#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajp s ASN 2 N 0.00 2.52 -0.25 6.43 6.03 -0.29 -3.78 114.94 125.59 1ajp s ASN 2 Ca 0.00 -1.43 -0.26 0.00 -1.03 0.00 0.00 52.86 50.14 1ajp s ASN 2 Cb 0.00 0.02 0.08 0.00 -3.03 0.00 0.00 41.25 38.32 1ajp s ASN 2 CO 0.00 -0.66 0.79 -0.32 -2.03 0.00 0.00 177.10 174.88 1ajp s MET 3 N -3.86 0.78 -0.02 3.55 1.75 -0.96 -0.28 119.30 120.26 1ajp s MET 3 Ca 0.34 0.84 0.02 0.00 -1.25 0.00 0.00 55.69 55.63 1ajp s MET 3 Cb 0.08 0.38 0.01 0.00 2.84 0.00 0.00 34.83 38.13 1ajp s MET 3 CO 0.15 -0.11 -0.05 1.67 -0.65 0.00 0.00 175.02 176.03 1ajp s TRP 4 N 0.19 0.61 -0.11 4.11 -2.14 -0.69 -1.65 118.94 119.26 1ajp s TRP 4 Ca -0.00 -0.13 0.02 0.00 2.66 0.00 0.00 56.10 58.65 1ajp s TRP 4 Cb -0.05 -0.47 0.01 0.00 -3.10 0.00 0.00 33.47 29.87 1ajp s TRP 4 CO 0.00 -0.08 -0.16 0.08 -2.66 0.00 0.00 176.95 174.13 1ajp s VAL 5 N 0.30 1.54 -0.24 -0.66 1.01 0.48 -1.34 120.40 121.50 1ajp s VAL 5 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ajp s VAL 5 Cb -0.08 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1ajp s VAL 5 CO -0.00 0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 1ajp s ILE 6 N 0.90 3.29 0.85 2.22 1.01 0.14 -1.57 121.20 128.03 1ajp s ILE 6 Ca -0.08 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1ajp s ILE 6 Cb -0.15 -2.56 0.18 0.00 0.01 0.00 0.00 42.46 39.94 1ajp s ILE 6 CO -0.00 0.33 1.15 0.61 0.00 0.00 0.00 174.94 177.03 1ajp n GLY 7 N 4.77 -0.28 0.32 6.18 0.00 -0.68 -1.41 105.19 114.09 1ajp n GLY 7 Ca -0.17 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1ajp n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ajp n LYS 8 N -3.29 -0.22 0.25 1.61 5.02 0.03 -1.07 118.16 120.49 1ajp n LYS 8 Ca 0.17 1.25 0.15 0.00 -2.02 0.00 0.00 58.31 57.85 1ajp n LYS 8 Cb 0.59 -1.85 0.55 0.00 -0.02 0.00 0.00 35.03 34.30 1ajp n LYS 8 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ajp h SER 9 N 0.00 0.00 -0.00 4.39 4.64 -1.88 -3.21 113.55 117.49 1ajp h SER 9 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ajp h SER 9 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ajp h SER 9 CO -0.80 0.06 -0.65 0.29 -0.87 0.00 0.00 176.83 174.86 1ajp n LYS 10 N -3.17 2.10 -3.23 4.77 5.02 -0.47 -4.89 118.16 118.29 1ajp n LYS 10 Ca 0.01 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 1ajp n LYS 10 Cb 0.37 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1ajp n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajp s ALA 11 N -2.32 3.45 -0.12 7.82 0.00 -0.23 -1.25 121.76 129.09 1ajp s ALA 11 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1ajp s ALA 11 Cb 0.11 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.59 1ajp s ALA 11 CO 0.58 0.39 -0.15 -1.14 0.00 0.00 0.00 175.76 175.44 1ajp s GLN 12 N -2.51 2.28 -0.81 0.00 2.00 0.59 -4.68 119.66 116.52 1ajp s GLN 12 Ca 0.47 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.26 1ajp s GLN 12 Cb -0.13 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.69 1ajp s GLN 12 CO 0.19 -0.12 0.00 -0.25 -0.50 0.00 0.00 175.29 174.61 1ajp n ASP 13 N 4.41 -3.40 -3.64 6.67 8.00 -1.26 -4.34 116.55 122.98 1ajp n ASP 13 Ca -0.18 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ajp n ASP 13 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.25 1ajp n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajp s ALA 14 N -2.40 -2.10 -0.17 2.24 0.00 -1.26 -1.98 121.76 116.09 1ajp s ALA 14 Ca 0.00 0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.32 1ajp s ALA 14 Cb 0.00 0.63 -0.20 0.00 0.00 0.00 0.00 23.12 23.55 1ajp s ALA 14 CO 0.00 -1.08 0.38 1.63 0.00 0.00 0.00 175.76 176.68 1ajp n LYS 15 N -0.65 0.91 -3.62 0.00 5.02 -0.32 -4.73 118.16 114.76 1ajp n LYS 15 Ca -0.04 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 1ajp n LYS 15 Cb 0.61 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 1ajp n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajp s ALA 16 N -2.83 -1.82 -0.01 7.82 0.00 -1.22 -0.79 121.76 122.91 1ajp s ALA 16 Ca -0.03 1.92 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1ajp s ALA 16 Cb 0.09 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1ajp s ALA 16 CO 0.59 -0.32 -0.01 0.42 0.00 0.00 0.00 175.76 176.44 1ajp s ILE 17 N 0.15 0.11 -0.08 0.00 1.01 -0.50 -1.59 121.20 120.30 1ajp s ILE 17 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1ajp s ILE 17 Cb -0.04 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.30 1ajp s ILE 17 CO 0.01 0.07 -0.08 -0.32 0.00 0.00 0.00 174.94 174.62 1ajp s MET 18 N 0.36 1.38 -0.07 2.79 -2.45 -0.79 0.28 119.30 120.79 1ajp s MET 18 Ca -0.03 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1ajp s MET 18 Cb -0.05 -1.36 -0.00 0.00 1.25 0.00 0.00 34.83 34.67 1ajp s MET 18 CO -0.01 -0.15 -0.21 0.08 1.05 0.00 0.00 175.02 175.77 1ajp s VAL 19 N 1.30 1.81 -0.04 10.11 1.01 -0.45 -1.55 120.40 132.60 1ajp s VAL 19 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1ajp s VAL 19 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1ajp s VAL 19 CO -0.03 0.51 -0.04 0.21 0.00 0.00 0.00 175.10 175.74 1ajp s ASN 20 N 0.18 0.82 -0.53 3.32 3.04 -0.91 -1.71 114.94 119.15 1ajp s ASN 20 Ca -0.11 -0.11 0.04 0.00 0.04 0.00 0.00 52.86 52.72 1ajp s ASN 20 Cb -0.15 -0.37 0.16 0.00 -1.54 0.00 0.00 41.25 39.35 1ajp s ASN 20 CO 0.05 -0.04 0.36 -0.83 -3.04 0.00 0.00 177.10 173.61 1ajp s GLY 21 N 0.76 1.98 0.21 1.21 0.00 0.62 -2.52 107.32 109.58 1ajp s GLY 21 Ca -0.10 -3.00 -0.31 0.00 0.00 0.00 0.00 44.72 41.32 1ajp s GLY 21 CO -0.00 1.56 1.49 2.56 0.00 0.00 0.00 173.10 178.71 1ajp s PRO 22 N -0.39 4.25 -0.31 2.90 0.04 -1.25 -1.14 135.00 139.08 1ajp s PRO 22 Ca 0.25 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 1ajp s PRO 22 Cb -0.08 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.39 1ajp s PRO 22 CO -0.12 -0.49 0.02 -0.65 0.04 0.00 0.00 177.00 175.80 1ajp s GLN 23 N 0.26 2.33 0.00 4.56 -0.21 -1.26 -0.71 119.66 124.63 1ajp s GLN 23 Ca 0.64 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1ajp s GLN 23 Cb -0.42 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.36 1ajp s GLN 23 CO 0.38 -0.69 0.60 1.19 -2.12 0.00 0.00 175.29 174.66 1ajp n PHE 24 N 4.60 0.00 0.00 0.91 3.72 -1.26 -4.61 117.46 120.82 1ajp n PHE 24 Ca -0.11 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1ajp n PHE 24 Cb 0.43 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1ajp n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ajp n GLY 25 N -0.12 -3.07 2.82 1.37 0.00 -1.26 -4.99 105.19 99.94 1ajp n GLY 25 Ca 0.00 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1ajp n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ajp s TRP 26 N -0.72 0.88 0.14 1.61 0.51 -1.26 -4.63 118.94 115.47 1ajp s TRP 26 Ca 0.00 -0.31 0.03 0.00 -2.12 0.00 0.00 56.10 53.71 1ajp s TRP 26 Cb 0.00 -0.88 -0.04 0.00 -0.81 0.00 0.00 33.47 31.74 1ajp s TRP 26 CO 0.00 -0.35 -0.07 0.71 -0.51 0.00 0.00 176.95 176.73 1ajp s TYR 27 N 1.72 1.18 -0.08 -1.98 2.02 -1.26 -2.13 117.35 116.81 1ajp s TYR 27 Ca 0.02 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1ajp s TYR 27 Cb -0.13 -0.63 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 1ajp s TYR 27 CO -0.05 -0.03 -0.06 0.00 -1.57 0.00 0.00 175.55 173.84 1ajp s ALA 28 N -3.46 1.07 1.04 3.71 0.00 0.11 -3.33 121.76 120.91 1ajp s ALA 28 Ca 0.17 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1ajp s ALA 28 Cb 0.04 -0.73 0.21 0.00 0.00 0.00 0.00 23.12 22.64 1ajp s ALA 28 CO 0.00 -0.26 1.10 -1.25 0.00 0.00 0.00 175.76 175.35 1ajp s PRO 29 N 1.44 0.05 0.57 0.00 0.04 -1.26 -4.26 135.00 131.59 1ajp s PRO 29 Ca -0.01 0.33 -0.20 0.00 0.04 0.00 0.00 61.00 61.16 1ajp s PRO 29 Cb -0.13 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1ajp s PRO 29 CO -0.04 -2.95 1.12 0.00 0.04 0.00 0.00 177.00 175.17 1ajp n ALA 30 N -4.29 0.68 -0.10 8.56 0.00 -1.21 -4.93 120.51 119.22 1ajp n ALA 30 Ca 0.07 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1ajp n ALA 30 Cb 0.58 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 1ajp n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1ajp h TYR 31 N 0.86 0.82 -1.72 0.00 3.20 -1.83 -3.45 116.97 114.84 1ajp h TYR 31 Ca -0.49 -0.22 -0.48 0.00 3.14 0.00 0.00 58.73 60.68 1ajp h TYR 31 Cb 1.34 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 1ajp h TYR 31 CO 0.41 0.94 -0.40 0.95 -1.64 0.00 0.00 178.16 178.42 1ajp s THR 32 N -4.51 3.34 -0.08 1.81 -4.23 -1.26 -2.36 115.64 108.35 1ajp s THR 32 Ca -0.12 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1ajp s THR 32 Cb 0.09 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.80 1ajp s THR 32 CO 0.82 -0.11 -0.06 -0.47 -0.54 0.00 0.00 174.62 174.25 1ajp s TYR 33 N -2.33 1.17 0.20 3.99 5.04 0.22 -4.87 117.35 120.77 1ajp s TYR 33 Ca 0.44 -0.49 -0.24 0.00 -2.44 0.00 0.00 57.07 54.35 1ajp s TYR 33 Cb -0.06 -1.01 -0.08 0.00 0.35 0.00 0.00 41.96 41.16 1ajp s TYR 33 CO 0.28 -0.38 0.78 0.20 -1.34 0.00 0.00 175.55 175.10 1ajp s GLY 34 N 1.44 2.82 -0.28 8.97 0.00 -1.26 -2.09 107.32 116.92 1ajp s GLY 34 Ca -0.01 0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.82 1ajp s GLY 34 CO -0.04 0.78 0.89 -1.50 0.00 0.00 0.00 173.10 173.23 1ajp s ILE 35 N -1.32 0.00 -0.04 0.90 1.10 -0.95 -4.99 121.20 115.90 1ajp s ILE 35 Ca 0.40 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.61 1ajp s ILE 35 Cb -0.21 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.39 1ajp s ILE 35 CO 0.24 0.00 -0.25 -0.83 -2.11 0.00 0.00 174.94 171.99 1ajp s GLY 36 N 0.82 1.27 -0.11 1.50 0.00 -1.26 -2.89 107.32 106.64 1ajp s GLY 36 Ca -0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 1ajp s GLY 36 CO -0.10 -0.76 -0.05 1.08 0.00 0.00 0.00 173.10 173.27 1ajp s LEU 37 N -0.35 1.07 -0.31 0.66 1.43 -0.67 -4.99 118.68 115.52 1ajp s LEU 37 Ca 0.02 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1ajp s LEU 37 Cb -0.12 -0.73 0.10 0.00 0.03 0.00 0.00 46.19 45.46 1ajp s LEU 37 CO 0.02 -0.15 0.08 -1.00 0.23 0.00 0.00 176.35 175.52 1ajp s HIS 38 N 1.78 2.03 0.00 0.29 3.76 -1.26 -0.66 115.29 121.24 1ajp s HIS 38 Ca 0.04 -1.90 0.00 0.00 -0.15 0.00 0.00 55.06 53.06 1ajp s HIS 38 Cb -0.13 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1ajp s HIS 38 CO -0.07 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.35 1ajp n GLY 39 N 4.75 3.63 2.99 -2.22 0.00 0.61 -5.00 105.19 109.95 1ajp n GLY 39 Ca -0.02 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 1ajp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajp n ALA 40 N -1.85 -0.94 0.00 4.61 0.00 -1.26 -0.73 120.51 120.34 1ajp n ALA 40 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ajp n ALA 40 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.08 1ajp n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajp n GLY 41 N -1.36 2.44 3.83 0.00 0.00 -1.26 -5.04 105.19 103.80 1ajp n GLY 41 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1ajp n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ajp s TYR 42 N -2.29 3.65 -0.45 1.61 2.02 0.09 -4.85 117.35 117.14 1ajp s TYR 42 Ca 0.00 0.82 0.05 0.00 -0.37 0.00 0.00 57.07 57.57 1ajp s TYR 42 Cb 0.00 -2.22 0.18 0.00 -0.40 0.00 0.00 41.96 39.52 1ajp s TYR 42 CO 0.00 0.60 0.50 0.34 -1.57 0.00 0.00 175.55 175.42 1ajp s ASP 43 N -0.80 0.24 0.17 2.29 2.15 -1.19 -0.29 116.67 119.23 1ajp s ASP 43 Ca 0.21 -2.42 0.06 0.00 0.43 0.00 0.00 52.55 50.83 1ajp s ASP 43 Cb -0.15 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1ajp s ASP 43 CO 0.10 -0.13 -0.12 0.68 -0.17 0.00 0.00 175.17 175.52 1ajp s VAL 44 N 0.50 1.44 -0.09 1.11 -7.23 0.17 -4.38 120.40 111.91 1ajp s VAL 44 Ca 0.30 