05 1nja h ILE 171 Ca 0.12 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.75 1nja h ILE 171 Cb 0.06 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1nja h ILE 171 CO -0.10 0.00 -0.98 0.11 0.00 0.00 0.00 178.15 177.18 1nja h LYS 172 N 0.00 0.36 0.00 2.37 1.57 -0.58 -3.26 116.57 117.04 1nja h LYS 172 Ca 0.02 -0.42 -0.29 0.00 -1.87 0.00 0.00 60.65 58.09 1nja h LYS 172 Cb 0.09 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1nja h LYS 172 CO -0.00 1.10 -2.08 0.25 -0.57 0.00 0.00 179.45 178.15 1nja n THR 173 N -3.70 1.08 -3.24 -0.16 -2.24 -0.58 -4.77 114.28 100.66 1nja n THR 173 Ca -0.07 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.87 1nja n THR 173 Cb 0.86 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 1nja n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1nja n HIS 174 N -2.71 0.82 0.28 4.78 8.25 0.28 -4.97 115.22 121.95 1nja n HIS 174 Ca -0.28 -3.74 0.18 0.00 -0.26 0.00 0.00 57.72 53.62 1nja n HIS 174 Cb 0.97 -0.41 0.96 0.00 1.12 0.00 0.00 29.99 32.62 1nja n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1nja h PRO 175 N 3.96 0.00 -0.65 -0.41 0.13 -1.60 -2.11 132.00 131.31 1nja h PRO 175 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nja h PRO 175 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nja h PRO 175 CO 0.57 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.00 1nja n TYR 176 N -3.50 1.34 -2.41 1.56 4.01 -1.26 -3.56 117.16 113.34 1nja n TYR 176 Ca -0.01 -0.50 -0.41 0.00 -0.16 0.00 0.00 57.90 56.82 1nja n TYR 176 Cb 0.20 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 1nja n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nja s SER 177 N -0.70 7.14 -0.10 7.72 0.15 -0.80 -4.92 113.70 122.19 1nja s SER 177 Ca 0.40 2.24 0.15 0.00 0.70 0.00 0.00 55.95 59.44 1nja s SER 177 Cb 0.28 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.58 1nja s SER 177 CO 0.16 -0.31 1.49 0.54 1.20 0.00 0.00 173.24 176.32 1nja n ARG 178 N 2.11 3.34 -0.18 5.44 1.74 -1.26 -4.09 116.66 123.77 1nja n ARG 178 Ca 0.03 -2.39 0.07 0.00 -0.77 0.00 0.00 57.85 54.79 1nja n ARG 178 Cb 0.45 -1.81 0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1nja n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nja n ARG 179 N 0.88 2.38 -1.57 5.56 1.74 -1.26 -4.89 116.66 119.50 1nja n ARG 179 Ca 0.22 -2.34 -0.42 0.00 -0.77 0.00 0.00 57.85 54.54 1nja n ARG 179 Cb 0.78 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 1nja n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nja n LEU 180 N -0.64 6.24 -4.56 0.55 4.32 -1.26 -4.91 117.00 116.74 1nja n LEU 180 Ca 0.13 -3.84 -0.31 0.00 -0.02 0.00 0.00 56.01 51.98 1nja n LEU 180 Cb 0.59 -1.52 -0.11 0.00 -1.62 0.00 0.00 43.42 40.77 1nja n LEU 180 CO 0.06 0.78 -0.42 -0.63 -1.22 0.00 0.00 177.39 175.96 1nja s ILE 181 N 3.61 3.36 -0.15 -0.08 1.01 -1.26 -0.61 121.20 127.07 1nja s ILE 181 Ca 0.50 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1nja s ILE 181 Cb 0.14 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1nja s ILE 181 CO -0.04 0.24 -0.02 -0.69 0.00 0.00 0.00 174.94 174.43 1nja s VAL 182 N -1.09 0.78 -0.03 2.92 1.01 -0.65 -4.94 120.40 118.39 1nja s VAL 182 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1nja s VAL 182 Cb -0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1nja s VAL 182 CO 0.10 0.09 0.00 -0.55 0.00 0.00 0.00 175.10 174.75 1nja s SER 183 N 1.78 5.17 0.00 3.32 0.15 -1.26 -1.56 113.70 121.30 1nja s SER 183 Ca 0.02 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.79 1nja s SER 183 Cb -0.15 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1nja s SER 183 CO -0.07 0.31 0.52 0.00 1.20 0.00 0.00 173.24 175.20 1nja n ALA 184 N 1.63 2.76 -2.54 5.45 0.00 -0.41 -4.74 120.51 122.65 1nja n ALA 184 Ca -0.16 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1nja n ALA 184 Cb 0.53 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1nja n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nja s TRP 185 N -1.26 3.12 -0.31 0.00 -0.11 -1.20 -4.80 118.94 114.37 1nja s TRP 185 Ca 0.06 0.13 -0.04 0.00 1.22 0.00 0.00 56.10 57.47 1nja s TRP 185 Cb 0.06 -3.19 0.04 0.00 -1.50 0.00 0.00 33.47 28.89 1nja s TRP 185 CO 0.22 -0.72 0.04 1.21 -4.62 0.00 0.00 176.95 173.08 1nja s ASN 186 N 1.88 5.05 0.53 5.86 3.84 -1.26 -4.99 114.94 125.85 1nja s ASN 186 Ca 0.22 -1.20 0.34 0.00 0.21 0.00 0.00 52.86 52.43 1nja s ASN 186 Cb -0.14 -1.77 1.49 0.00 -0.55 0.00 0.00 41.25 40.27 1nja s ASN 186 CO 0.16 -0.28 1.82 -0.65 -2.79 0.00 0.00 177.10 175.36 1nja h PRO 187 N 8.09 0.04 0.00 0.43 0.11 -2.01 -1.43 132.00 137.23 1nja h PRO 187 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1nja h PRO 187 Cb 1.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nja h PRO 187 CO 0.56 0.03 -0.17 1.05 -0.21 0.00 0.00 178.00 179.25 1nja h GLU 188 N 0.04 0.00 0.00 1.05 4.11 -2.03 -3.36 114.58 114.39 1nja h GLU 188 Ca 0.53 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.59 1nja h GLU 188 Cb 2.