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1ajp s VAL 44 Cb 0.01 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 35.07 1ajp s VAL 44 CO -0.13 -0.65 0.24 0.28 -0.31 0.00 0.00 175.10 174.54 1ajp s THR 45 N -3.05 0.00 -3.57 5.32 -1.32 -0.88 -1.68 115.64 110.47 1ajp s THR 45 Ca 0.18 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1ajp s THR 45 Cb 0.00 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1ajp s THR 45 CO 0.04 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1ajp n GLY 46 N 2.85 -0.55 3.25 6.08 0.00 -1.14 -1.71 105.19 113.97 1ajp n GLY 46 Ca -0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1ajp n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajp s ASN 47 N -4.00 -0.05 -0.16 1.61 2.20 -0.05 -2.24 114.94 112.24 1ajp s ASN 47 Ca 0.00 -0.45 -0.25 0.00 -0.94 0.00 0.00 52.86 51.22 1ajp s ASN 47 Cb 0.00 0.39 0.06 0.00 -2.00 0.00 0.00 41.25 39.70 1ajp s ASN 47 CO 0.00 -0.75 0.64 0.28 -2.94 0.00 0.00 177.10 174.32 1ajp s THR 48 N -3.60 0.00 0.35 0.54 -1.32 -0.89 -2.38 115.64 108.34 1ajp s THR 48 Ca 0.02 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 1ajp s THR 48 Cb 0.03 -0.92 -0.11 0.00 -1.51 0.00 0.00 72.50 69.99 1ajp s THR 48 CO -0.10 -0.02 1.49 -2.84 -2.21 0.00 0.00 174.62 170.94 1ajp s PRO 49 N -0.30 4.14 -1.17 7.08 0.02 -1.26 -0.61 135.00 142.91 1ajp s PRO 49 Ca -0.05 2.53 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 1ajp s PRO 49 Cb -0.03 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.54 1ajp s PRO 49 CO 0.04 -0.52 0.33 1.19 -0.33 0.00 0.00 177.00 177.72 1ajp n PHE 50 N 0.92 -1.70 -4.29 6.54 3.72 -0.99 -2.20 117.46 119.45 1ajp n PHE 50 Ca 0.03 0.32 -0.38 0.00 -0.05 0.00 0.00 57.45 57.37 1ajp n PHE 50 Cb 0.39 -2.84 -0.04 0.00 -0.94 0.00 0.00 39.48 36.05 1ajp n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajp n ALA 51 N -3.12 -1.22 -1.25 4.37 0.00 -1.16 -4.90 120.51 113.23 1ajp n ALA 51 Ca -0.05 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1ajp n ALA 51 Cb 0.56 -3.14 0.07 0.00 0.00 0.00 0.00 19.45 16.93 1ajp n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ajp n TYR 52 N -4.24 -1.05 -0.22 0.00 4.01 -0.93 -4.86 117.16 109.87 1ajp n TYR 52 Ca 0.09 0.34 -0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1ajp n TYR 52 Cb 0.48 -1.89 0.07 0.00 -0.31 0.00 0.00 39.34 37.68 1ajp n TYR 52 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1ajp h PRO 53 N -0.37 0.00 -6.17 -0.72 0.11 -1.94 -3.40 132.00 119.51 1ajp h PRO 53 Ca -0.45 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1ajp h PRO 53 Cb 1.35 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 1ajp h PRO 53 CO 0.42 0.00 0.01 0.20 -0.21 0.00 0.00 178.00 178.42 1ajp s GLY 54 N -3.51 2.66 -0.37 -0.55 0.00 -1.26 -4.88 107.32 99.41 1ajp s GLY 54 Ca -0.14 0.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 1ajp s GLY 54 CO 0.74 0.70 0.88 1.08 0.00 0.00 0.00 173.10 176.49 1ajp s LEU 55 N -0.51 4.05 0.32 0.66 1.02 -1.26 -4.89 118.68 118.07 1ajp s LEU 55 Ca 0.31 0.48 0.15 0.00 0.02 0.00 0.00 54.13 55.09 1ajp s LEU 55 Cb -0.19 -3.18 0.48 0.00 0.02 0.00 0.00 46.19 43.33 1ajp s LEU 55 CO 0.19 -0.82 1.65 0.58 0.02 0.00 0.00 176.35 177.96 1ajp h VAL 56 N 5.81 1.10 -3.30 -1.59 2.07 -1.91 -3.42 116.25 115.01 1ajp h VAL 56 Ca -0.24 -1.87 -0.54 0.00 0.82 0.00 0.00 66.70 64.88 1ajp h VAL 56 Cb 1.08 2.09 -0.38 0.00 -1.52 0.00 0.00 31.29 32.56 1ajp h VAL 56 CO 0.96 0.48 -0.79 -0.36 0.02 0.00 0.00 177.57 177.88 1ajp s PHE 57 N -3.51 1.55 -2.54 1.57 0.08 -1.00 -4.11 117.98 110.02 1ajp s PHE 57 Ca 0.00 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1ajp s PHE 57 Cb 0.11 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 1ajp s PHE 57 CO 0.72 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 175.67 1ajp n GLY 58 N 4.92 -0.56 3.55 4.36 0.00 -1.20 -0.87 105.19 115.38 1ajp n GLY 58 Ca -0.11 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1ajp n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ajp s HIS 59 N -3.00 0.05 -0.11 1.61 -3.43 -0.69 -2.39 115.29 107.33 1ajp s HIS 59 Ca 0.00 -0.41 0.16 0.00 -0.80 0.00 0.00 55.06 54.02 1ajp s HIS 59 Cb 0.00 0.32 0.25 0.00 -1.43 0.00 0.00 32.58 31.72 1ajp s HIS 59 CO 0.00 -0.94 1.13 0.27 -2.00 0.00 0.00 174.74 173.20 1ajp n ASN 60 N -0.35 2.10 0.00 7.38 0.23 -0.84 -2.07 115.26 121.72 1ajp n ASN 60 Ca -0.07 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 1ajp n ASN 60 Cb 0.62 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1ajp n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ajp n GLY 61 N -1.26 2.59 0.64 4.83 0.00 -1.26 -4.68 105.19 106.06 1ajp n GLY 61 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ajp n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ajp n VAL 62 N -2.00 0.00 -4.54 1.61 0.31 -1.26 -4.85 118.33 107.60 1ajp n VAL 62 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1ajp n VAL 62 Cb 0.00 -1.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.76 1ajp n VAL 62 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ajp s ILE 63 N -1.98 2.11 0.04 2.52 -4.36 -1.26 -0.87 121.20 117.40 1ajp s ILE 63 Ca 0.00 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1ajp s ILE 63 Cb 0.00 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1ajp s ILE 63 CO 0.00 -0.05 0.03 -0.94 0.24 0.00 0.00 174.94 174.22 1ajp s SER 64 N -3.71 0.29 0.12 4.36 1.04 0.24 -1.98 113.70 114.05 1ajp s SER 64 Ca 0.35 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 1ajp s SER 64 Cb 0.07 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1ajp s SER 64 CO 0.18 -0.49 0.05 -1.66 0.98 0.00 0.00 173.24 172.30 1ajp s TRP 65 N -2.74 0.76 0.18 5.02 -2.14 -1.00 -1.44 118.94 117.58 1ajp s TRP 65 Ca -0.04 -1.17 -0.22 0.00 2.66 0.00 0.00 56.10 57.32 1ajp s TRP 65 Cb -0.00 -0.44 0.07 0.00 -3.10 0.00 0.00 33.47 30.00 1ajp s TRP 65 CO -0.05 -0.50 1.02 0.20 -2.66 0.00 0.00 176.95 174.96 1ajp s GLY 66 N -3.02 0.06 0.08 3.67 0.00 -1.05 -3.27 107.32 103.79 1ajp s GLY 66 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.63 1ajp s GLY 66 CO -0.01 1.89 0.06 -0.56 0.00 0.00 0.00 173.10 174.48 1ajp s SER 67 N -3.31 0.33 0.03 1.64 0.01 -1.26 -1.48 113.70 109.66 1ajp s SER 67 Ca 0.20 -0.93 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 1ajp s SER 67 Cb -0.02 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 1ajp s SER 67 CO 0.05 -0.67 0.10 0.42 0.41 0.00 0.00 173.24 173.55 1ajp s THR 68 N -3.93 0.13 0.31 1.44 -4.23 -0.87 -4.72 115.64 103.77 1ajp s THR 68 Ca 0.10 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.27 1ajp s THR 68 Cb 0.07 -0.84 -0.12 0.00 1.34 0.00 0.00 72.50 72.95 1ajp s THR 68 CO -0.08 -0.57 1.51 0.00 -0.54 0.00 0.00 174.62 174.93 1ajp n ALA 69 N 0.84 2.16 0.07 3.99 0.00 -1.26 -0.69 120.51 125.63 1ajp n ALA 69 Ca -0.19 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 1ajp n ALA 69 Cb 0.58 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.48 1ajp n ALA 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ajp h GLY 70 N 3.95 0.44 -6.20 0.00 0.00 -1.51 -3.41 103.07 96.35 1ajp h GLY 70 Ca -0.48 -1.12 -0.45 0.00 0.00 0.00 0.00 47.33 45.28 1ajp h GLY 70 CO 0.73 0.98 -0.78 0.69 0.00 0.00 0.00 176.54 178.16 1ajp n PHE 71 N -3.79 -2.22 -2.11 5.60 3.72 -1.25 -4.92 117.46 112.49 1ajp n PHE 71 Ca -0.21 0.89 -0.27 0.00 -0.05 0.00 0.00 57.45 57.81 1ajp n PHE 71 Cb 1.00 -4.20 0.08 0.00 -0.94 0.00 0.00 39.48 35.42 1ajp n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ajp s GLY 72 N -3.67 1.67 -0.54 1.37 0.00 -1.26 -1.07 107.32 103.83 1ajp s GLY 72 Ca 0.44 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 1ajp s GLY 72 CO 0.82 -0.44 0.70 -0.35 0.00 0.00 0.00 173.10 173.83 1ajp s ASP 73 N -4.57 6.23 -0.07 1.64 -1.08 -1.26 -4.04 116.67 113.52 1ajp s ASP 73 Ca 0.62 -0.95 0.10 0.00 -0.52 0.00 0.00 52.55 51.80 1ajp s ASP 73 Cb -0.10 -2.32 0.16 0.00 -1.46 0.00 0.00 42.92 39.20 1ajp s ASP 73 CO 0.46 -1.01 1.05 -0.90 0.52 0.00 0.00 175.17 175.29 1ajp n ASP 74 N 6.46 1.75 -3.85 -0.34 5.68 -1.26 -4.74 116.55 120.25 1ajp n ASP 74 Ca -0.06 -2.53 -0.22 0.00 -0.50 0.00 0.00 54.79 51.48 1ajp n ASP 74 Cb 0.45 -0.27 -0.17 0.00 -1.14 0.00 0.00 41.12 39.99 1ajp n ASP 74 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ajp s VAL 75 N -1.81 0.54 0.23 2.12 1.01 -1.26 -1.60 120.40 119.63 1ajp s VAL 75 Ca 0.18 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1ajp s VAL 75 Cb 0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1ajp s VAL 75 CO 0.02 0.26 -0.17 -1.81 0.00 0.00 0.00 175.10 173.39 1ajp s ASP 76 N 1.39 3.00 -0.14 3.32 1.01 -0.73 -4.93 116.67 119.60 1ajp s ASP 76 Ca -0.03 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.20 1ajp s ASP 76 Cb -0.13 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1ajp s ASP 76 CO -0.03 -0.07 -0.06 -0.63 0.21 0.00 0.00 175.17 174.59 1ajp s ILE 77 N -2.68 3.70 -0.19 0.77 -1.09 -1.26 -1.01 121.20 119.44 1ajp s ILE 77 Ca 0.25 -0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1ajp s ILE 77 Cb -0.03 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1ajp s ILE 77 CO 0.10 0.51 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.88 1ajp s PHE 78 N 0.20 2.89 -0.57 3.97 0.40 0.20 -1.72 117.98 123.36 1ajp s PHE 78 Ca -0.03 -0.92 -0.25 0.00 -0.60 0.00 0.00 56.93 55.12 1ajp s PHE 78 Cb -0.14 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.43 1ajp s PHE 78 CO 0.03 -0.46 1.02 0.00 0.70 0.00 0.00 175.22 176.52 1ajp s ALA 79 N 1.08 3.10 -0.04 5.36 0.00 0.39 -0.80 121.76 130.86 1ajp s ALA 79 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.62 1ajp s ALA 79 Cb -0.15 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 1ajp s ALA 79 CO -0.02 -2.51 0.56 -1.21 0.00 0.00 0.00 175.76 172.58 1ajp s GLU 80 N 4.30 4.30 -0.68 0.00 0.41 0.26 0.11 118.70 127.39 1ajp s GLU 80 Ca 0.34 0.64 -0.27 0.00 -0.41 0.00 0.00 54.97 55.27 1ajp s GLU 80 Cb -0.11 -3.36 0.03 0.00 -1.78 0.00 0.00 34.13 28.90 1ajp s GLU 80 CO 0.20 0.32 1.29 0.50 -0.49 0.00 0.00 175.26 177.08 1ajp s ARG 81 N 0.01 3.26 0.69 1.61 3.52 -1.26 -1.01 118.95 125.77 1ajp s ARG 81 Ca 0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.85 1ajp s ARG 81 Cb -0.17 -4.14 0.09 0.00 -1.56 0.00 0.00 34.95 29.17 1ajp s ARG 81 CO 0.15 -2.04 0.96 -0.51 -0.81 0.00 0.00 175.30 173.05 1ajp s LEU 82 N 5.70 3.02 -0.05 -0.88 1.43 0.07 -2.31 118.68 125.66 1ajp s LEU 82 Ca 0.40 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1ajp s LEU 82 Cb -0.08 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1ajp s LEU 82 CO 0.19 -1.67 -0.06 -0.55 0.23 0.00 0.00 176.35 174.48 1ajp s SER 83 N -4.62 1.23 0.46 2.29 0.15 -1.26 -4.90 113.70 107.04 1ajp s SER 83 Ca 0.63 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.25 1ajp s SER 83 Cb -0.07 -0.54 1.09 0.00 -1.71 0.00 0.00 66.02 64.78 1ajp s SER 83 CO 0.43 -0.05 2.04 0.00 1.20 0.00 0.00 173.24 176.86 1ajp h ALA 84 N 7.29 1.99 -3.53 5.45 0.00 -1.98 -3.32 119.26 125.16 1ajp h ALA 84 Ca -0.35 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.87 1ajp h ALA 84 Cb 1.16 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 1ajp h ALA 84 CO 0.45 -0.07 -0.67 -1.21 0.00 0.00 0.00 179.25 177.75 1ajp s GLU 85 N -5.30 2.93 -0.15 0.00 2.02 -1.26 -4.68 118.70 112.27 1ajp s GLU 85 Ca -0.07 -0.