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.24 1nja h GLU 188 CO -0.03 0.00 -2.40 -0.25 0.07 0.00 0.00 179.01 176.39 1nja n ASP 189 N -2.45 0.88 -0.02 3.06 8.00 -0.56 -4.55 116.55 120.90 1nja n ASP 189 Ca 0.04 -0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1nja n ASP 189 Cb 0.46 0.35 0.54 0.00 -0.02 0.00 0.00 41.12 42.45 1nja n ASP 189 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1nja h VAL 190 N 0.00 0.91 -1.00 2.53 -1.51 -1.64 -2.63 116.25 112.91 1nja h VAL 190 Ca -0.55 -0.11 0.10 0.00 -1.23 0.00 0.00 66.70 64.91 1nja h VAL 190 Cb 2.10 0.56 -0.08 0.00 -2.13 0.00 0.00 31.29 31.74 1nja h VAL 190 CO -0.02 0.06 0.64 1.55 -1.23 0.00 0.00 177.57 178.57 1nja h PRO 191 N 0.32 1.02 -1.15 5.19 0.13 -1.80 -2.87 132.00 132.85 1nja h PRO 191 Ca 0.23 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.76 1nja h PRO 191 Cb 0.49 -0.23 -0.42 0.00 0.13 0.00 0.00 31.00 30.96 1nja h PRO 191 CO -0.05 0.68 -0.82 0.25 -0.23 0.00 0.00 178.00 177.83 1nja n THR 192 N -4.57 2.26 -4.10 1.56 -2.24 -1.05 -5.04 114.28 101.10 1nja n THR 192 Ca 0.17 -4.43 -0.33 0.00 -2.27 0.00 0.00 64.05 57.19 1nja n THR 192 Cb 0.29 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 1nja n THR 192 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1nja s MET 193 N -3.54 3.10 0.06 -0.78 0.00 -1.02 -5.03 119.30 112.08 1nja s MET 193 Ca 0.46 -0.45 -0.26 0.00 0.00 0.00 0.00 55.69 55.45 1nja s MET 193 Cb 0.40 -2.89 -0.13 0.00 0.00 0.00 0.00 34.83 32.22 1nja s MET 193 CO -0.08 0.66 1.40 0.00 0.00 0.00 0.00 175.02 177.00 1nja h ALA 194 N 4.25 -1.09 -2.82 4.11 0.00 -1.90 -3.40 119.26 118.41 1nja h ALA 194 Ca -0.50 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 53.71 1nja h ALA 194 Cb 1.19 0.56 -0.40 0.00 0.00 0.00 0.00 17.79 19.13 1nja h ALA 194 CO 0.61 -1.09 -0.79 -1.17 0.00 0.00 0.00 179.25 176.82 1nja s LEU 195 N -8.45 0.95 0.45 0.00 2.96 -1.26 -5.12 118.68 108.21 1nja s LEU 195 Ca -0.13 -1.54 -0.23 0.00 -0.22 0.00 0.00 54.13 52.01 1nja s LEU 195 Cb 0.03 -0.46 -0.09 0.00 0.50 0.00 0.00 46.19 46.16 1nja s LEU 195 CO 0.43 -0.41 1.01 -2.65 -1.32 0.00 0.00 176.35 173.41 1nja n PRO 196 N 4.93 1.30 -1.63 0.98 -0.02 -1.26 -4.81 135.00 134.49 1nja n PRO 196 Ca -0.02 0.47 -0.52 0.00 -2.02 0.00 0.00 63.50 61.41 1nja n PRO 196 Cb 0.41 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1nja n PRO 196 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nja n PRO 197 N -0.05 1.29 0.12 0.52 -0.02 -1.26 -4.90 135.00 130.70 1nja n PRO 197 Ca 0.10 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 1nja n PRO 197 Cb 0.41 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 1nja n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nja n HIS 199 N -3.61 3.96 -0.23 0.00 8.25 -1.26 -1.71 115.22 120.62 1nja n HIS 199 Ca -0.14 -3.09 0.03 0.00 -0.26 0.00 0.00 57.72 54.27 1nja n HIS 199 Cb 1.06 -2.03 0.15 0.00 1.12 0.00 0.00 29.99 30.29 1nja n HIS 199 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1nja h THR 200 N 4.16 0.64 -1.55 1.59 2.02 -1.54 -3.44 112.91 114.80 1nja h THR 200 Ca 0.35 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.50 1nja h THR 200 Cb 0.75 0.26 -0.23 0.00 -1.74 0.00 0.00 68.15 67.19 1nja h THR 200 CO 1.42 0.06 0.58 -0.22 0.37 0.00 0.00 175.52 177.73 1nja s LEU 201 N -10.49 -0.34 0.10 2.58 0.20 -1.17 -1.29 118.68 108.27 1nja s LEU 201 Ca -0.13 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.06 1nja s LEU 201 Cb 0.19 1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 47.71 1nja s LEU 201 CO 0.75 -0.33 -0.06 -0.72 -0.29 0.00 0.00 176.35 175.70 1nja s TYR 202 N -1.21 0.89 -0.01 5.38 1.13 -0.60 -0.17 117.35 122.76 1nja s TYR 202 Ca -0.00 -0.93 0.03 0.00 -1.41 0.00 0.00 57.07 54.75 1nja s TYR 202 Cb -0.01 -0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 40.33 1nja s TYR 202 CO 0.00 -0.16 -0.08 -1.14 -2.51 0.00 0.00 175.55 171.66 1nja s GLN 203 N -3.84 0.67 0.26 -3.49 0.74 0.38 -1.64 119.66 112.74 1nja s GLN 203 Ca 0.12 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1nja s GLN 203 Cb 0.05 -0.64 -0.03 0.00 1.10 0.00 0.00 33.01 33.49 1nja s GLN 203 CO -0.05 0.18 0.41 -0.06 -0.55 0.00 0.00 175.29 175.22 1nja s PHE 204 N -0.20 3.47 -0.21 1.67 0.08 0.22 -1.12 117.98 121.89 1nja s PHE 204 Ca 0.03 0.10 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 1nja s PHE 204 Cb -0.03 -1.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1nja s PHE 204 CO -0.00 0.36 0.53 -0.47 -0.10 0.00 0.00 175.22 175.54 1nja s TYR 205 N -2.05 -0.68 -0.02 0.36 5.04 -0.37 -4.59 117.35 115.03 1nja s TYR 205 Ca 0.36 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 1nja s TYR 205 Cb -0.09 0.30 -0.00 0.00 0.35 0.00 0.00 41.96 42.52 1nja s TYR 205 CO 0.31 -0.35 -0.09 0.08 -1.34 0.00 0.00 175.55 174.16 1nja s VAL 206 N 0.83 0.78 -0.24 3.14 1.01 -1.23 -1.07 120.40 123.62 1nja s VAL 206 Ca -0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1nja s VAL 206 Cb -0.05 -0.68 0.17 0.00 0.00 0.00 0.00 36.38 35.81 1nja s VAL 206 CO -0.07 0.24 1.24 0.21 0.00 0.00 0.00 175.10 176.72 1nja s ASN 207 N 0.06 -0.14 -1.16 3.32 2.47 -1.15 -4.55 114.94 113.79 1nja s ASN 207 Ca -0.01 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1nja s ASN 207 Cb -0.07 