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 1ajp s GLU 85 Cb 0.18 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 1ajp s GLU 85 CO 0.72 0.62 0.12 0.36 0.02 0.00 0.00 175.26 177.11 1ajp n LYS 86 N 2.37 -0.78 -2.53 1.61 2.85 -1.26 -5.03 118.16 115.39 1ajp n LYS 86 Ca -0.18 0.10 -0.38 0.00 -1.05 0.00 0.00 58.31 56.80 1ajp n LYS 86 Cb 0.53 -2.86 -0.04 0.00 -0.65 0.00 0.00 35.03 32.01 1ajp n LYS 86 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ajp s PRO 87 N -4.11 4.36 0.00 -1.58 0.04 -1.25 -2.98 135.00 129.48 1ajp s PRO 87 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ajp s PRO 87 Cb -0.00 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1ajp s PRO 87 CO 0.09 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1ajp n GLY 88 N 0.69 0.76 3.49 0.56 0.00 -1.26 -5.05 105.19 104.36 1ajp n GLY 88 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1ajp n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ajp s TYR 89 N -2.20 2.26 0.01 1.61 1.51 -1.16 -1.07 117.35 118.32 1ajp s TYR 89 Ca 0.00 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 1ajp s TYR 89 Cb 0.00 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1ajp s TYR 89 CO 0.00 0.61 0.34 1.52 -1.11 0.00 0.00 175.55 176.91 1ajp s TYR 90 N -2.62 -0.19 -0.06 2.71 1.13 0.12 -4.36 117.35 114.09 1ajp s TYR 90 Ca 0.30 0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 55.86 1ajp s TYR 90 Cb -0.01 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 1ajp s TYR 90 CO 0.15 -0.46 1.14 -1.17 -2.51 0.00 0.00 175.55 172.70 1ajp s LEU 91 N -1.66 4.28 -0.11 -3.49 2.96 -0.98 -0.60 118.68 119.08 1ajp s LEU 91 Ca -0.09 1.75 -0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1ajp s LEU 91 Cb -0.03 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.15 1ajp s LEU 91 CO 0.01 -0.53 0.25 -2.28 -1.32 0.00 0.00 176.35 172.48 1ajp s HIS 92 N 2.03 -0.36 -1.35 5.38 5.65 -0.71 -4.33 115.29 121.60 1ajp s HIS 92 Ca 0.54 0.85 -0.16 0.00 0.25 0.00 0.00 55.06 56.54 1ajp s HIS 92 Cb -0.23 0.00 0.02 0.00 -1.18 0.00 0.00 32.58 31.19 1ajp s HIS 92 CO 0.22 -0.28 0.42 0.09 -0.65 0.00 0.00 174.74 174.53 1ajp n ASN 93 N 4.69 -1.90 0.00 9.88 5.03 -0.43 -2.34 115.26 130.19 1ajp n ASN 93 Ca -0.17 -1.22 0.00 0.00 0.87 0.00 0.00 54.58 54.06 1ajp n ASN 93 Cb 0.52 -2.05 0.00 0.00 -1.02 0.00 0.00 39.78 37.23 1ajp n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ajp n GLY 94 N -2.21 0.47 3.16 7.41 0.00 -1.26 -5.02 105.19 107.74 1ajp n GLY 94 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1ajp n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajp s LYS 95 N -0.38 0.81 -0.60 1.61 -2.85 -0.99 -5.11 119.74 112.23 1ajp s LYS 95 Ca 0.00 -1.33 -0.21 0.00 -1.00 0.00 0.00 55.97 53.43 1ajp s LYS 95 Cb 0.00 -0.13 0.08 0.00 -2.06 0.00 0.00 37.83 35.72 1ajp s LYS 95 CO 0.00 -0.04 0.81 -1.58 0.10 0.00 0.00 175.35 174.63 1ajp s TRP 96 N -3.69 2.87 0.13 1.78 0.52 -1.26 -1.73 118.94 117.56 1ajp s TRP 96 Ca 0.12 -0.66 -0.21 0.00 0.02 0.00 0.00 56.10 55.37 1ajp s TRP 96 Cb 0.06 -4.05 -0.07 0.00 -1.15 0.00 0.00 33.47 28.26 1ajp s TRP 96 CO -0.05 -1.39 0.66 0.08 0.02 0.00 0.00 176.95 176.27 1ajp s VAL 97 N 3.30 4.60 0.24 4.03 1.01 0.23 -4.77 120.40 129.05 1ajp s VAL 97 Ca 0.18 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1ajp s VAL 97 Cb -0.20 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ajp s VAL 97 CO 0.10 0.47 0.78 -0.75 0.00 0.00 0.00 175.10 175.70 1ajp s LYS 98 N -1.33 4.38 0.42 2.72 2.20 -1.26 0.16 119.74 127.03 1ajp s LYS 98 Ca 0.34 1.02 -0.22 0.00 -0.36 0.00 0.00 55.97 56.75 1ajp s LYS 98 Cb -0.20 -2.92 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 1ajp s LYS 98 CO 0.22 0.39 0.98 -1.64 -0.36 0.00 0.00 175.35 174.94 1ajp s MET 99 N -1.87 4.19 0.47 4.03 -1.94 -0.23 -4.93 119.30 119.02 1ajp s MET 99 Ca 0.44 1.25 -0.22 0.00 -1.71 0.00 0.00 55.69 55.45 1ajp s MET 99 Cb -0.18 -2.30 -0.07 0.00 2.01 0.00 0.00 34.83 34.28 1ajp s MET 99 CO 0.22 -0.08 1.11 -0.51 -0.01 0.00 0.00 175.02 175.76 1ajp s LEU 100 N -3.00 3.94 -0.02 -0.03 1.43 -0.45 -4.93 118.68 115.63 1ajp s LEU 100 Ca 0.61 2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 55.64 1ajp s LEU 100 Cb -0.14 -4.37 0.05 0.00 0.03 0.00 0.00 46.19 41.76 1ajp s LEU 100 CO 0.18 -0.89 0.49 -0.94 0.23 0.00 0.00 176.35 175.43 1ajp s SER 101 N -1.61 -0.42 0.02 2.29 1.04 -1.26 -2.23 113.70 111.54 1ajp s SER 101 Ca 0.65 0.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.37 1ajp s SER 101 Cb -0.24 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1ajp s SER 101 CO 0.29 -0.57 0.12 0.00 0.98 0.00 0.00 173.24 174.06 1ajp s ARG 102 N -1.51 0.54 -0.09 4.02 1.70 -0.89 -4.99 118.95 117.73 1ajp s ARG 102 Ca -0.11 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 54.54 1ajp s ARG 102 Cb -0.02 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1ajp s ARG 102 CO 0.05 -0.13 0.01 -1.21 -1.08 0.00 0.00 175.30 172.94 1ajp s GLU 103 N -2.05 3.04 0.06 3.89 2.02 -1.26 -1.76 118.70 122.63 1ajp s GLU 103 Ca -0.10 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.57 1ajp s GLU 103 Cb -0.04 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1ajp s GLU 103 CO -0.02 0.68 -0.20 -1.21 0.02 0.00 0.00 175.26 174.53 1ajp s GLU 104 N -0.83 1.29 -0.09 1.61 0.41 0.50 -4.99 118.70 116.59 1ajp s GLU 104 Ca 0.13 -0.98 0.02 0.00 -0.41 0.00 0.00 54.97 53.73 1ajp s GLU 104 Cb -0.11 -1.43 0.01 0.00 -1.78 0.00 0.00 34.13 30.81 1ajp s GLU 104 CO 0.02 0.36 -0.17 0.99 -0.49 0.00 0.00 175.26 175.97 1ajp s THR 105 N -0.90 1.54 -0.34 3.63 2.01 -1.26 -1.97 115.64 118.36 1ajp s THR 105 Ca 0.07 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1ajp s THR 105 Cb -0.09 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1ajp s THR 105 CO 0.02 0.45 0.26 -0.63 -0.69 0.00 0.00 174.62 174.04 1ajp s ILE 106 N 0.73 5.26 0.33 1.82 -1.09 0.48 -4.93 121.20 123.80 1ajp s ILE 106 Ca -0.12 -0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 57.89 1ajp s ILE 106 Cb -0.16 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 36.88 1ajp s ILE 106 CO 0.02 -0.03 0.89 -0.89 -1.23 0.00 0.00 174.94 173.70 1ajp s THR 107 N 1.77 4.36 -0.14 2.92 2.01 -1.26 -0.92 115.64 124.38 1ajp s THR 107 Ca 0.07 1.58 -0.00 0.00 0.31 0.00 0.00 61.69 63.65 1ajp s THR 107 Cb -0.17 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.51 1ajp s THR 107 CO 0.11 0.03 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.29 1ajp s VAL 108 N -1.75 1.25 0.23 3.82 1.01 -1.26 -4.96 120.40 118.73 1ajp s VAL 108 Ca 0.52 -0.52 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 1ajp s VAL 108 Cb -0.15 -1.27 -0.12 0.00 0.00 0.00 0.00 36.38 34.83 1ajp s VAL 108 CO 0.20 0.32 1.60 1.17 0.00 0.00 0.00 175.10 178.40 1ajp n LYS 109 N 4.86 2.51 -3.59 2.72 3.00 -1.26 -1.98 118.16 124.41 1ajp n LYS 109 Ca -0.14 0.90 -0.27 0.00 -0.00 0.00 0.00 58.31 58.81 1ajp n LYS 109 Cb 0.49 -2.68 0.03 0.00 0.00 0.00 0.00 35.03 32.87 1ajp n LYS 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ajp n ASN 110 N 2.99 -5.14 -1.47 3.14 5.03 -1.26 -4.94 115.26 113.61 1ajp n ASN 110 Ca 0.13 -0.58 -0.03 0.00 0.87 0.00 0.00 54.58 54.97 1ajp n ASN 110 Cb 0.34 -4.12 -0.00 0.00 -1.02 0.00 0.00 39.78 34.97 1ajp n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ajp n GLY 111 N -1.62 2.47 3.85 7.41 0.00 -0.84 -5.17 105.19 111.29 1ajp n GLY 111 Ca -0.00 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1ajp n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ajp s GLN 112 N -2.13 3.98 0.44 1.61 0.74 -1.26 -4.62 119.66 118.42 1ajp s GLN 112 Ca 0.06 0.52 -0.21 0.00 0.05 0.00 0.00 55.36 55.78 1ajp s GLN 112 Cb -0.01 -2.78 -0.10 0.00 1.10 0.00 0.00 33.01 31.22 1ajp s GLN 112 CO 0.04 0.38 1.00 0.00 -0.55 0.00 0.00 175.29 176.16 1ajp s ALA 113 N -1.63 2.98 -0.04 1.58 0.00 -1.26 -4.54 121.76 118.85 1ajp s ALA 113 Ca 0.43 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1ajp s ALA 113 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1ajp s ALA 113 CO 0.20 -0.08 -0.21 -1.21 0.00 0.00 0.00 175.76 174.45 1ajp s GLU 114 N -3.08 2.06 -0.00 0.00 2.02 -0.09 -4.91 118.70 114.69 1ajp s GLU 114 Ca 0.63 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.90 1ajp s GLU 114 Cb -0.14 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1ajp s GLU 114 CO 0.18 0.36 -0.16 0.95 0.02 0.00 0.00 175.26 176.61 1ajp s THR 115 N -0.20 1.27 0.14 3.63 -4.23 -1.26 0.18 115.64 115.18 1ajp s THR 115 Ca -0.00 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 1ajp s THR 115 Cb -0.11 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1ajp s THR 115 CO 0.02 0.29 0.31 0.72 -0.54 0.00 0.00 174.62 175.42 1ajp s PHE 116 N -0.47 0.18 0.01 3.99 -0.71 -0.83 -4.97 117.98 115.17 1ajp s PHE 116 Ca 0.06 -0.56 0.04 0.00 -1.04 0.00 0.00 56.93 55.43 1ajp s PHE 116 Cb -0.07 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1ajp s PHE 116 CO -0.00 -0.70 -0.09 0.99 -1.34 0.00 0.00 175.22 174.08 1ajp s THR 117 N -3.91 3.45 -0.11 -4.49 2.01 -1.26 -0.37 115.64 110.97 1ajp s THR 117 Ca 0.11 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1ajp s THR 117 Cb 0.03 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1ajp s THR 117 CO -0.05 0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.53 1ajp s VAL 118 N -0.96 3.71 0.06 3.82 1.01 -0.72 -4.97 120.40 122.34 1ajp s VAL 118 Ca 0.16 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1ajp s VAL 118 Cb -0.11 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1ajp s VAL 118 CO 0.07 0.55 -0.12 0.26 0.00 0.00 0.00 175.10 175.86 1ajp s TRP 119 N -0.22 2.72 -0.06 5.22 0.52 -1.26 -2.10 118.94 123.76 1ajp s TRP 119 Ca 0.03 -0.16 -0.09 0.00 0.02 0.00 0.00 56.10 55.90 1ajp s TRP 119 Cb -0.13 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.73 1ajp s TRP 119 CO 0.03 0.36 0.24 0.50 0.02 0.00 0.00 176.95 178.09 1ajp s ARG 120 N -1.78 0.40 0.18 4.98 3.52 -0.95 -1.06 118.95 124.24 1ajp s ARG 120 Ca 0.18 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1ajp s ARG 120 Cb -0.11 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1ajp s ARG 120 CO 0.09 -0.08 0.01 0.25 -0.81 0.00 0.00 175.30 174.77 1ajp n THR 121 N 2.35 0.00 0.32 4.11 -2.24 -0.74 -1.34 114.28 116.74 1ajp n THR 121 Ca -0.16 -0.87 0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1ajp n THR 121 Cb 0.57 0.19 1.06 0.00 -2.10 0.00 0.00 70.33 70.06 1ajp n THR 121 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ajp h VAL 122 N 1.11 0.19 0.00 2.28 3.04 -2.00 -2.24 116.25 118.63 1ajp h VAL 122 Ca -0.15 -0.09 -0.19 0.00 -1.01 0.00 0.00 66.70 65.27 1ajp h VAL 122 Cb 0.46 1.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1ajp h VAL 122 CO 0.24 0.01 -1.39 0.45 -1.01 0.00 0.00 177.57 175.88 1ajp h HIS 123 N 0.00 0.00 0.00 3.17 3.86 -1.94 -3.51 115.15 116.73 1ajp h HIS 123 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ajp h HIS 123 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1ajp h HIS 123 CO 0.00 0.66 0.00 0.41 0.86 0.00 0.00 177.93 179.86 1ajp n GLY 124 N 1.41 0.23 3.74 2.45 0.00 -0.84 -3.74 105.19 108.43 1ajp n GLY 124 Ca -0.10 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1ajp n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ajp s ASN 125 N -4.00 4.86 -0.29 1.61 -0.87 -1.26 -1.79 114.94 113.20 1ajp s ASN 125 Ca 0.00 2.38 -0.24 0.00 -1.57 0.00 0.00 52.86 53.42 1ajp s ASN 125 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1ajp s ASN 125 CO 0.00 -1.81 0.84 -0.63 -2.57 0.00 0.00 177.10 172.92 1ajp s ILE 126 N -1.73 4.77 -0.05 0.60 -1.09 -0.22 -1.41 121.20 122.06 1ajp s ILE 126 Ca 0.76 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 60.34 1ajp s ILE 126 Cb -0.30 -4.17 -0.15 0.00 -1.58 0.00 0.00 42.46 36.25 1ajp s ILE 126 CO 0.38 -0.23 0.84 -0.07 -1.23 0.00 0.00 174.94 174.62 1ajp h LEU 127 N 9.46 -0.18 -7.17 2.97 3.38 -0.80 -3.46 115.31 119.51 1ajp h LEU 127 Ca -0.23 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1ajp h LEU 127 Cb 1.09 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 1ajp h LEU 127 CO 0.90 0.38 0.07 0.00 0.09 0.00 0.00 178.44 179.88 1ajp s GLN 128 N -3.32 1.09 0.00 1.13 -2.07 -1.24 -5.00 119.66 110.25 1ajp s GLN 128 Ca -0.12 -0.31 0.04 0.00 -1.82 0.00 0.00 55.36 53.15 1ajp s GLN 128 Cb 0.00 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1ajp s GLN 128 CO 0.46 -0.41 -0.13 0.95 -1.32 0.00 0.00 175.29 174.83 1ajp s THR 129 N -2.79 1.05 -0.48 3.63 -4.23 -1.26 0.12 115.64 111.68 1ajp s THR 129 Ca -0.03 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.73 1ajp s THR 129 Cb -0.00 -0.90 0.12 0.00 1.34 0.00 0.00 72.50 73.06 1ajp s THR 129 CO -0.04 0.21 0.33 -0.62 -0.54 0.00 0.00 174.62 173.95 1ajp s ASP 130 N -0.54 5.58 0.42 3.99 2.15 0.27 -4.94 116.67 123.60 1ajp s ASP 130 Ca 0.04 -2.04 0.16 0.00 0.43 0.00 0.00 52.55 51.14 1ajp s ASP 130 Cb -0.06 -1.96 0.94 0.00 -0.30 0.00 0.00 42.92 41.54 1ajp s ASP 130 CO -0.00 -0.63 1.92 1.56 -0.17 0.00 0.00 175.17 177.85 1ajp h GLN 131 N 8.22 0.00 -0.15 4.34 4.20 -1.96 0.48 115.11 130.24 1ajp h GLN 131 Ca -0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1ajp h GLN 131 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1ajp h GLN 131 CO 0.80 0.27 0.09 1.79 -0.67 0.00 0.00 178.83 181.11 1ajp h THR 132 N 0.00 1.07 0.00 -0.54 1.35 -1.94 -3.12 112.91 109.72 1ajp h THR 132 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1ajp h THR 132 Cb 0.50 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1ajp h THR 132 CO 0.03 0.07 -0.65 0.35 -0.25 0.00 0.00 175.52 175.07 1ajp n THR 133 N -4.96 0.16 -3.15 6.82 -2.24 -0.97 -4.95 114.28 104.98 1ajp n THR 133 Ca -0.04 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1ajp n THR 133 Cb 0.05 0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.47 1ajp n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajp n GLN 134 N -1.81 -5.34 -4.66 -0.78 1.13 0.16 -4.89 117.38 101.18 1ajp n GLN 134 Ca 0.04 0.68 -0.28 0.00 -1.94 0.00 0.00 57.00 55.50 1ajp n GLN 134 Cb 0.39 -5.21 -0.14 0.00 0.11 0.00 0.00 30.24 25.40 1ajp n GLN 134 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ajp s THR 135 N -3.29 1.97 -0.02 5.09 2.01 -0.52 -0.75 115.64 120.14 1ajp s THR 135 Ca 0.01 -1.41 0.04 0.00 0.31 0.00 0.00 61.69 60.63 1ajp s THR 135 Cb -0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1ajp s THR 135 CO 0.59 0.22 -0.12 0.00 -0.69 0.00 0.00 174.62 174.61 1ajp s ALA 136 N -0.89 1.06 -0.15 7.40 0.00 -0.18 0.93 121.76 129.93 1ajp s ALA 136 Ca 0.10 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1ajp s ALA 136 Cb -0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1ajp s ALA 136 CO 0.03 0.24 0.19 0.71 0.00 0.00 0.00 175.76 176.92 1ajp s TYR 137 N -0.17 3.50 -0.12 0.00 2.02 0.32 0.90 117.35 123.80 1ajp s TYR 137 Ca 0.03 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.23 1ajp s TYR 137 Cb -0.06 -2.14 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1ajp s TYR 137 CO -0.00 0.43 -0.17 0.00 -1.57 0.00 0.00 175.55 174.25 1ajp s ALA 138 N -0.12 2.46 -0.23 3.71 0.00 0.02 -0.03 121.76 127.57 1ajp s ALA 138 Ca 0.13 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1ajp s ALA 138 Cb -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1ajp s ALA 138 CO 0.02 0.27 0.82 0.21 0.00 0.00 0.00 175.76 177.08 1ajp s LYS 139 N 0.34 4.20 -0.25 0.00 2.20 -0.50 -0.62 119.74 125.10 1ajp s LYS 139 Ca -0.14 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 1ajp s LYS 139 Cb -0.17 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1ajp s LYS 139 CO 0.07 -0.48 -0.03 0.45 -0.36 0.00 0.00 175.35 175.00 1ajp s SER 140 N 1.31 4.48 -0.08 1.43 0.15 -0.18 -4.03 113.70 116.79 1ajp s SER 140 Ca 0.35 -0.72 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 1ajp s SER 140 Cb -0.15 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 1ajp s SER 140 CO 0.08 -0.12 0.29 -0.13 1.20 0.00 0.00 173.24 174.57 1ajp s ARG 141 N 1.40 3.85 0.51 5.44 0.52 -1.26 -1.76 118.95 127.65 1ajp s ARG 141 Ca 0.02 0.16 0.28 0.00 -0.52 0.00 0.00 55.73 55.67 1ajp s ARG 141 Cb -0.16 -3.26 1.35 0.00 0.52 0.00 0.00 34.95 33.40 1ajp s ARG 141 CO -0.03 0.60 2.01 0.00 0.02 0.00 0.00 175.30 177.91 1ajp h ALA 142 N 5.30 1.15 -0.04 2.13 0.00 -1.59 -2.73 119.26 123.48 1ajp h ALA 142 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ajp h ALA 142 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ajp h ALA 142 CO 0.64 0.16 0.00 -2.67 0.00 0.00 0.00 179.25 177.38 1ajp n TRP 143 N -3.46 0.02 -1.66 0.00 4.27 -1.26 -4.86 117.44 110.48 1ajp n TRP 143 Ca -0.01 -0.01 -0.48 0.00 -3.89 0.00 0.00 57.50 53.10 1ajp n TRP 143 Cb 0.29 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.19 1ajp n TRP 143 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1ajp n ASP 144 N 0.71 2.93 0.00 -0.67 2.03 -1.03 -1.55 116.55 118.97 1ajp n ASP 144 Ca 0.17 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.54 1ajp n ASP 144 Cb 0.46 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1ajp n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ajp n GLY 145 N 3.60 0.68 0.13 0.27 0.00 -1.26 -4.89 105.19 103.72 1ajp n GLY 145 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1ajp n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ajp n LYS 146 N -2.01 0.64 0.02 1.61 5.02 -0.60 -4.83 118.16 118.02 1ajp n LYS 146 Ca 0.00 -0.99 -0.10 0.00 -2.02 0.00 0.00 58.31 55.20 1ajp n LYS 146 Cb 0.00 -0.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1ajp n LYS 146 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1ajp h GLU 147 N 0.00 -0.23 -0.39 1.97 3.07 -1.91 -1.46 114.58 115.64 1ajp h GLU 147 Ca 0.00 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1ajp h GLU 147 Cb 1.02 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1ajp h GLU 147 CO 0.00 -0.15 -0.03 0.28 -1.40 0.00 0.00 179.01 177.71 1ajp h VAL 148 N -0.24 1.27 0.00 3.13 2.07 -1.95 -1.35 116.25 119.18 1ajp h VAL 148 Ca 0.08 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1ajp h VAL 148 Cb 0.34 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ajp h VAL 148 CO -0.21 0.36 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1ajp h ALA 149 N 0.86 1.60 -0.15 1.67 0.00 -1.87 -1.78 119.26 119.59 1ajp h ALA 149 Ca 0.11 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1ajp h ALA 149 Cb 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ajp h ALA 149 CO 0.03 0.10 -0.55 0.77 0.00 0.00 0.00 179.25 179.60 1ajp h SER 150 N 0.00 0.74 -0.60 0.00 0.02 -0.14 -0.15 113.55 113.43 1ajp h SER 150 Ca -0.00 -0.61 0.10 0.00 -0.84 0.00 0.00 61.79 60.44 1ajp h SER 150 Cb 0.17 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.42 1ajp h SER 150 CO 0.01 1.22 0.19 0.25 -1.14 0.00 0.00 176.83 177.37 1ajp h LEU 151 N 0.30 0.15 -0.63 5.07 6.46 -1.24 -1.90 115.31 123.51 1ajp h LEU 151 Ca -0.03 0.09 -0.15 0.00 -0.12 0.00 0.00 57.88 57.68 1ajp h LEU 151 Cb 1.17 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1ajp h LEU 151 CO 0.12 0.09 -0.55 -0.07 -0.62 0.00 0.00 178.44 177.41 1ajp h LEU 152 N 0.36 0.43 -0.88 2.25 3.38 -1.24 -1.88 115.31 117.72 1ajp h LEU 152 Ca 0.31 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ajp h LEU 152 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1ajp h LEU 152 CO -0.33 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.27 1ajp h ALA 153 N 1.12 1.09 0.00 1.53 0.00 -0.44 -0.55 119.26 122.01 1ajp h ALA 153 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ajp h ALA 153 Cb 1.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ajp h ALA 153 CO 0.09 0.61 -0.13 2.35 0.00 0.00 0.00 179.25 182.17 1ajp h TRP 154 N 0.97 0.00 0.05 0.00 2.91 -0.90 -2.27 115.95 116.72 1ajp h TRP 154 Ca 0.21 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.12 1ajp h TRP 154 Cb 0.31 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1ajp h TRP 154 CO 0.02 0.13 -0.55 1.15 -1.03 0.00 0.00 178.44 178.16 1ajp h THR 155 N 0.00 1.52 -0.02 2.65 2.02 -1.02 -3.38 112.91 114.68 1ajp h THR 155 Ca -0.00 -2.39 -0.07 0.00 0.77 0.00 0.00 66.41 64.72 1ajp h THR 155 Cb 0.41 3.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1ajp h THR 155 CO 0.02 0.62 -0.32 0.45 0.37 0.00 0.00 175.52 176.65 1ajp h HIS 156 N -0.74 0.04 0.00 3.16 3.86 -1.02 -2.66 115.15 117.78 1ajp h HIS 156 Ca -0.12 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1ajp h HIS 156 Cb 1.31 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1ajp h HIS 156 CO 0.22 0.36 -0.04 -0.56 0.86 0.00 0.00 177.93 178.76 1ajp h GLN 157 N 0.03 0.00 0.00 2.45 -0.00 -1.58 -1.51 115.11 114.51 1ajp h GLN 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ajp h GLN 157 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 1ajp h GLN 157 CO 0.04 0.04 0.01 0.52 -0.00 0.00 0.00 178.83 179.45 1ajp h MET 158 N 0.00 0.00 0.00 0.06 0.00 -1.65 -1.87 114.93 111.47 1ajp h MET 158 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 1ajp h MET 158 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.70 1ajp h MET 158 CO 0.01 0.00 -0.80 1.63 0.00 0.00 0.00 176.91 177.74 1ajp n LYS 159 N -2.92 0.33 -1.61 1.72 5.02 -0.57 -4.80 118.16 115.34 1ajp n LYS 159 Ca -0.03 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.93 1ajp n LYS 159 Cb 0.07 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.44 1ajp n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajp n ALA 160 N -1.87 0.16 0.01 7.82 0.00 -0.70 -4.94 120.51 120.99 1ajp n ALA 160 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ajp n ALA 160 Cb 0.45 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ajp n ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ajp n LYS 161 N -0.41 1.00 -2.78 0.00 4.76 -1.26 -4.70 118.16 114.78 1ajp n LYS 161 Ca 0.11 -0.39 -0.06 0.00 -2.87 0.00 0.00 58.31 55.10 1ajp n LYS 161 Cb 0.44 -0.88 0.01 0.00 -1.84 0.00 0.00 35.03 32.76 1ajp n LYS 161 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1ajp n ASN 162 N -0.24 -1.32 -0.05 4.39 0.23 -1.26 -4.84 115.26 112.17 1ajp n ASN 162 Ca 0.00 -2.02 -0.12 0.00 -0.53 0.00 0.00 54.58 51.91 1ajp n ASN 162 Cb 0.01 2.22 -0.06 0.00 -2.08 0.00 0.00 39.78 39.87 1ajp n ASN 162 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1ajp h TRP 163 N 1.62 0.34 -0.19 -2.53 2.91 -1.98 0.11 115.95 116.22 1ajp h TRP 163 Ca -0.20 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 59.77 1ajp h TRP 163 Cb 0.76 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 1ajp h TRP 163 CO 0.00 0.58 0.02 1.96 -1.03 0.00 0.00 178.44 179.97 1ajp h GLN 164 N -0.00 0.09 -0.43 2.65 4.20 -1.99 0.26 115.11 119.89 1ajp h GLN 164 Ca 0.04 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1ajp h GLN 164 Cb 0.47 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ajp h GLN 164 CO 0.02 0.06 -0.16 1.96 -0.67 0.00 0.00 178.83 180.04 1ajp h GLN 165 N 0.10 0.81 -0.35 1.46 4.20 -1.93 -2.68 115.11 116.72 1ajp h GLN 165 Ca 0.09 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 1ajp h GLN 165 Cb 0.09 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ajp h GLN 165 CO -0.13 0.92 -0.15 2.35 -0.67 0.00 0.00 178.83 181.14 1ajp h TRP 166 N 0.72 0.69 0.00 2.96 7.01 0.04 -3.00 115.95 124.37 1ajp h TRP 166 Ca 0.11 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 1ajp h TRP 166 Cb 0.66 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1ajp h TRP 166 CO 0.04 0.75 -0.20 1.79 -2.79 0.00 0.00 178.44 178.02 1ajp h THR 167 N 0.57 0.41 -0.83 2.65 1.35 -0.29 -0.73 112.91 116.04 1ajp h THR 167 Ca 0.10 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1ajp