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.85 1nja s ASN 207 CO 0.00 -0.14 0.00 0.47 -3.72 0.00 0.00 177.10 173.71 1nja n ASP 208 N 0.47 -5.42 0.00 -4.21 8.00 -1.26 -1.23 116.55 112.90 1nja n ASP 208 Ca -0.03 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1nja n ASP 208 Cb 0.58 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 1nja n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nja n GLY 209 N 0.22 0.49 3.54 0.44 0.00 -1.26 -4.99 105.19 103.62 1nja n GLY 209 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1nja n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nja s LYS 210 N -0.27 2.44 -0.16 1.61 3.01 -0.37 -0.90 119.74 125.10 1nja s LYS 210 Ca 0.00 -0.77 -0.08 0.00 -1.01 0.00 0.00 55.97 54.11 1nja s LYS 210 Cb 0.00 -2.41 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 1nja s LYS 210 CO 0.00 0.60 0.10 -1.17 0.51 0.00 0.00 175.35 175.39 1nja s LEU 211 N -1.25 4.09 0.13 3.17 2.96 0.32 -2.94 118.68 125.15 1nja s LEU 211 Ca 0.15 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 1nja s LEU 211 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1nja s LEU 211 CO 0.05 0.26 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.73 1nja s SER 212 N -0.15 2.41 -0.01 3.68 0.01 -0.23 -0.08 113.70 119.34 1nja s SER 212 Ca 0.09 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1nja s SER 212 Cb -0.12 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 1nja s SER 212 CO 0.01 -0.03 -0.05 -0.22 0.41 0.00 0.00 173.24 173.35 1nja s LEU 213 N -2.29 1.97 -0.08 2.44 0.20 -1.15 -1.23 118.68 118.53 1nja s LEU 213 Ca 0.10 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.85 1nja s LEU 213 Cb -0.07 -0.29 0.01 0.00 -0.43 0.00 0.00 46.19 45.40 1nja s LEU 213 CO 0.05 0.06 -0.18 -1.58 -0.29 0.00 0.00 176.35 174.40 1nja s GLN 214 N -0.07 2.37 -0.10 1.98 0.74 -0.27 -1.10 119.66 123.21 1nja s GLN 214 Ca 0.01 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.77 1nja s GLN 214 Cb -0.03 -1.86 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 1nja s GLN 214 CO -0.00 0.12 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.60 1nja s LEU 215 N 0.45 3.03 -0.31 3.68 0.20 -0.25 -0.47 118.68 125.01 1nja s LEU 215 Ca -0.16 -0.13 -0.08 0.00 0.69 0.00 0.00 54.13 54.45 1nja s LEU 215 Cb -0.17 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1nja s LEU 215 CO 0.06 0.28 0.11 -0.47 -0.29 0.00 0.00 176.35 176.04 1nja s TYR 216 N -0.30 3.17 -0.34 5.38 6.14 0.76 -0.87 117.35 131.30 1nja s TYR 216 Ca 0.04 -0.92 -0.05 0.00 0.64 0.00 0.00 57.07 56.77 1nja s TYR 216 Cb -0.13 -2.29 0.05 0.00 0.42 0.00 0.00 41.96 40.01 1nja s TYR 216 CO 0.02 -0.57 0.10 -1.14 0.64 0.00 0.00 175.55 174.61 1nja s GLN 217 N 1.52 2.52 0.45 4.97 0.74 -0.08 -2.08 119.66 127.70 1nja s GLN 217 Ca 0.03 -1.28 0.14 0.00 0.05 0.00 0.00 55.36 54.30 1nja s GLN 217 Cb -0.17 -3.43 1.05 0.00 1.10 0.00 0.00 33.01 31.56 1nja s GLN 217 CO 0.04 -0.71 2.02 0.07 -0.55 0.00 0.00 175.29 176.16 1nja h ARG 218 N 8.17 0.34 -3.09 1.67 0.11 -1.63 0.19 114.38 120.13 1nja h ARG 218 Ca -0.22 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.68 1nja h ARG 218 Cb 1.07 -0.08 -0.26 0.00 1.11 0.00 0.00 29.97 31.82 1nja h ARG 218 CO 0.61 0.23 -0.42 0.45 0.10 0.00 0.00 179.97 180.93 1nja s SER 219 N -6.44 -0.27 -0.08 0.08 0.15 -1.26 -0.33 113.70 105.54 1nja s SER 219 Ca -0.07 0.53 -0.06 0.00 0.70 0.00 0.00 55.95 57.04 1nja s SER 219 Cb 0.19 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1nja s SER 219 CO 0.73 -0.10 0.20 0.00 1.20 0.00 0.00 173.24 175.27 1nja s ALA 220 N 0.30 -0.47 -0.74 5.45 0.00 -0.57 -4.84 121.76 120.88 1nja s ALA 220 Ca -0.01 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1nja s ALA 220 Cb -0.03 -0.39 0.13 0.00 0.00 0.00 0.00 23.12 22.83 1nja s ALA 220 CO -0.01 -0.12 0.88 0.34 0.00 0.00 0.00 175.76 176.85 1nja s ASP 221 N 0.41 6.41 0.19 0.00 -1.08 -1.26 -1.09 116.67 120.25 1nja s ASP 221 Ca -0.03 -1.77 -0.22 0.00 -0.52 0.00 0.00 52.55 50.02 1nja s ASP 221 Cb -0.04 -2.33 0.12 0.00 -1.46 0.00 0.00 42.92 39.21 1nja s ASP 221 CO -0.02 -1.05 1.57 0.40 0.52 0.00 0.00 175.17 176.59 1nja h ILE 222 N 5.72 0.10 0.40 4.11 5.03 -1.52 0.23 117.51 131.58 1nja h ILE 222 Ca -0.09 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.63 1nja h ILE 222 Cb 1.06 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1nja h ILE 222 CO 1.06 0.00 -0.19 0.15 -0.68 0.00 0.00 178.15 178.48 1nja h PHE 223 N -0.14 -0.50 0.17 1.37 3.57 -1.92 -3.26 116.94 116.23 1nja h PHE 223 Ca 0.24 -0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.42 1nja h PHE 223 Cb 0.56 0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.48 1nja h PHE 223 CO -0.73 -0.31 -1.48 -0.07 -2.23 0.00 0.00 178.31 173.49 1nja h LEU 224 N -0.60 0.56 0.00 0.59 4.07 -1.95 -3.41 115.31 114.56 1nja h LEU 224 Ca -0.06 -0.68 -0.12 0.00 0.08 0.00 0.00 57.88 57.11 1nja h LEU 224 Cb 0.42 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1nja h LEU 224 CO 0.09 1.55 -0.70 1.23 -1.08 0.00 0.00 178.44 179.53 1nja h GLY 225 N 1.10 0.00 0.04 0.83 0.00 -0.81 -3.41 103.07 100.82 1nja h GLY 225 Ca -0.23 