h THR 167 Cb 0.59 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 1ajp h THR 167 CO 0.04 0.20 0.54 1.56 -0.25 0.00 0.00 175.52 177.60 1ajp h GLN 168 N 0.00 1.10 0.03 4.72 4.20 -1.34 0.75 115.11 124.57 1ajp h GLN 168 Ca -0.00 -0.07 -0.24 0.00 0.06 0.00 0.00 58.65 58.40 1ajp h GLN 168 Cb 0.92 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ajp h GLN 168 CO 0.03 0.74 -1.15 1.96 -0.67 0.00 0.00 178.83 179.74 1ajp h GLN 169 N 1.13 0.06 -0.61 1.46 1.08 -1.15 -3.25 115.11 113.84 1ajp h GLN 169 Ca 0.30 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1ajp h GLN 169 Cb -0.11 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1ajp h GLN 169 CO -0.06 1.00 0.19 0.00 -0.95 0.00 0.00 178.83 179.00 1ajp h ALA 170 N 0.89 1.19 0.00 3.87 0.00 -0.58 -1.66 119.26 122.97 1ajp h ALA 170 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ajp h ALA 170 Cb 1.85 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ajp h ALA 170 CO 0.14 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1ajp n ALA 171 N -2.45 1.06 0.73 0.00 0.00 0.19 -1.77 120.51 118.27 1ajp n ALA 171 Ca 0.05 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1ajp n ALA 171 Cb 0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 1ajp n ALA 171 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ajp n LYS 172 N -2.01 1.75 -2.73 0.00 5.02 -0.63 -4.88 118.16 114.67 1ajp n LYS 172 Ca -0.01 -0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 55.46 1ajp n LYS 172 Cb 0.03 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1ajp n LYS 172 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1ajp s GLN 173 N -2.21 4.33 0.00 1.97 -0.44 -0.73 -4.30 119.66 118.28 1ajp s GLN 173 Ca 0.10 1.27 0.19 0.00 -2.50 0.00 0.00 55.36 54.42 1ajp s GLN 173 Cb 0.13 -3.59 -0.06 0.00 -1.64 0.00 0.00 33.01 27.85 1ajp s GLN 173 CO 0.53 -0.44 0.93 0.00 0.50 0.00 0.00 175.29 176.81 1ajp n ALA 174 N 5.56 3.67 -1.87 1.58 0.00 -1.26 -2.97 120.51 125.22 1ajp n ALA 174 Ca 0.09 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 1ajp n ALA 174 Cb 0.48 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1ajp n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajp s LEU 175 N -2.44 3.61 -0.92 0.00 1.43 -1.26 -2.15 118.68 116.95 1ajp s LEU 175 Ca 0.14 1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 54.52 1ajp s LEU 175 Cb 0.15 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 1ajp s LEU 175 CO 0.57 -0.59 1.71 0.28 0.23 0.00 0.00 176.35 178.55 1ajp s THR 176 N -2.64 3.64 -0.02 5.49 -1.32 -1.26 -3.41 115.64 116.13 1ajp s THR 176 Ca 0.58 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1ajp s THR 176 Cb -0.10 -4.46 0.02 0.00 -1.51 0.00 0.00 72.50 66.45 1ajp s THR 176 CO 0.33 -1.38 0.01 -0.63 -2.21 0.00 0.00 174.62 170.74 1ajp s ILE 177 N 7.79 0.01 0.18 5.08 -1.09 -1.22 -1.33 121.20 130.61 1ajp s ILE 177 Ca 0.59 0.12 -0.27 0.00 -2.23 0.00 0.00 60.65 58.85 1ajp s ILE 177 Cb -0.04 -0.10 -0.08 0.00 -1.58 0.00 0.00 42.46 40.66 1ajp s ILE 177 CO -0.02 0.07 0.85 0.20 -1.23 0.00 0.00 174.94 174.81 1ajp s ASN 178 N 0.72 7.48 0.02 3.58 0.01 0.14 -0.57 114.94 126.32 1ajp s ASN 178 Ca -0.06 1.76 0.08 0.00 -0.71 0.00 0.00 52.86 53.92 1ajp s ASN 178 Cb -0.09 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 1ajp s ASN 178 CO -0.02 0.15 -0.23 0.26 -1.51 0.00 0.00 177.10 175.75 1ajp s TRP 179 N -0.97 2.05 0.05 2.20 0.52 0.10 -2.06 118.94 120.84 1ajp s TRP 179 Ca 0.39 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.16 1ajp s TRP 179 Cb -0.24 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1ajp s TRP 179 CO 0.28 0.06 -0.13 0.71 0.02 0.00 0.00 176.95 177.90 1ajp s TYR 180 N -0.71 1.09 0.01 -1.98 1.51 -0.55 -1.55 117.35 115.16 1ajp s TYR 180 Ca 0.09 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1ajp s TYR 180 Cb -0.09 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1ajp s TYR 180 CO 0.01 0.02 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.80 1ajp s TYR 181 N -1.08 1.77 0.06 2.71 6.14 -0.13 -2.53 117.35 124.29 1ajp s TYR 181 Ca -0.02 -0.35 -0.03 0.00 0.64 0.00 0.00 57.07 57.31 1ajp s TYR 181 Cb -0.09 -1.11 -0.03 0.00 0.42 0.00 0.00 41.96 41.16 1ajp s TYR 181 CO 0.01 0.02 0.03 0.00 0.64 0.00 0.00 175.55 176.25 1ajp s ALA 182 N -0.61 0.29 0.28 3.97 0.00 -0.52 -1.64 121.76 123.54 1ajp s ALA 182 Ca 0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ajp s ALA 182 Cb -0.08 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1ajp s ALA 182 CO 0.00 -0.39 0.29 0.16 0.00 0.00 0.00 175.76 175.83 1ajp s ASP 183 N -2.80 0.72 0.52 0.00 1.47 -0.80 -0.59 116.67 115.19 1ajp s ASP 183 Ca 0.05 -1.46 0.23 0.00 1.18 0.00 0.00 52.55 52.56 1ajp s ASP 183 Cb 0.06 0.52 1.40 0.00 -0.34 0.00 0.00 42.92 44.56 1ajp s ASP 183 CO -0.10 -1.04 2.10 -0.37 0.68 0.00 0.00 175.17 176.44 1ajp h VAL 184 N 2.32 0.75 -0.04 2.11 -1.51 -1.34 -1.28 116.25 117.26 1ajp h VAL 184 Ca -0.30 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1ajp h VAL 184 Cb 1.24 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1ajp h VAL 184 CO 0.43 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 177.46 1ajp n ASN 185 N -3.94 1.16 0.00 4.19 3.02 -1.26 -4.52 115.26 113.91 1ajp n ASN 185 Ca -0.02 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1ajp n ASN 185 Cb 0.19 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1ajp n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ajp n GLY 186 N 1.11 0.77 3.80 7.41 0.00 -0.48 -4.95 105.19 112.85 1ajp n GLY 186 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ajp n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ajp s ASN 187 N -2.06 6.43 0.03 1.61 0.01 -1.26 -3.03 114.94 116.66 1ajp s ASN 187 Ca 0.00 1.90 0.01 0.00 -0.71 0.00 0.00 52.86 54.06 1ajp s ASN 187 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1ajp s ASN 187 CO 0.00 -0.72 -0.04 0.27 -1.51 0.00 0.00 177.10 175.09 1ajp s ILE 188 N -2.00 0.23 0.20 0.60 -4.36 -1.26 -1.91 121.20 112.70 1ajp s ILE 188 Ca 0.66 -0.94 -0.18 0.00 -0.26 0.00 0.00 60.65 59.93 1ajp s ILE 188 Cb -0.16 -0.36 0.03 0.00 1.25 0.00 0.00 42.46 43.23 1ajp s ILE 188 CO 0.19 -0.46 0.53 -0.83 0.24 0.00 0.00 174.94 174.62 1ajp s GLY 189 N -1.47 -0.11 -0.04 6.27 0.00 -0.65 -0.07 107.32 111.25 1ajp s GLY 189 Ca -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 1ajp s GLY 189 CO -0.01 -0.24 0.15 -0.47 0.00 0.00 0.00 173.10 172.54 1ajp s TYR 190 N -3.87 -0.12 -0.03 1.90 5.04 -0.63 -0.95 117.35 118.69 1ajp s TYR 190 Ca 0.09 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 1ajp s TYR 190 Cb -0.01 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1ajp s TYR 190 CO -0.03 -0.13 0.04 0.08 -1.34 0.00 0.00 175.55 174.18 1ajp s VAL 191 N -0.25 -0.08 -0.74 3.14 1.01 -0.60 -1.65 120.40 121.24 1ajp s VAL 191 Ca -0.03 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 1ajp s VAL 191 Cb -0.03 -0.10 0.07 0.00 0.00 0.00 0.00 36.38 36.32 1ajp s VAL 191 CO 0.00 0.12 1.10 -2.28 0.00 0.00 0.00 175.10 174.04 1ajp s HIS 192 N 1.42 2.62 0.75 5.22 2.46 -0.19 -0.72 115.29 126.85 1ajp s HIS 192 Ca -0.05 -0.55 -0.11 0.00 0.47 0.00 0.00 55.06 54.82 1ajp s HIS 192 Cb -0.13 -4.41 0.04 0.00 -0.13 0.00 0.00 32.58 27.96 1ajp s HIS 192 CO -0.03 -1.76 1.12 0.95 -2.47 0.00 0.00 174.74 172.56 1ajp s THR 193 N 4.38 2.85 0.00 0.89 -4.23 0.26 -4.35 115.64 115.45 1ajp s THR 193 Ca 0.28 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1ajp s THR 193 Cb -0.12 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1ajp s THR 193 CO 0.08 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1ajp n GLY 194 N -3.12 3.15 3.70 3.99 0.00 -1.16 -3.42 105.19 108.33 1ajp n GLY 194 Ca 0.07 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 1ajp n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajp s ALA 195 N -2.19 3.48 -0.03 4.61 0.00 -0.91 -4.92 121.76 121.80 1ajp s ALA 195 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1ajp s ALA 195 Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1ajp s ALA 195 CO 0.00 -0.18 -0.18 0.71 0.00 0.00 0.00 175.76 176.10 1ajp s TYR 196 N 1.04 1.74 0.67 0.00 2.02 -1.26 -4.68 117.35 116.87 1ajp s TYR 196 Ca 0.27 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.39 1ajp s TYR 196 Cb -0.16 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1ajp s TYR 196 CO 0.11 -0.10 1.28 -1.25 -1.57 0.00 0.00 175.55 174.03 1ajp s PRO 197 N -0.22 2.39 -0.67 -1.71 0.04 -1.26 -0.98 135.00 132.59 1ajp s PRO 197 Ca 0.02 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 1ajp s PRO 197 Cb -0.09 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.79 1ajp s PRO 197 CO 0.01 -1.71 0.56 0.34 0.04 0.00 0.00 177.00 176.23 1ajp s ASP 198 N -1.50 5.99 0.41 6.66 -1.08 -0.14 -4.46 116.67 122.54 1ajp s ASP 198 Ca 0.81 -2.55 -0.15 0.00 -0.52 0.00 0.00 52.55 50.15 1ajp s ASP 198 Cb -0.36 -2.05 -0.08 0.00 -1.46 0.00 0.00 42.92 38.97 1ajp s ASP 198 CO 0.42 -0.54 0.83 -0.13 0.52 0.00 0.00 175.17 176.26 1ajp s ARG 199 N 0.40 3.95 0.56 4.34 0.52 -1.26 -0.93 118.95 126.53 1ajp s ARG 199 Ca 0.14 0.73 -0.21 0.00 -0.52 0.00 0.00 55.73 55.88 1ajp s ARG 199 Cb -0.18 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1ajp s ARG 199 CO -0.05 -0.02 1.29 -0.65 0.02 0.00 0.00 175.30 175.89 1ajp s GLN 200 N -3.52 3.10 0.25 3.54 -1.52 -1.26 -4.87 119.66 115.37 1ajp s GLN 200 Ca 0.55 2.06 -0.31 0.00 -1.95 0.00 0.00 55.36 55.71 1ajp s GLN 200 Cb -0.10 -2.15 -0.13 0.00 -0.22 0.00 0.00 33.01 30.41 1ajp s GLN 200 CO 0.24 -1.17 1.46 0.43 -0.25 0.00 0.00 175.29 176.00 1ajp n SER 201 N -1.20 3.01 0.00 5.90 7.64 -1.26 -2.25 113.62 125.46 1ajp n SER 201 Ca 0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1ajp n SER 201 Cb 0.47 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1ajp n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ajp n GLY 202 N 2.25 0.88 3.63 0.23 0.00 -1.26 -5.02 105.19 105.90 1ajp n GLY 202 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1ajp n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ajp s HIS 203 N -2.77 3.15 -0.39 1.61 5.04 -0.95 -4.99 115.29 115.98 1ajp s HIS 203 Ca 0.00 1.11 -0.19 0.00 -1.54 0.00 0.00 55.06 54.44 1ajp s HIS 203 Cb 0.00 -3.63 0.01 0.00 0.04 0.00 0.00 32.58 29.00 1ajp s HIS 203 CO 0.00 -0.75 0.57 0.34 -2.34 0.00 0.00 174.74 172.57 1ajp s ASP 204 N 1.67 6.32 0.00 9.88 -1.08 -1.26 -4.94 116.67 127.27 1ajp s ASP 204 Ca 0.43 -0.20 0.10 0.00 -0.52 0.00 0.00 52.55 52.36 1ajp s ASP 204 Cb -0.12 -2.29 0.59 0.00 -1.46 0.00 0.00 42.92 39.64 1ajp s ASP 204 CO 0.15 -0.63 1.02 -0.81 0.52 0.00 0.00 175.17 175.42 1ajp n PRO 205 N 5.97 0.42 0.00 4.34 -0.04 -1.26 -2.87 135.00 141.56 1ajp n PRO 205 Ca -0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1ajp n PRO 205 Cb 0.48 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1ajp n PRO 205 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ajp n ARG 206 N -0.87 0.62 -4.17 0.54 1.74 -1.26 -4.82 116.66 108.43 1ajp n ARG 206 Ca 0.07 -0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 56.55 1ajp n ARG 206 Cb 0.03 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.88 1ajp n ARG 206 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ajp s LEU 207 N -2.72 2.47 0.64 0.55 1.43 -1.14 -5.03 118.68 114.89 1ajp s LEU 207 Ca 0.15 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.13 1ajp s LEU 207 Cb 0.17 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 1ajp s LEU 207 CO 0.68 -0.40 1.30 -2.84 0.23 0.00 0.00 176.35 175.32 1ajp s PRO 208 N -3.47 2.60 0.11 1.29 0.02 -1.26 -4.82 135.00 129.47 1ajp s PRO 208 Ca 0.09 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.29 