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.22 1nja h GLY 225 CO 0.21 0.00 0.04 -2.08 0.00 0.00 0.00 176.54 174.71 1nja h VAL 226 N -1.00 0.55 -0.55 4.60 2.07 -1.17 -2.55 116.25 118.21 1nja h VAL 226 Ca -0.18 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1nja h VAL 226 Cb 1.01 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 1nja h VAL 226 CO -0.11 0.03 -0.13 -0.65 0.02 0.00 0.00 177.57 176.73 1nja h PRO 227 N 0.16 0.00 0.12 1.57 0.11 -1.80 -0.10 132.00 132.05 1nja h PRO 227 Ca 0.31 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1nja h PRO 227 Cb 0.49 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1nja h PRO 227 CO -0.48 0.00 -0.06 0.74 -0.21 0.00 0.00 178.00 178.00 1nja h PHE 228 N 0.00 -0.14 -0.62 0.65 -1.00 -1.74 -3.15 116.94 110.93 1nja h PHE 228 Ca 0.26 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.16 1nja h PHE 228 Cb 0.40 0.05 -0.09 0.00 3.61 0.00 0.00 35.95 39.92 1nja h PHE 228 CO -0.46 0.06 0.14 0.00 -1.61 0.00 0.00 178.31 176.44 1nja h ILE 230 N 0.27 1.08 -0.06 0.00 2.04 -1.07 -2.10 117.51 117.67 1nja h ILE 230 Ca 0.33 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nja h ILE 230 Cb 0.50 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nja h ILE 230 CO -0.42 0.18 -0.09 0.00 0.00 0.00 0.00 178.15 177.82 1nja h ALA 231 N 1.37 0.09 -0.52 1.87 0.00 -1.23 -1.94 119.26 118.91 1nja h ALA 231 Ca 0.35 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1nja h ALA 231 Cb 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1nja h ALA 231 CO -0.15 -0.06 0.14 1.03 0.00 0.00 0.00 179.25 180.21 1nja h SER 232 N -0.31 0.08 1.89 0.00 0.87 -0.84 0.56 113.55 115.81 1nja h SER 232 Ca 0.01 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1nja h SER 232 Cb 0.65 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1nja h SER 232 CO 0.02 0.06 0.00 1.88 -0.53 0.00 0.00 176.83 178.27 1nja h TYR 233 N 0.29 0.00 0.02 2.24 0.05 -1.45 -2.43 116.97 115.68 1nja h TYR 233 Ca 0.26 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.82 1nja h TYR 233 Cb 0.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1nja h TYR 233 CO -0.20 0.00 -0.95 0.00 -1.05 0.00 0.00 178.16 175.95 1nja h ALA 234 N 2.01 0.40 -0.10 3.88 0.00 -0.63 -2.25 119.26 122.57 1nja h ALA 234 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1nja h ALA 234 Cb 0.95 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nja h ALA 234 CO 0.00 0.90 0.02 1.25 0.00 0.00 0.00 179.25 181.41 1nja h LEU 235 N 0.14 0.16 -0.30 0.00 5.85 -0.76 -2.53 115.31 117.87 1nja h LEU 235 Ca -0.07 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1nja h LEU 235 Cb 1.60 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 1nja h LEU 235 CO 0.15 0.37 -0.09 0.25 -0.34 0.00 0.00 178.44 178.78 1nja h LEU 236 N -0.06 -0.33 -1.72 2.25 6.46 -1.44 0.40 115.31 120.88 1nja h LEU 236 Ca 0.03 0.10 0.12 0.00 -0.12 0.00 0.00 57.88 58.01 1nja h LEU 236 Cb 0.28 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1nja h LEU 236 CO 0.00 -0.12 0.42 0.74 -0.62 0.00 0.00 178.44 178.86 1nja h THR 237 N -0.02 0.83 0.01 1.05 2.02 -1.27 -0.85 112.91 114.67 1nja h THR 237 Ca 0.15 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1nja h THR 237 Cb 0.25 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1nja h THR 237 CO -0.33 0.06 -0.32 0.45 0.37 0.00 0.00 175.52 175.75 1nja h HIS 238 N 0.30 0.30 0.34 3.16 3.86 -0.56 -3.03 115.15 119.51 1nja h HIS 238 Ca 0.29 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1nja h HIS 238 Cb 0.73 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1nja h HIS 238 CO -0.00 1.00 -0.38 -0.07 0.86 0.00 0.00 177.93 179.34 1nja h LEU 239 N -0.49 -1.04 -0.65 2.43 4.07 -0.31 -0.69 115.31 118.63 1nja h LEU 239 Ca -0.04 0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.09 1nja h LEU 239 Cb 1.10 0.36 -0.07 0.00 1.08 0.00 0.00 40.66 43.13 1nja h LEU 239 CO 0.06 -0.52 0.31 0.58 -1.08 0.00 0.00 178.44 177.79 1nja h VAL 240 N -0.75 0.86 0.00 1.22 2.07 -1.33 0.11 116.25 118.43 1nja h VAL 240 Ca -0.02 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1nja h VAL 240 Cb 0.69 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nja h VAL 240 CO -0.09 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 1nja h ALA 241 N 1.39 1.34 -0.04 1.67 0.00 -1.35 0.66 119.26 122.93 1nja h ALA 241 Ca 0.31 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1nja h ALA 241 Cb 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nja h ALA 241 CO -0.25 0.14 -0.93 1.25 0.00 0.00 0.00 179.25 179.46 1nja h HIS 242 N 0.00 0.87 0.28 0.00 6.17 0.73 0.23 115.15 123.43 1nja h HIS 242 Ca -0.00 -0.44 -0.01 0.00 0.71 0.00 0.00 60.37 60.62 1nja h HIS 242 Cb 0.30 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.12 1nja h HIS 242 CO 0.00 1.27 -0.13 1.49 0.71 0.00 0.00 177.93 181.26 1nja h GLU 243 N 0.36 -0.36 0.00 5.26 4.57 -0.10 -3.21 114.58 121.10 1nja h GLU 243 Ca -0.09 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1nja h GLU 243 Cb 1.56 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1nja h GLU 243 CO 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 179.01 177.98 1nja n GLY 245 N 0.35 0.10 3.73 0.00 0.00 -0.25 -4.98 105.19 104.15 1nja n GLY 245 Ca 0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1nja n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nja s LEU 246 N -4.15 3.23 0.32 0.99 1.02 0.64 -5.03 118.68 115.70 1nja s LEU 246 Ca 0.25 -0.82 -0.06 0.00 0.02 0.00 0.00 54.13 53.52 1nja s LEU 246 Cb -0.11 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 1nja s LEU 246 CO 0.31 -0.34 0.60 -1.61 0.02 0.00 0.00 176.35 175.34 1nja s GLU 247 N -3.86 3.66 0.11 1.70 0.41 -0.08 -4.53 118.70 116.12 1nja s GLU 247 Ca 0.38 0.11 -0.26 0.00 -0.41 0.00 0.00 54.97 54.79 1nja s GLU 247 Cb -0.02 -2.59 -0.07 0.00 -1.78 0.00 0.00 34.13 29.68 1nja s GLU 247 CO 0.23 0.16 0.80 0.54 -0.49 0.00 0.00 175.26 176.50 1nja s VAL 248 N -2.15 4.51 0.00 2.63 0.11 -1.26 -0.52 120.40 123.72 1nja s VAL 248 Ca 0.45 1.74 0.00 0.00 -2.93 0.00 0.00 61.98 61.24 1nja s VAL 248 Cb -0.11 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 1nja s VAL 248 CO 0.30 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1nja n GLY 249 N 1.98 0.62 3.80 6.54 0.00 0.89 -4.46 105.19 114.56 1nja n GLY 249 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1nja n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nja s GLU 250 N 2.99 2.28 -0.10 1.61 2.02 -1.25 -1.16 118.70 125.09 1nja s GLU 250 Ca 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 54.97 53.12 1nja s GLU 250 Cb 0.00 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.22 1nja s GLU 250 CO 0.00 -0.27 -0.14 0.12 0.02 0.00 0.00 175.26 174.99 1nja s PHE 251 N -2.65 1.85 -0.17 1.61 5.36 0.14 -2.95 117.98 121.17 1nja s PHE 251 Ca 0.37 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1nja s PHE 251 Cb 0.01 -1.36 -0.00 0.00 -0.34 0.00 0.00 43.02 41.34 1nja s PHE 251 CO 0.21 -0.46 -0.13 0.42 -1.46 0.00 0.00 175.22 173.80 1nja s ILE 252 N 1.04 2.77 -0.33 3.12 1.01 -0.26 -0.17 121.20 128.39 1nja s ILE 252 Ca -0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1nja s ILE 252 Cb -0.15 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1nja s ILE 252 CO -0.02 0.50 0.09 -2.28 0.00 0.00 0.00 174.94 173.23 1nja s HIS 253 N 0.97 3.25 -0.14 3.97 2.46 0.33 -1.10 115.29 125.02 1nja s HIS 253 Ca -0.02 -1.48 -0.05 0.00 0.47 0.00 0.00 55.06 53.98 1nja s HIS 253 Cb -0.15 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.02 1nja s HIS 253 CO -0.02 -0.74 0.03 0.99 -2.47 0.00 0.00 174.74 172.54 1nja s THR 254 N 1.38 4.53 0.23 0.89 2.01 -0.04 -1.48 115.64 123.16 1nja s THR 254 Ca -0.02 -0.14 0.10 0.00 0.31 0.00 0.00 61.69 61.93 1nja s THR 254 Cb -0.19 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1nja s THR 254 CO 0.02 0.53 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.05 1nja s PHE 255 N -0.14 2.62 0.00 4.92 0.40 0.82 -0.90 117.98 125.70 1nja s PHE 255 Ca 0.06 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1nja s PHE 255 Cb -0.12 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1nja s PHE 255 CO 0.02 0.59 0.00 0.41 0.70 0.00 0.00 175.22 176.93 1nja n GLY 256 N -0.46 -0.19 3.37 4.36 0.00 0.66 -3.27 105.19 109.66 1nja n GLY 256 Ca -0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 1nja n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nja s ASP 257 N -0.74 6.75 -0.17 1.61 -1.08 0.55 -1.32 116.67 122.27 1nja s ASP 257 Ca 0.00 -2.52 -0.28 0.00 -0.52 0.00 0.00 52.55 49.23 1nja s ASP 257 Cb 0.00 -2.28 -0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1nja s ASP 257 CO 0.00 -0.73 0.97 0.00 0.52 0.00 0.00 175.17 175.94 1nja s ALA 258 N 0.96 3.54 0.04 3.66 0.00 -0.78 -1.51 121.76 127.67 1nja s ALA 258 Ca 0.24 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1nja s ALA 258 Cb -0.08 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1nja s ALA 258 CO -0.09 -0.78 0.12 -3.38 0.00 0.00 0.00 175.76 171.63 1nja s HIS 259 N 2.49 0.16 -0.15 0.00 -3.43 -0.25 -1.70 115.29 112.41 1nja s HIS 259 Ca 0.44 -0.43 0.02 0.00 -0.80 0.00 0.00 55.06 54.29 1nja s HIS 259 Cb -0.17 -0.11 0.02 0.00 -1.43 0.00 0.00 32.58 30.89 1nja s HIS 259 CO 0.12 -0.37 -0.19 -1.17 -2.00 0.00 0.00 174.74 171.13 1nja s LEU 260 N -2.06 1.97 0.27 5.38 2.96 -0.27 -1.14 118.68 125.80 1nja s LEU 260 Ca -0.06 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 1nja s LEU 260 Cb -0.02 -1.35 -0.10 0.00 0.50 0.00 0.00 46.19 45.23 1nja s LEU 260 CO -0.04 0.02 1.27 -0.31 -1.32 0.00 0.00 176.35 175.97 1nja s TYR 261 N 1.11 3.23 0.35 5.38 2.02 -1.26 -1.08 117.35 127.10 1nja s TYR 261 Ca -0.01 1.40 0.12 0.00 -0.37 0.00 0.00 57.07 58.21 1nja s TYR 261 Cb -0.14 -3.57 0.92 0.00 -0.40 0.00 0.00 41.96 38.76 1nja s TYR 261 CO -0.07 -1.60 1.79 -0.39 -1.57 0.00 0.00 175.55 173.71 1nja h VAL 262 N 3.31 0.65 -0.08 0.71 -1.51 -1.41 -0.04 116.25 117.88 1nja h VAL 262 Ca -0.47 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1nja h VAL 262 Cb 1.22 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1nja h VAL 262 CO 0.70 0.11 0.02 -0.46 -1.23 0.00 0.00 177.57 176.70 1nja n ASN 263 N -4.67 1.91 0.00 4.19 0.23 -1.26 -2.64 115.26 113.02 1nja n ASN 263 Ca 