1ajp s PRO 208 Cb 0.02 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 1ajp s PRO 208 CO -0.03 -1.57 -0.26 0.14 -0.33 0.00 0.00 177.00 174.95 1ajp s VAL 209 N -1.39 2.16 0.30 3.83 -7.23 -0.70 -4.96 120.40 112.41 1ajp s VAL 209 Ca 0.82 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1ajp s VAL 209 Cb -0.38 -1.91 -0.12 0.00 0.56 0.00 0.00 36.38 34.53 1ajp s VAL 209 CO 0.40 0.12 1.44 -2.65 -0.31 0.00 0.00 175.10 174.10 1ajp n PRO 210 N 1.09 2.34 -0.46 4.82 -0.02 -1.26 0.15 135.00 141.66 1ajp n PRO 210 Ca -0.18 0.83 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1ajp n PRO 210 Cb 0.53 -2.51 0.28 0.00 -0.02 0.00 0.00 33.50 31.77 1ajp n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajp n GLY 211 N 1.55 2.08 0.00 -1.23 0.00 0.31 -4.45 105.19 103.44 1ajp n GLY 211 Ca 0.07 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1ajp n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ajp n THR 212 N 0.87 0.08 0.00 2.61 -2.24 -1.26 -4.72 114.28 109.62 1ajp n THR 212 Ca 0.20 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1ajp n THR 212 Cb 0.69 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1ajp n THR 212 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajp n GLY 213 N 1.01 4.05 0.23 3.38 0.00 -1.26 -1.31 105.19 111.29 1ajp n GLY 213 Ca 0.15 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ajp n GLY 213 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ajp h LYS 214 N 0.00 0.00 -0.30 1.61 6.56 -1.92 -2.89 116.57 119.63 1ajp h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ajp h LYS 214 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ajp h LYS 214 CO 0.00 0.15 0.00 0.91 -2.06 0.00 0.00 179.45 178.45 1ajp n TRP 215 N -3.24 0.39 -1.83 -1.35 7.02 -1.26 -4.99 117.44 112.17 1ajp n TRP 215 Ca 0.01 -0.19 -0.40 0.00 -1.02 0.00 0.00 57.50 55.89 1ajp n TRP 215 Cb 0.44 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.33 1ajp n TRP 215 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1ajp s ASP 216 N -1.56 6.12 0.71 -0.99 1.01 -1.10 -4.78 116.67 116.08 1ajp s ASP 216 Ca 0.36 2.95 -0.16 0.00 0.71 0.00 0.00 52.55 56.41 1ajp s ASP 216 Cb 0.21 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 1ajp s ASP 216 CO 0.30 -1.01 0.97 0.79 0.21 0.00 0.00 175.17 176.43 1ajp n TRP 217 N 0.12 0.71 0.32 4.23 8.01 -1.26 -4.64 117.44 124.93 1ajp n TRP 217 Ca 0.03 0.40 0.12 0.00 -1.31 0.00 0.00 57.50 56.74 1ajp n TRP 217 Cb 0.41 -2.09 0.13 0.00 -2.01 0.00 0.00 31.31 27.75 1ajp n TRP 217 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1ajp h LYS 218 N -0.15 0.00 0.00 -0.99 1.57 -1.37 -3.49 116.57 112.14 1ajp h LYS 218 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ajp h LYS 218 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1ajp h LYS 218 CO 0.47 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 1ajp n GLY 219 N 1.22 -0.13 3.39 3.86 0.00 -1.25 -4.98 105.19 107.30 1ajp n GLY 219 Ca 0.02 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1ajp n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajp s LEU 220 N 0.00 2.37 0.52 0.99 1.43 -1.26 -0.97 118.68 121.76 1ajp s LEU 220 Ca 0.00 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 1ajp s LEU 220 Cb 0.00 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 1ajp s LEU 220 CO 0.00 0.13 1.00 -0.76 0.23 0.00 0.00 176.35 176.95 1ajp s LEU 221 N -2.31 3.62 0.73 1.79 1.43 -0.15 -4.71 118.68 119.09 1ajp s LEU 221 Ca 0.16 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 1ajp s LEU 221 Cb -0.09 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.64 1ajp s LEU 221 CO 0.07 -0.66 1.07 -2.16 0.23 0.00 0.00 176.35 174.90 1ajp s PRO 222 N -4.01 2.66 0.54 1.29 0.04 -1.26 -4.72 135.00 129.52 1ajp s PRO 222 Ca 0.60 0.92 0.20 0.00 0.04 0.00 0.00 61.00 62.76 1ajp s PRO 222 Cb -0.11 -1.96 1.43 0.00 0.04 0.00 0.00 34.50 33.90 1ajp s PRO 222 CO 0.31 -1.29 2.17 0.35 0.04 0.00 0.00 177.00 178.58 1ajp h PHE 223 N -0.86 0.00 -0.09 0.56 3.57 -1.94 -1.85 116.94 116.34 1ajp h PHE 223 Ca -0.44 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.08 1ajp h PHE 223 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1ajp h PHE 223 CO 0.58 0.02 0.07 1.49 -2.23 0.00 0.00 178.31 178.23 1ajp h GLU 224 N 0.00 0.00 0.00 1.11 4.81 -2.03 -1.44 114.58 117.03 1ajp h GLU 224 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ajp h GLU 224 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ajp h GLU 224 CO 0.00 0.00 -0.05 0.52 -0.73 0.00 0.00 179.01 178.75 1ajp h MET 225 N 0.00 0.00 -6.48 1.92 2.86 -1.70 -3.45 114.93 108.08 1ajp h MET 225 Ca 0.04 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.15 1ajp h MET 225 Cb 0.17 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.85 1ajp h MET 225 CO -0.00 0.05 0.87 -0.80 1.06 0.00 0.00 176.91 178.09 1ajp s ASN 226 N -5.94 6.72 0.08 1.22 -0.87 -0.55 -4.92 114.94 110.69 1ajp s ASN 226 Ca 0.03 2.38 -0.35 0.00 -1.57 0.00 0.00 52.86 53.34 1ajp s ASN 226 Cb 0.08 -2.57 -0.14 0.00 -0.02 0.00 0.00 41.25 38.59 1ajp s ASN 226 CO 0.60 -0.78 1.57 -2.65 -2.57 0.00 0.00 177.10 173.27 1ajp n PRO 227 N 4.86 1.85 -3.62 -0.60 -0.02 -1.26 -4.83 135.00 131.37 1ajp n PRO 227 Ca 0.14 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 62.13 1ajp n PRO 227 Cb 0.41 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 1ajp n PRO 227 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ajp s LYS 228 N 1.38 0.86 -0.04 -0.52 -2.85 -1.26 -1.02 119.74 116.28 1ajp s LYS 228 Ca 0.83 0.30 -0.08 0.00 -1.00 0.00 0.00 55.97 56.02 1ajp s LYS 228 Cb -0.77 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.41 1ajp s LYS 228 CO 0.43 -0.22 0.20 0.54 0.10 0.00 0.00 175.35 176.40 1ajp s VAL 229 N -0.81 0.04 -0.09 1.79 0.11 -0.66 -5.00 120.40 115.78 1ajp s VAL 229 Ca -0.09 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1ajp s VAL 229 Cb -0.02 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1ajp s VAL 229 CO 0.06 -0.17 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.10 1ajp s TYR 230 N -0.63 1.38 -1.05 1.54 5.04 -1.26 -1.60 117.35 120.77 1ajp s TYR 230 Ca -0.07 -0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 53.80 1ajp s TYR 230 Cb -0.04 -1.12 -0.01 0.00 0.35 0.00 0.00 41.96 41.14 1ajp s TYR 230 CO 0.01 -0.40 0.78 0.09 -1.34 0.00 0.00 175.55 174.69 1ajp n ASN 231 N 4.50 -5.73 -4.67 4.32 3.02 0.90 -4.90 115.26 112.70 1ajp n ASN 231 Ca -0.17 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 1ajp n ASN 231 Cb 0.51 -3.63 0.01 0.00 -0.61 0.00 0.00 39.78 36.06 1ajp n ASN 231 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1ajp n PRO 232 N -3.65 1.70 -0.30 3.52 -0.04 -1.26 -4.92 135.00 130.05 1ajp n PRO 232 Ca -0.10 0.61 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 1ajp n PRO 232 Cb 0.59 -2.28 0.34 0.00 -0.04 0.00 0.00 33.50 32.11 1ajp n PRO 232 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ajp h GLN 233 N 1.84 0.76 -0.87 0.54 4.20 -1.95 -1.81 115.11 117.81 1ajp h GLN 233 Ca -0.47 -0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.38 1ajp h GLN 233 Cb 1.31 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 1ajp h GLN 233 CO 0.59 0.50 0.57 0.66 -0.67 0.00 0.00 178.83 180.48 1ajp h SER 234 N 0.78 0.43 0.00 1.46 4.64 -2.03 -3.46 113.55 115.37 1ajp h SER 234 Ca 0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1ajp h SER 234 Cb 0.66 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1ajp h SER 234 CO -0.23 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1ajp n GLY 235 N -1.51 0.67 3.48 -0.77 0.00 -0.68 -4.93 105.19 101.45 1ajp n GLY 235 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1ajp n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ajp s TYR 236 N -2.61 -0.26 -0.08 1.61 -0.85 -1.26 -1.68 117.35 112.22 1ajp s TYR 236 Ca 0.00 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.53 1ajp s TYR 236 Cb 0.00 0.45 0.01 0.00 0.38 0.00 0.00 41.96 42.80 1ajp s TYR 236 CO 0.00 -0.89 -0.14 0.42 -1.52 0.00 0.00 175.55 173.43 1ajp s ILE 237 N -3.83 1.28 0.01 -3.49 1.01 -0.61 -4.89 121.20 110.68 1ajp s ILE 237 Ca 0.06 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1ajp s ILE 237 Cb -0.01 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1ajp s ILE 237 CO -0.07 0.39 -0.05 0.00 0.00 0.00 0.00 174.94 175.21 1ajp s ALA 238 N 0.73 0.40 -0.08 9.38 0.00 -1.26 -0.38 121.76 130.54 1ajp s ALA 238 Ca -0.13 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 1ajp s ALA 238 Cb -0.16 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1ajp s ALA 238 CO 0.03 0.06 0.45 1.21 0.00 0.00 0.00 175.76 177.51 1ajp s ASN 239 N -0.41 -0.41 -0.30 0.00 3.84 -0.66 -5.03 114.94 111.98 1ajp s ASN 239 Ca -0.01 0.54 0.19 0.00 0.21 0.00 0.00 52.86 53.79 1ajp s ASN 239 Cb -0.03 0.60 0.47 0.00 -0.55 0.00 0.00 41.25 41.74 1ajp s ASN 239 CO -0.00 -0.38 1.17 1.87 -2.79 0.00 0.00 177.10 176.97 1ajp n TRP 240 N 1.76 0.29 -1.04 0.43 -0.00 -1.26 -2.27 117.44 115.35 1ajp n TRP 240 Ca -0.18 -2.22 -0.01 0.00 -0.00 0.00 0.00 57.50 55.08 1ajp n TRP 240 Cb 0.56 0.22 -0.01 0.00 -0.00 0.00 0.00 31.31 32.09 1ajp n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1ajp n ASN 241 N -0.62 -3.22 -4.76 5.87 3.02 -1.25 -4.70 115.26 109.61 1ajp n ASN 241 Ca 0.02 0.03 -0.27 0.00 -0.03 0.00 0.00 54.58 54.33 1ajp n ASN 241 Cb 0.82 -0.83 0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1ajp n ASN 241 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ajp s ASN 242 N -2.71 4.41 0.41 6.41 4.22 -1.26 -4.99 114.94 121.43 1ajp s ASN 242 Ca 0.00 0.41 -0.27 0.00 -2.14 0.00 0.00 52.86 50.86 1ajp s ASN 242 Cb 0.00 -0.90 -0.10 0.00 1.28 0.00 0.00 41.25 41.54 1ajp s ASN 242 CO 0.00 -1.88 1.47 -0.55 -2.04 0.00 0.00 177.10 174.10 1ajp s SER 243 N -4.62 6.10 0.18 3.54 0.15 -1.26 -4.92 113.70 112.87 1ajp s SER 243 Ca 0.63 3.02 -0.12 0.00 0.70 0.00 0.00 55.95 60.18 1ajp s SER 243 Cb -0.09 -2.66 0.08 0.00 -1.71 0.00 0.00 66.02 61.64 1ajp s SER 243 CO 0.47 -1.03 1.75 -0.65 1.20 0.00 0.00 173.24 174.98 1ajp h PRO 244 N 2.67 0.88 -2.26 5.44 0.11 -1.93 -3.48 132.00 133.43 1ajp h PRO 244 Ca -0.51 -0.14 0.05 0.00 0.11 0.00 0.00 66.00 65.52 1ajp h PRO 244 Cb 1.25 -0.15 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 1ajp h PRO 244 CO 0.63 0.72 0.40 -1.14 -0.21 0.00 0.00 178.00 178.40 1ajp s GLN 245 N -5.66 0.91 0.19 1.05 0.74 -1.26 -5.00 119.66 110.62 1ajp s GLN 245 Ca -0.13 -0.18 -0.33 0.00 0.05 0.00 0.00 55.36 54.78 1ajp s GLN 245 Cb 0.13 0.42 -0.13 0.00 1.10 0.00 0.00 33.01 34.53 1ajp s GLN 245 CO 0.79 -0.37 1.65 1.17 -0.55 0.00 0.00 175.29 177.99 1ajp n LYS 246 N 0.07 2.48 -1.00 1.67 4.81 -1.26 -2.18 118.16 122.75 1ajp n LYS 246 Ca -0.12 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1ajp n LYS 246 Cb 0.61 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1ajp n LYS 246 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ajp n ASP 247 N 3.69 -3.48 -4.67 3.14 8.00 -1.26 -5.03 116.55 116.94 1ajp n ASP 247 Ca 0.16 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 1ajp n ASP 247 Cb 0.32 -0.99 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 1ajp n ASP 247 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ajp s TYR 248 N -1.84 3.41 0.33 1.24 5.04 -0.93 -5.03 117.35 119.58 1ajp s TYR 248 Ca 0.00 1.24 -0.27 0.00 -2.44 0.00 0.00 57.07 55.60 1ajp s TYR 248 Cb 0.00 -3.00 -0.09 0.00 0.35 0.00 0.00 41.96 39.21 1ajp s TYR 248 CO 0.00 -0.24 1.07 -1.25 -1.34 0.00 0.00 175.55 173.79 1ajp s PRO 249 N 2.16 4.43 0.55 4.97 0.04 -1.26 -4.95 135.00 140.94 1ajp s PRO 249 Ca 0.38 