0.23 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 1nja n ASN 263 Cb 0.68 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1nja n ASN 263 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1nja n HIS 264 N 0.12 0.00 -0.21 -2.53 8.25 -0.03 -4.75 115.22 116.08 1nja n HIS 264 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1nja n HIS 264 Cb 0.43 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.66 1nja n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nja h LEU 265 N 0.00 0.11 -0.12 2.41 4.07 -1.58 0.15 115.31 120.34 1nja h LEU 265 Ca 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1nja h LEU 265 Cb 0.01 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1nja h LEU 265 CO 0.00 0.06 0.03 0.44 -1.08 0.00 0.00 178.44 177.89 1nja h ASP 266 N 0.33 0.19 -0.24 -0.43 3.32 -1.88 -1.94 116.42 115.77 1nja h ASP 266 Ca 0.32 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1nja h ASP 266 Cb 0.46 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1nja h ASP 266 CO -0.37 0.38 0.04 1.56 -1.72 0.00 0.00 179.24 179.12 1nja h GLN 267 N -0.01 0.12 -0.47 3.56 7.50 -1.80 -0.50 115.11 123.51 1nja h GLN 267 Ca 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1nja h GLN 267 Cb 0.26 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1nja h GLN 267 CO 0.00 0.08 0.16 0.97 -1.50 0.00 0.00 178.83 178.54 1nja h ILE 268 N 0.12 1.19 0.00 2.54 6.09 -0.93 0.04 117.51 126.56 1nja h ILE 268 Ca 0.11 -0.63 -0.02 0.00 -1.37 0.00 0.00 64.86 62.95 1nja h ILE 268 Cb 0.12 0.66 -0.00 0.00 0.47 0.00 0.00 36.82 38.06 1nja h ILE 268 CO -0.16 0.24 -0.11 0.11 -3.07 0.00 0.00 178.15 175.16 1nja h LYS 269 N 0.68 0.00 0.06 2.19 1.57 -0.45 -1.66 116.57 118.96 1nja h LYS 269 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1nja h LYS 269 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nja h LYS 269 CO -0.01 0.11 -0.03 0.93 -0.57 0.00 0.00 179.45 179.88 1nja h GLU 270 N 0.00 -0.07 -0.47 3.15 5.08 0.56 -3.22 114.58 119.61 1nja h GLU 270 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1nja h GLU 270 Cb 0.56 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1nja h GLU 270 CO 0.01 0.31 0.16 1.96 -1.00 0.00 0.00 179.01 180.46 1nja h GLN 271 N -0.47 0.32 0.00 2.33 4.20 -1.01 -2.15 115.11 118.33 1nja h GLN 271 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nja h GLN 271 Cb 0.42 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1nja h GLN 271 CO 0.01 0.21 0.00 1.28 -0.67 0.00 0.00 178.83 179.67 1nja n LEU 272 N -5.01 0.17 0.01 1.46 4.77 -0.68 -0.85 117.00 116.87 1nja n LEU 272 Ca 0.04 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1nja n LEU 272 Cb 0.19 -0.60 0.16 0.00 -2.33 0.00 0.00 43.42 40.83 1nja n LEU 272 CO 0.25 -0.64 0.31 -1.54 -1.33 0.00 0.00 177.39 174.44 1nja n SER 273 N -1.74 0.60 -4.89 -1.43 3.41 -0.81 -4.90 113.62 103.86 1nja n SER 273 Ca -0.00 -0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.01 1nja n SER 273 Cb 0.01 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1nja n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nja s ARG 274 N -3.05 3.71 -0.14 4.33 0.52 -0.03 -5.08 118.95 119.21 1nja s ARG 274 Ca 0.09 0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1nja s ARG 274 Cb 0.16 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 1nja s ARG 274 CO 0.74 -0.02 -0.12 0.95 0.02 0.00 0.00 175.30 176.86 1nja s THR 275 N -2.39 3.07 0.52 0.02 -4.23 -1.26 -5.05 115.64 106.32 1nja s THR 275 Ca 0.49 -0.65 -0.19 0.00 -1.18 0.00 0.00 61.69 60.16 1nja s THR 275 Cb -0.10 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.33 1nja s THR 275 CO 0.34 0.52 0.46 -2.65 -0.54 0.00 0.00 174.62 172.74 1nja n PRO 276 N 3.62 0.48 -3.98 3.99 -0.02 -1.26 -4.91 135.00 132.92 1nja n PRO 276 Ca -0.18 0.18 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 1nja n PRO 276 Cb 0.53 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1nja n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nja s ARG 277 N -1.82 2.36 0.34 -0.52 3.00 -1.26 -5.06 118.95 115.99 1nja s ARG 277 Ca 0.66 -1.66 -0.29 0.00 0.00 0.00 0.00 55.73 54.44 1nja s ARG 277 Cb -0.49 -2.15 -0.12 0.00 0.00 0.00 0.00 34.95 32.19 1nja s ARG 277 CO 0.57 -0.05 1.47 -2.30 0.00 0.00 0.00 175.30 174.98 1nja n PRO 278 N -1.29 2.52 -1.98 3.54 -0.02 -1.26 -4.88 135.00 131.63 1nja n PRO 278 Ca -0.01 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 1nja n PRO 278 Cb 0.63 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1nja n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nja s ALA 279 N -0.72 3.47 0.96 3.55 0.00 -1.26 -4.81 121.76 122.95 1nja s ALA 279 Ca 0.58 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 1nja s ALA 279 Cb -0.51 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.24 1nja s ALA 279 CO 0.58 -0.84 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 1nja s PRO 280 N -2.00 0.74 -0.05 0.00 0.04 -1.26 -4.68 135.00 127.80 1nja s PRO 280 Ca 0.52 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1nja s PRO 280 Cb -0.42 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1nja s PRO 280 CO 0.56 -2.55 -0.13 0.99 0.04 0.00 0.00 177.00 175.91 1nja s THR 281 N -2.95 3.16 -0.04 1.26 2.01 -0.80 -0.65 115.64 117.64 1nja s THR 281 Ca 0.65 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1nja s THR 281 Cb -0.18 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1nja s THR 281 CO 0.57 0.59 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.76 1nja s LEU 282 N -0.74 2.89 -0.07 4.42 2.96 -1.26 0.12 118.68 127.00 1nja s LEU 282 Ca 0.12 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1nja s LEU 282 Cb -0.11 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 45.00 1nja s LEU 282 CO 0.01 0.33 0.15 0.00 -1.32 0.00 0.00 176.35 175.51 1nja s GLN 283 N -0.93 0.07 0.24 1.98 -2.07 0.01 -4.96 119.66 114.00 1nja s GLN 283 Ca 0.13 0.41 0.00 0.00 -1.82 0.00 0.00 55.36 54.08 1nja s GLN 283 Cb -0.11 -0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.57 1nja s GLN 283 CO 0.02 -0.20 0.43 -0.51 -1.32 0.00 0.00 175.29 173.71 1nja s LEU 284 N 1.44 4.18 -0.20 2.60 2.01 -1.26 -1.39 118.68 126.06 1nja s LEU 284 Ca -0.06 0.39 -0.28 0.00 0.01 0.00 0.00 54.13 54.18 1nja s LEU 284 Cb -0.12 -3.18 -0.05 0.00 0.01 0.00 0.00 46.19 42.85 1nja s LEU 284 CO -0.06 -0.11 2.21 -3.20 1.01 0.00 0.00 176.35 176.20 1nja n ASN 285 N -1.00 3.30 0.31 2.29 2.85 0.66 -4.82 115.26 118.85 1nja n ASN 285 Ca -0.05 0.25 0.20 0.00 -0.11 0.00 0.00 54.58 54.87 1nja n ASN 285 Cb 0.55 -1.55 1.04 0.00 1.24 0.00 0.00 39.78 41.06 1nja n ASN 285 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1nja h PRO 286 N 14.75 0.00 0.00 1.20 0.13 -1.95 -3.19 132.00 142.94 1nja h PRO 286 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1nja h PRO 286 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nja h PRO 286 CO 0.96 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 1nja n ASP 287 N -3.22 0.00 -4.51 1.44 8.00 -1.26 -4.90 116.55 112.11 1nja n ASP 287 Ca -0.02 0.51 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 1nja n ASP 287 Cb 0.18 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1nja n ASP 287 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nja n LYS 288 N -1.84 0.82 0.03 -1.24 5.02 -1.21 -4.95 118.16 114.78 1nja n LYS 288 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1nja n LYS 288 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 1nja n LYS 288 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nja n HIS 289 N -0.52 -0.30 -1.71 2.13 8.25 -1.26 -4.90 115.22 116.92 1nja n HIS 289 Ca 0.11 0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.38 1nja n HIS 289 Cb 0.37 0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 1nja n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nja s ASP 290 N -5.18 4.41 0.59 0.41 2.15 -1.26 -4.36 116.67 113.43 1nja s ASP 290 Ca 0.00 0.21 0.29 0.00 0.43 0.00 0.00 52.55 53.49 1nja s ASP 290 Cb 0.00 -2.54 1.38 0.00 -0.30 0.00 0.00 42.92 41.47 1nja s ASP 290 CO 0.00 -3.25 1.77 0.16 -0.17 0.00 0.00 175.17 173.69 1nja h ILE 291 N 7.52 0.29 0.00 4.11 3.07 -1.92 0.29 117.51 130.87 1nja h ILE 291 Ca -0.07 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.32 1nja h ILE 291 Cb 1.09 0.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1nja h ILE 291 CO 1.11 0.00 -0.10 -0.26 -1.05 0.00 0.00 178.15 177.85 1nja h PHE 292 N 0.00 0.00 -0.16 0.16 0.04 -1.88 0.05 116.94 115.15 1nja h PHE 292 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1nja h PHE 292 Cb 1.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.77 1nja h PHE 292 CO 0.00 0.10 0.00 -3.47 -0.60 0.00 0.00 178.31 174.34 1nja n ASP 293 N -3.77 2.37 -4.76 2.17 2.03 0.10 -4.82 116.55 109.88 1nja n ASP 293 Ca -0.02 -1.80 -0.39 0.00 0.52 0.00 0.00 54.79 53.10 1nja n ASP 293 Cb 0.20 -0.09 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1nja n ASP 293 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1nja s PHE 294 N -1.81 2.60 0.21 -0.67 0.40 0.00 -5.03 117.98 113.68 1nja s PHE 294 Ca 0.34 1.39 0.09 0.00 -0.60 0.00 0.00 56.93 58.15 1nja s PHE 294 Cb 0.20 -3.71 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 1nja s PHE 294 CO 0.30 -2.40 -0.17 0.34 0.70 0.00 0.00 175.22 173.99 1nja s ASP 295 N -0.85 2.88 0.39 1.36 2.15 -1.26 -5.05 116.67 116.29 1nja s ASP 295 Ca 0.63 -0.96 0.13 0.00 0.43 0.00 0.00 52.55 52.77 1nja s ASP 295 Cb -0.38 -0.19 0.94 0.00 -0.30 0.00 0.00 42.92 42.99 1nja s ASP 295 CO 0.48 -0.06 1.88 0.24 -0.17 0.00 0.00 175.17 177.53 1nja h MET 296 N 2.75 0.54 0.00 4.34 2.86 -1.95 0.12 114.93 123.58 1nja h MET 296 Ca -0.40 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1nja h MET 296 Cb 1.