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1ajp s PRO 249 Cb -0.16 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.50 1ajp s PRO 249 CO 0.12 0.06 0.77 0.00 0.04 0.00 0.00 177.00 178.00 1ajp s ALA 250 N -1.38 3.86 0.77 8.56 0.00 -1.26 -4.24 121.76 128.07 1ajp s ALA 250 Ca 0.50 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1ajp s ALA 250 Cb -0.28 -2.10 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 1ajp s ALA 250 CO 0.35 -0.74 -0.50 0.45 0.00 0.00 0.00 175.76 175.33 1ajp n SER 251 N -2.34 -4.93 -0.30 0.00 2.88 -0.23 -4.26 113.62 104.44 1ajp n SER 251 Ca 0.07 0.39 0.12 0.00 -1.33 0.00 0.00 58.87 58.12 1ajp n SER 251 Cb 0.60 -0.79 0.56 0.00 -0.75 0.00 0.00 64.21 63.82 1ajp n SER 251 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ajp n ASP 252 N 3.02 0.92 -4.64 -3.46 5.68 -1.26 -4.89 116.55 111.91 1ajp n ASP 252 Ca 0.02 -1.46 -0.47 0.00 -0.50 0.00 0.00 54.79 52.38 1ajp n ASP 252 Cb 0.51 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 1ajp n ASP 252 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ajp n LEU 253 N -0.22 2.59 0.01 -2.12 4.77 -1.26 -4.88 117.00 115.89 1ajp n LEU 253 Ca 0.18 1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 57.26 1ajp n LEU 253 Cb 0.23 -1.35 0.26 0.00 -2.33 0.00 0.00 43.42 40.23 1ajp n LEU 253 CO 0.14 -0.64 0.85 2.19 -1.33 0.00 0.00 177.39 178.60 1ajp h PHE 254 N 4.78 0.53 0.00 -1.77 -5.15 -1.98 -1.64 116.94 111.71 1ajp h PHE 254 Ca -0.45 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.24 1ajp h PHE 254 Cb 1.29 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 37.31 1ajp h PHE 254 CO 0.59 0.60 0.00 0.00 -2.00 0.00 0.00 178.31 177.49 1ajp n ALA 255 N -2.48 2.48 -3.22 12.09 0.00 -1.26 -4.81 120.51 123.31 1ajp n ALA 255 Ca 0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ajp n ALA 255 Cb 0.31 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 18.58 1ajp n ALA 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ajp s PHE 256 N -2.00 2.09 0.01 0.00 2.19 -0.62 -4.64 117.98 115.01 1ajp s PHE 256 Ca 0.02 -0.79 -0.12 0.00 0.33 0.00 0.00 56.93 56.37 1ajp s PHE 256 Cb 0.01 -1.42 0.01 0.00 -1.31 0.00 0.00 43.02 40.31 1ajp s PHE 256 CO 0.01 -0.32 0.25 -0.51 1.83 0.00 0.00 175.22 176.47 1ajp s LEU 257 N 0.37 1.13 -0.31 6.12 1.43 -1.26 -4.78 118.68 121.37 1ajp s LEU 257 Ca -0.14 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1ajp s LEU 257 Cb -0.16 1.09 0.07 0.00 0.03 0.00 0.00 46.19 47.21 1ajp s LEU 257 CO 0.06 -0.49 0.02 0.26 0.23 0.00 0.00 176.35 176.43 1ajp s TRP 258 N -1.89 3.37 0.01 0.29 0.51 -1.26 -5.05 118.94 114.92 1ajp s TRP 258 Ca -0.10 -2.14 0.00 0.00 -2.12 0.00 0.00 56.10 51.74 1ajp s TRP 258 Cb -0.04 -2.33 -0.00 0.00 -0.81 0.00 0.00 33.47 30.29 1ajp s TRP 258 CO 0.00 -0.86 0.01 0.41 -0.51 0.00 0.00 176.95 176.00 1ajp n GLY 259 N 4.55 4.04 0.23 0.98 0.00 -1.26 -5.05 105.19 108.68 1ajp n GLY 259 Ca -0.10 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1ajp n GLY 259 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ajp h GLY 260 N 0.06 0.22 -6.72 -0.02 0.00 -1.98 -3.36 103.07 91.27 1ajp h GLY 260 Ca -0.01 -0.15 -0.62 0.00 0.00 0.00 0.00 47.33 46.55 1ajp h GLY 260 CO 0.01 0.14 0.25 0.00 0.00 0.00 0.00 176.54 176.94 1ajp s ALA 261 N -4.57 3.46 -0.08 3.60 0.00 -1.26 -5.03 121.76 117.88 1ajp s ALA 261 Ca -0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1ajp s ALA 261 Cb 0.15 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1ajp s ALA 261 CO 0.74 -1.35 0.20 0.34 0.00 0.00 0.00 175.76 175.69 1ajp s ASP 262 N 1.78 -0.20 0.55 0.00 -1.08 -1.26 -4.94 116.67 111.52 1ajp s ASP 262 Ca 0.28 0.42 0.37 0.00 -0.52 0.00 0.00 52.55 53.09 1ajp s ASP 262 Cb -0.14 0.32 1.94 0.00 -1.46 0.00 0.00 42.92 43.59 1ajp s ASP 262 CO 0.15 -0.14 2.12 0.08 0.52 0.00 0.00 175.17 177.90 1ajp h ARG 263 N 6.98 0.00 0.00 4.34 0.11 -1.94 -2.82 114.38 121.05 1ajp h ARG 263 Ca -0.39 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.66 1ajp h ARG 263 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 1ajp h ARG 263 CO 0.40 0.00 -0.12 -0.24 0.10 0.00 0.00 179.97 180.10 1ajp h VAL 264 N 0.00 0.78 -0.90 0.08 3.04 -1.96 -2.03 116.25 115.27 1ajp h VAL 264 Ca 0.00 -0.48 0.22 0.00 -1.01 0.00 0.00 66.70 65.43 1ajp h VAL 264 Cb 0.06 1.28 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 1ajp h VAL 264 CO 0.00 0.12 0.60 0.74 -1.01 0.00 0.00 177.57 178.02 1ajp h THR 265 N 0.00 0.65 -0.65 3.17 2.02 -1.93 0.31 112.91 116.48 1ajp h THR 265 Ca -0.00 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1ajp h THR 265 Cb 0.27 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1ajp h THR 265 CO 0.02 0.06 0.43 -0.33 0.37 0.00 0.00 175.52 176.07 1ajp h GLU 266 N 0.32 0.77 0.01 6.66 4.39 -1.60 -1.03 114.58 124.10 1ajp h GLU 266 Ca 0.46 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 60.02 1ajp h GLU 266 Cb 1.29 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ajp h GLU 266 CO -0.15 0.51 -0.38 0.82 -1.16 0.00 0.00 179.01 178.66 1ajp h ILE 267 N 0.79 1.53 -0.52 3.13 2.04 -1.12 -3.25 117.51 120.11 1ajp h ILE 267 Ca 0.26 -2.06 0.10 0.00 1.00 0.00 0.00 64.86 64.16 1ajp h ILE 267 Cb 0.05 2.81 -0.10 0.00 -0.74 0.00 0.00 36.82 38.84 1ajp h ILE 267 CO -0.07 0.57 -0.11 0.44 0.00 0.00 0.00 178.15 178.98 1ajp h ASP 268 N -0.42 -0.45 -0.20 1.72 3.32 -0.97 -0.95 116.42 118.47 1ajp h ASP 268 Ca -0.05 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1ajp h ASP 268 Cb 1.14 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.93 1ajp h ASP 268 CO 0.07 -0.16 -0.33 0.03 -1.72 0.00 0.00 179.24 177.13 1ajp h ARG 269 N 0.01 -0.36 -0.66 3.56 3.08 -1.29 0.59 114.38 119.31 1ajp h ARG 269 Ca 0.25 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1ajp h ARG 269 Cb 0.38 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1ajp h ARG 269 CO -0.52 -0.24 0.43 -0.07 -1.07 0.00 0.00 179.97 178.50 1ajp h LEU 270 N -0.37 0.77 -0.23 3.04 3.38 -1.38 -1.93 115.31 118.59 1ajp h LEU 270 Ca 0.11 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1ajp h LEU 270 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ajp h LEU 270 CO -0.40 0.57 -0.77 -0.07 0.09 0.00 0.00 178.44 177.86 1ajp h LEU 271 N 0.90 0.00 -0.16 1.67 3.38 -0.54 -3.05 115.31 117.51 1ajp h LEU 271 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ajp h LEU 271 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ajp h LEU 271 CO -0.05 0.77 -0.03 -0.33 0.09 0.00 0.00 178.44 178.89 1ajp h GLU 272 N 0.00 0.00 -0.97 1.13 5.08 -0.74 -3.33 114.58 115.75 1ajp h GLU 272 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ajp h GLU 272 Cb 1.48 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1ajp h GLU 272 CO 0.10 0.03 0.63 0.37 -1.00 0.00 0.00 179.01 179.14 1ajp h GLN 273 N 0.00 1.14 -6.43 2.33 4.15 -1.23 -3.42 115.11 111.64 1ajp h GLN 273 Ca -0.00 -0.07 -0.69 0.00 0.77 0.00 0.00 58.65 58.66 1ajp h GLN 273 Cb 0.97 -0.26 -0.25 0.00 0.21 0.00 0.00 27.48 28.15 1ajp h GLN 273 CO 0.00 0.75 -0.80 0.15 -1.93 0.00 0.00 178.83 177.00 1ajp s LYS 274 N -6.01 2.34 0.16 1.69 1.02 -1.25 -5.04 119.74 112.65 1ajp s LYS 274 Ca -0.12 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.94 1ajp s LYS 274 Cb 0.20 -2.26 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1ajp s LYS 274 CO 0.81 0.60 1.70 -1.35 -0.92 0.00 0.00 175.35 176.18 1ajp h PRO 275 N 5.25 0.84 -4.80 -1.68 0.11 -1.86 -3.44 132.00 126.42 1ajp h PRO 275 Ca -0.46 -0.17 -0.30 0.00 0.11 0.00 0.00 66.00 65.18 1ajp h PRO 275 Cb 1.14 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.93 1ajp h PRO 275 CO 0.49 0.76 -0.74 1.03 -0.21 0.00 0.00 178.00 179.33 1ajp s ARG 276 N -5.44 0.67 0.21 1.05 0.52 -1.26 -4.69 118.95 110.01 1ajp s ARG 276 Ca -0.13 -0.93 0.10 0.00 -0.52 0.00 0.00 55.73 54.25 1ajp s ARG 276 Cb 0.12 -0.43 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 1ajp s ARG 276 CO 0.79 0.07 -0.19 -0.51 0.02 0.00 0.00 175.30 175.48 1ajp s LEU 277 N -1.92 2.49 0.49 2.53 1.02 -0.38 -4.88 118.68 118.03 1ajp s LEU 277 Ca -0.03 -0.93 0.09 0.00 0.02 0.00 0.00 54.13 53.28 1ajp s LEU 277 Cb -0.07 -0.95 0.04 0.00 0.02 0.00 0.00 46.19 45.23 1ajp s LEU 277 CO 0.00 0.00 0.66 0.42 0.02 0.00 0.00 176.35 177.45 1ajp s THR 278 N -2.21 2.58 0.22 5.49 -4.23 -1.26 -0.30 115.64 115.94 1ajp s THR 278 Ca 0.21 -1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1ajp s THR 278 Cb -0.05 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.36 1ajp s THR 278 CO 0.09 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.06 1ajp h ALA 279 N 0.46 1.03 -0.70 3.99 0.00 -1.95 0.86 119.26 122.95 1ajp h ALA 279 Ca -0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ajp h ALA 279 Cb 1.28 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1ajp h ALA 279 CO 0.44 0.42 0.21 -0.44 0.00 0.00 0.00 179.25 179.88 1ajp h ASP 280 N 1.08 1.01 -0.42 0.00 3.32 -1.97 0.16 116.42 119.60 1ajp h ASP 280 Ca 0.30 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1ajp h ASP 280 Cb -0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 1ajp h ASP 280 CO -0.07 0.95 -0.29 1.56 -1.72 0.00 0.00 179.24 179.66 1ajp h GLN 281 N 1.04 0.96 -0.37 3.56 4.20 -1.81 -1.57 115.11 121.12 1ajp h GLN 281 Ca 0.23 -0.45 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1ajp h GLN 281 Cb 0.30 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1ajp h GLN 281 CO -0.01 1.12 0.02 0.00 -0.67 0.00 0.00 178.83 179.29 1ajp h ALA 282 N 0.85 1.34 -0.40 3.87 0.00 -0.34 -2.42 119.26 122.16 1ajp h ALA 282 Ca 0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1ajp h ALA 282 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ajp h ALA 282 CO 0.08 0.45 -0.28 2.35 0.00 0.00 0.00 179.25 181.85 1ajp h TRP 283 N 0.55 1.06 0.00 0.00 2.91 -0.53 -3.11 115.95 116.83 1ajp h TRP 283 Ca 0.12 -0.29 0.00 0.00 1.13 0.00 0.00 58.89 59.85 1ajp h TRP 283 Cb 0.33 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1ajp h TRP 283 CO 0.01 1.09 0.00 0.22 -1.03 0.00 0.00 178.44 178.74 1ajp h ASP 284 N 0.72 0.00 0.41 2.65 3.58 -0.78 -0.64 116.42 122.36 1ajp h ASP 284 Ca 0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1ajp h ASP 284 Cb 0.86 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 1ajp h ASP 284 CO 0.08 0.00 -0.06 0.58 -2.88 0.00 0.00 179.24 176.96 1ajp h VAL 285 N 0.00 0.30 -0.15 2.25 2.07 -1.44 -2.19 116.25 117.09 1ajp h VAL 285 Ca 0.00 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1ajp h VAL 285 Cb 0.14 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1ajp h VAL 285 CO 0.00 0.06 -0.00 0.40 0.02 0.00 0.00 177.57 178.05 1ajp h ILE 286 N 0.00 1.26 0.27 4.57 2.04 -1.30 -2.35 117.51 122.00 1ajp h ILE 286 Ca -0.00 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1ajp h ILE 286 Cb 0.28 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1ajp h ILE 286 CO 0.01 0.25 -0.13 -0.09 0.00 0.00 0.00 178.15 178.19 1ajp h ARG 287 N 0.00 -0.36 0.46 2.37 2.43 -1.54 -1.36 114.38 116.38 1ajp h ARG 287 Ca 0.04 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1ajp h ARG 287 Cb 0.38 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1ajp h ARG 287 CO 0.01 -0.24 -0.47 1.96 -1.51 0.00 0.00 179.97 179.72 1ajp h GLN 288 N -0.37 -0.90 -0.63 0.20 4.20 -1.52 -3.11 115.11 112.98 1ajp h GLN 288 Ca -0.04 0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1ajp h GLN 288 Cb 0.29 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1ajp h GLN 288 CO 0.06 -0.60 0.42 1.79 -0.67 0.00 0.00 178.83 179.83 1ajp h THR 289 N -0.93 1.00 -0.97 -0.54 1.35 -1.49 -1.05 112.91 110.29 1ajp h THR 289 Ca -0.06 -0.22 0.23 0.00 -0.55 0.00 0.00 66.41 65.82 