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1nja h MET 296 CO 0.57 0.35 0.00 1.57 1.06 0.00 0.00 176.91 180.47 1nja h LYS 297 N 0.55 0.00 0.00 1.72 5.09 -2.03 -2.49 116.57 119.42 1nja h LYS 297 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.17 1nja h LYS 297 Cb 0.86 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.19 1nja h LYS 297 CO -0.18 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 176.93 1nja n ASP 298 N -2.48 0.00 -4.11 7.07 8.00 0.42 -4.68 116.55 120.77 1nja n ASP 298 Ca 0.02 -0.43 -0.28 0.00 0.71 0.00 0.00 54.79 54.81 1nja n ASP 298 Cb 0.24 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 1nja n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nja s ILE 299 N -2.31 1.52 0.01 0.53 1.01 -0.94 -0.25 121.20 120.77 1nja s ILE 299 Ca 0.32 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1nja s ILE 299 Cb 0.18 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1nja s ILE 299 CO 0.35 0.44 -0.06 -0.54 0.00 0.00 0.00 174.94 175.13 1nja s LYS 300 N 0.45 0.49 -0.55 2.79 1.02 -0.48 -5.00 119.74 118.45 1nja s LYS 300 Ca -0.14 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 1nja s LYS 300 Cb -0.16 -0.42 0.14 0.00 -0.52 0.00 0.00 37.83 36.87 1nja s LYS 300 CO 0.05 0.11 0.34 -1.17 -0.92 0.00 0.00 175.35 173.76 1nja s LEU 301 N -0.51 5.09 0.33 3.17 1.98 -1.26 -0.81 118.68 126.67 1nja s LEU 301 Ca -0.01 -2.66 -0.28 0.00 -2.89 0.00 0.00 54.13 48.29 1nja s LEU 301 Cb -0.04 -1.81 -0.10 0.00 0.66 0.00 0.00 46.19 44.90 1nja s LEU 301 CO -0.00 -0.39 1.28 -0.76 -1.89 0.00 0.00 176.35 174.58 1nja s LEU 302 N 0.23 4.42 -0.02 -0.68 1.02 0.33 -4.55 118.68 119.43 1nja s LEU 302 Ca 0.15 2.62 -0.01 0.00 0.02 0.00 0.00 54.13 56.91 1nja s LEU 302 Cb -0.22 -3.68 0.00 0.00 0.02 0.00 0.00 46.19 42.32 1nja s LEU 302 CO -0.03 -0.51 0.02 -0.46 0.02 0.00 0.00 176.35 175.39 1nja n ASN 303 N 0.78 -0.96 -4.19 2.29 6.94 -1.26 -1.91 115.26 116.94 1nja n ASN 303 Ca 0.00 0.04 -0.35 0.00 -0.02 0.00 0.00 54.58 54.26 1nja n ASN 303 Cb 0.42 -0.24 -0.14 0.00 -2.36 0.00 0.00 39.78 37.46 1nja n ASN 303 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1nja s TYR 304 N -0.17 3.13 -0.61 -2.53 5.04 -1.26 -4.40 117.35 116.54 1nja s TYR 304 Ca 0.01 -1.66 0.04 0.00 -2.44 0.00 0.00 57.07 53.02 1nja s TYR 304 Cb -0.00 -2.07 0.15 0.00 0.35 0.00 0.00 41.96 40.39 1nja s TYR 304 CO 0.03 -0.75 0.38 -0.51 -1.34 0.00 0.00 175.55 173.36 1nja s ASP 305 N 1.30 4.62 0.48 4.32 1.11 -1.26 -5.10 116.67 122.14 1nja s ASP 305 Ca -0.02 -3.39 -0.03 0.00 0.18 0.00 0.00 52.55 49.29 1nja s ASP 305 Cb -0.18 -1.66 -0.02 0.00 1.07 0.00 0.00 42.92 42.14 1nja s ASP 305 CO -0.03 -0.17 0.74 -2.16 1.18 0.00 0.00 175.17 174.73 1nja s PRO 306 N -0.82 3.25 0.91 8.23 0.04 -1.26 -4.88 135.00 140.46 1nja s PRO 306 Ca 0.21 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 1nja s PRO 306 Cb -0.16 -2.45 0.13 0.00 0.04 0.00 0.00 34.50 32.06 1nja s PRO 306 CO -0.08 -0.28 1.13 0.71 0.04 0.00 0.00 177.00 178.52 1nja s TYR 307 N -2.68 2.52 1.32 0.56 1.51 0.13 -4.89 117.35 115.83 1nja s TYR 307 Ca 0.48 0.88 -0.19 0.00 -1.01 0.00 0.00 57.07 57.23 1nja s TYR 307 Cb -0.10 -3.37 0.32 0.00 -0.11 0.00 0.00 41.96 38.70 1nja s TYR 307 CO 0.41 -2.34 0.81 -0.35 -1.11 0.00 0.00 175.55 172.98 1nja n PRO 308 N -3.75 -3.69 -2.11 -1.71 -0.04 -1.26 -2.74 135.00 119.70 1nja n PRO 308 Ca 0.06 -1.08 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 1nja n PRO 308 Cb 0.59 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1nja n PRO 308 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nja s ALA 309 N -2.21 3.14 -0.08 0.55 0.00 -1.26 -2.64 121.76 119.26 1nja s ALA 309 Ca 0.64 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.55 1nja s ALA 309 Cb -0.16 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1nja s ALA 309 CO 0.59 -0.53 -0.23 0.42 0.00 0.00 0.00 175.76 176.00 1nja s ILE 310 N -2.99 1.95 0.05 0.00 1.01 -1.26 -4.89 121.20 115.07 1nja s ILE 310 Ca 0.55 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1nja s ILE 310 Cb -0.11 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1nja s ILE 310 CO 0.48 0.54 0.36 -0.75 0.00 0.00 0.00 174.94 175.57 1nja s LYS 311 N 0.20 3.71 -0.23 2.79 2.20 -1.26 -5.05 119.74 122.10 1nja s LYS 311 Ca -0.13 0.11 -0.26 0.00 -0.36 0.00 0.00 55.97 55.33 1nja s LYS 311 Cb -0.16 -3.03 0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1nja s LYS 311 CO 0.07 0.59 0.80 0.00 -0.36 0.00 0.00 175.35 176.44 1nja s ALA 312 N -1.35 -1.83 0.32 3.13 0.00 -1.26 -4.95 121.76 115.83 1nja s ALA 312 Ca 0.31 1.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.85 1nja s ALA 312 Cb -0.14 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 21.83 1nja s ALA 312 CO 0.17 -0.32 1.53 -2.14 0.00 0.00 0.00 175.76 175.00 1nja s PRO 313 N 0.04 4.14 0.37 0.00 0.02 -1.26 -5.02 135.00 133.29 1nja s PRO 313 Ca -0.01 2.54 -0.18 0.00 0.02 0.00 0.00 61.00 63.37 1nja s PRO 313 Cb -0.04 -3.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 1nja s PRO 313 CO 0.01 -0.56 0.84 0.08 -0.33 0.00 0.00 177.00 177.04 1nja s VAL 314 N -0.48 4.53 -0.26 3.83 1.01 -1.26 -5.01 120.40 122.76 1nja s VAL 314 Ca 0.58 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1nja s VAL 314 Cb -0.46 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.38 1nja s VAL 314 CO 0.54 -0.24 0.03 0.00 0.00 0.00 0.00 175.10 175.43 1nja s ALA 315 N -2.06 1.59 0.00 5.51 0.00 -1.26 -5.12 121.76 120.42 1nja s ALA 315 Ca 0.58 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1nja s ALA 315 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1nja s ALA 315 CO 0.15 -1.38 0.00 1.33 0.00 0.00 0.00 175.76 175.86