1ajp h THR 289 Cb 0.81 0.32 -0.07 0.00 -1.73 0.00 0.00 68.15 67.47 1ajp h THR 289 CO -0.06 0.11 0.64 0.28 -0.25 0.00 0.00 175.52 176.24 1ajp h SER 290 N 0.63 0.39 -0.08 5.36 0.02 -1.18 -2.98 113.55 115.71 1ajp h SER 290 Ca 0.27 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1ajp h SER 290 Cb 0.27 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1ajp h SER 290 CO -0.08 0.13 0.00 0.54 -1.14 0.00 0.00 176.83 176.27 1ajp n ARG 291 N -4.53 1.38 -2.67 3.45 1.74 -0.45 -1.35 116.66 114.23 1ajp n ARG 291 Ca 0.22 -1.54 -0.43 0.00 -0.77 0.00 0.00 57.85 55.33 1ajp n ARG 291 Cb 0.80 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.91 1ajp n ARG 291 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1ajp s GLN 292 N -1.25 4.33 0.17 5.56 2.00 -0.89 -0.57 119.66 129.01 1ajp s GLN 292 Ca 0.20 1.38 -0.32 0.00 -2.00 0.00 0.00 55.36 54.62 1ajp s GLN 292 Cb 0.13 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 30.24 1ajp s GLN 292 CO 0.20 -0.49 1.61 0.34 -0.50 0.00 0.00 175.29 176.45 1ajp s ASP 293 N 1.16 6.54 0.28 6.67 -1.08 -0.09 -4.92 116.67 125.23 1ajp s ASP 293 Ca 0.46 2.67 0.21 0.00 -0.52 0.00 0.00 52.55 55.36 1ajp s ASP 293 Cb -0.17 -2.59 0.11 0.00 -1.46 0.00 0.00 42.92 38.81 1ajp s ASP 293 CO 0.12 -0.86 1.29 -0.07 0.52 0.00 0.00 175.17 176.16 1ajp h LEU 294 N 6.94 0.00 0.00 -1.34 3.38 -1.95 -3.38 115.31 118.95 1ajp h LEU 294 Ca -0.43 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1ajp h LEU 294 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1ajp h LEU 294 CO 0.93 0.17 -1.08 0.78 0.09 0.00 0.00 178.44 179.32 1ajp h ASN 295 N 0.00 0.00 -0.19 -0.43 2.35 -1.96 -3.41 115.58 111.94 1ajp h ASN 295 Ca -0.02 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1ajp h ASN 295 Cb 1.15 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.45 1ajp h ASN 295 CO 0.02 0.37 -0.49 0.25 -1.65 0.00 0.00 177.43 175.92 1ajp h LEU 296 N 0.00 -1.58 -1.31 1.61 5.85 -1.99 -1.75 115.31 116.15 1ajp h LEU 296 Ca -0.08 0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1ajp h LEU 296 Cb 1.36 0.63 -0.05 0.00 0.37 0.00 0.00 40.66 42.97 1ajp h LEU 296 CO 0.03 -0.45 0.52 -0.09 -0.34 0.00 0.00 178.44 178.11 1ajp h ARG 297 N -0.51 0.80 -0.14 1.25 2.43 -1.85 -1.55 114.38 114.80 1ajp h ARG 297 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1ajp h ARG 297 Cb 0.65 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ajp h ARG 297 CO -0.46 0.53 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.20 1ajp h LEU 298 N 0.82 0.48 -1.45 3.80 3.38 -1.56 -3.39 115.31 117.40 1ajp h LEU 298 Ca 0.35 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ajp h LEU 298 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ajp h LEU 298 CO -0.12 0.93 0.00 0.49 0.09 0.00 0.00 178.44 179.83 1ajp n PHE 299 N -4.43 0.03 -0.09 1.13 3.72 -1.07 -4.73 117.46 112.01 1ajp n PHE 299 Ca -0.07 -0.06 -0.10 0.00 -0.05 0.00 0.00 57.45 57.18 1ajp n PHE 299 Cb 0.45 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1ajp n PHE 299 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ajp h LEU 300 N 1.22 0.40 -0.77 4.37 5.85 -1.47 -2.22 115.31 122.69 1ajp h LEU 300 Ca 0.00 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.71 1ajp h LEU 300 Cb 0.31 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1ajp h LEU 300 CO 0.00 0.44 0.34 -0.65 -0.34 0.00 0.00 178.44 178.23 1ajp h PRO 301 N 0.33 0.48 -0.56 5.25 0.11 -1.84 -0.72 132.00 135.05 1ajp h PRO 301 Ca 0.10 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1ajp h PRO 301 Cb 0.16 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1ajp h PRO 301 CO -0.01 0.32 0.17 1.15 -0.21 0.00 0.00 178.00 179.42 1ajp h THR 302 N 0.50 1.24 -0.39 -1.15 2.02 -1.73 -2.01 112.91 111.39 1ajp h THR 302 Ca 0.42 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1ajp h THR 302 Cb 0.62 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1ajp h THR 302 CO -0.38 0.31 -0.17 -0.07 0.37 0.00 0.00 175.52 175.58 1ajp h LEU 303 N 0.79 0.73 -0.28 2.58 3.38 -1.06 -2.58 115.31 118.87 1ajp h LEU 303 Ca 0.18 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1ajp h LEU 303 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ajp h LEU 303 CO -0.00 0.90 -0.38 1.56 0.09 0.00 0.00 178.44 180.61 1ajp h GLN 304 N 0.66 0.76 -0.43 1.13 4.20 -0.78 -2.75 115.11 117.90 1ajp h GLN 304 Ca 0.10 -0.44 -0.14 0.00 0.06 0.00 0.00 58.65 58.23 1ajp h GLN 304 Cb 0.65 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ajp h GLN 304 CO 0.05 1.07 -0.29 0.00 -0.67 0.00 0.00 178.83 178.98 1ajp h ALA 305 N 0.69 0.62 0.00 3.87 0.00 -1.38 -2.51 119.26 120.55 1ajp h ALA 305 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1ajp h ALA 305 Cb 0.98 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ajp h ALA 305 CO 0.09 0.66 -0.33 0.00 0.00 0.00 0.00 179.25 179.66 1ajp h ALA 306 N 0.82 1.08 -0.33 0.00 0.00 -1.38 -3.17 119.26 116.27 1ajp h ALA 306 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ajp h ALA 306 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ajp h ALA 306 CO 0.08 0.42 0.00 0.25 0.00 0.00 0.00 179.25 180.00 1ajp n THR 307 N -3.60 0.66 0.25 0.00 -2.24 -1.05 -4.63 114.28 103.68 1ajp n THR 307 Ca -0.01 -0.83 0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1ajp n THR 307 Cb 0.46 0.78 0.66 0.00 -2.10 0.00 0.00 70.33 70.13 1ajp n THR 307 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ajp h SER 308 N 2.90 0.00 -0.64 3.42 4.64 -1.42 -2.49 113.55 119.96 1ajp h SER 308 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ajp h SER 308 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ajp h SER 308 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1ajp n GLY 309 N -1.03 2.76 3.91 -0.77 0.00 -1.26 -4.97 105.19 103.82 1ajp n GLY 309 Ca -0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1ajp n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajp s LEU 310 N -2.02 4.12 0.66 0.99 1.43 -0.94 -5.08 118.68 117.85 1ajp s LEU 310 Ca 0.52 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1ajp s LEU 310 Cb 0.35 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1ajp s LEU 310 CO 0.23 -0.13 1.05 0.42 0.23 0.00 0.00 176.35 178.15 1ajp s THR 311 N -1.98 4.31 0.52 5.49 -4.23 -1.26 -4.94 115.64 113.55 1ajp s THR 311 Ca 0.43 0.75 0.24 0.00 -1.18 0.00 0.00 61.69 61.93 1ajp s THR 311 Cb -0.11 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.42 1ajp s THR 311 CO 0.28 -0.98 2.15 -0.61 -0.54 0.00 0.00 174.62 174.92 1ajp h GLN 312 N -0.55 0.00 -0.12 3.99 4.15 -1.98 -0.32 115.11 120.28 1ajp h GLN 312 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1ajp h GLN 312 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1ajp h GLN 312 CO 0.59 0.06 0.00 -1.13 -1.93 0.00 0.00 178.83 176.42 1ajp n SER 313 N -4.04 1.87 -4.67 -0.69 3.41 -1.26 -4.74 113.62 103.50 1ajp n SER 313 Ca -0.03 -1.68 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 1ajp n SER 313 Cb 0.14 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1ajp n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ajp s ASP 314 N -1.74 7.07 0.48 4.04 -1.08 -0.13 -4.94 116.67 120.36 1ajp s ASP 314 Ca 0.35 1.33 0.14 0.00 -0.52 0.00 0.00 52.55 53.84 1ajp s ASP 314 Cb 0.19 -2.51 1.11 0.00 -1.46 0.00 0.00 42.92 40.25 1ajp s ASP 314 CO 0.30 -0.54 2.08 1.55 0.52 0.00 0.00 175.17 179.07 1ajp h PRO 315 N 7.38 0.09 -0.71 4.34 0.13 -1.87 -2.08 132.00 139.28 1ajp h PRO 315 Ca -0.24 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 1ajp h PRO 315 Cb 1.10 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1ajp h PRO 315 CO 0.91 0.12 0.47 0.00 -0.23 0.00 0.00 178.00 179.27 1ajp h ARG 316 N 0.09 0.76 -0.07 0.86 3.08 -1.92 -0.96 114.38 116.23 1ajp h ARG 316 Ca 0.02 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 1ajp h ARG 316 Cb 0.10 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ajp h ARG 316 CO 0.00 0.50 -0.79 -0.09 -1.07 0.00 0.00 179.97 178.53 1ajp h ARG 317 N 0.79 0.46 -0.62 0.04 2.43 -1.69 -2.89 114.38 112.90 1ajp h ARG 317 Ca 0.30 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1ajp h ARG 317 Cb 0.18 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1ajp h ARG 317 CO -0.09 1.04 0.01 1.96 -1.51 0.00 0.00 179.97 181.38 1ajp h GLN 318 N 0.30 1.08 -0.63 0.20 4.20 -0.91 -1.26 115.11 118.10 1ajp h GLN 318 Ca -0.05 -0.34 0.09 0.00 0.06 0.00 0.00 58.65 58.41 1ajp h GLN 318 Cb 1.38 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.99 1ajp h GLN 318 CO 0.14 1.05 0.26 -0.07 -0.67 0.00 0.00 178.83 179.54 1ajp h LEU 319 N 0.99 0.30 -1.04 1.46 3.38 -1.26 -0.81 115.31 118.33 1ajp h LEU 319 Ca 0.18 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1ajp h LEU 319 Cb 0.55 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ajp h LEU 319 CO 0.03 0.17 -0.29 0.58 0.09 0.00 0.00 178.44 179.03 1ajp h VAL 320 N 0.46 0.69 0.02 1.22 2.07 -1.26 -2.80 116.25 116.65 1ajp h VAL 320 Ca 0.31 -1.28 -0.23 0.00 0.82 0.00 0.00 66.70 66.32 1ajp h VAL 320 Cb 0.36 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1ajp h VAL 320 CO -0.29 0.28 -0.98 -0.33 0.02 0.00 0.00 177.57 176.28 1ajp h GLU 321 N 0.00 0.40 -0.39 1.57 5.08 -0.28 -0.45 114.58 120.51 1ajp h GLU 321 Ca -0.00 -0.45 0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1ajp h GLU 321 Cb 0.81 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 1ajp h GLU 321 CO 0.04 1.12 0.11 1.15 -1.00 0.00 0.00 179.01 180.43 1ajp h THR 322 N 0.22 0.85 -0.77 1.13 2.02 -0.97 -2.71 112.91 112.68 1ajp h THR 322 Ca -0.09 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1ajp h THR 322 Cb 1.62 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1ajp h THR 322 CO 0.17 0.05 0.46 -0.07 0.37 0.00 0.00 175.52 176.50 1ajp h LEU 323 N 0.25 0.92 -1.49 2.58 3.38 -1.28 -2.65 115.31 117.03 1ajp h LEU 323 Ca 0.18 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1ajp h LEU 323 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ajp h LEU 323 CO -0.21 0.71 -0.22 0.74 0.09 0.00 0.00 178.44 179.55 1ajp h THR 324 N 1.06 0.71 0.00 0.22 2.02 -0.88 -2.49 112.91 113.55 1ajp h THR 324 Ca 0.28 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1ajp h THR 324 Cb -0.04 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1ajp h THR 324 CO -0.05 0.21 -0.34 0.54 0.37 0.00 0.00 175.52 176.25 1ajp n ARG 325 N -3.64 0.10 -3.35 6.66 1.74 -1.00 -4.92 116.66 112.25 1ajp n ARG 325 Ca -0.01 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1ajp n ARG 325 Cb 0.35 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1ajp n ARG 325 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1ajp s TRP 326 N -3.05 3.56 -2.08 -1.55 -0.00 -0.94 -5.00 118.94 109.87 1ajp s TRP 326 Ca 0.11 1.04 0.24 0.00 -0.00 0.00 0.00 56.10 57.48 1ajp s TRP 326 Cb 0.16 -2.36 0.29 0.00 -0.00 0.00 0.00 33.47 31.57 1ajp s TRP 326 CO 0.65 0.38 1.28 -0.40 -0.00 0.00 0.00 176.95 178.86 1ajp n ASP 327 N 0.56 1.81 0.00 5.86 5.68 -1.26 -4.95 116.55 124.25 1ajp n ASP 327 Ca -0.04 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1ajp n ASP 327 Cb 0.52 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1ajp n ASP 327 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ajp n GLY 328 N 1.38 0.71 3.64 6.12 0.00 -1.26 -4.95 105.19 110.82 1ajp n GLY 328 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1ajp n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ajp s ILE 329 N -2.32 4.52 0.29 -0.61 -1.09 -1.26 -0.91 121.20 119.82 1ajp s ILE 329 Ca 0.00 1.71 -0.28 0.00 -2.23 0.00 0.00 60.65 59.86 1ajp s ILE 329 Cb 0.00 -4.41 -0.09 0.00 -1.58 0.00 0.00 42.46 36.38 1ajp s ILE 329 CO 0.00 -0.47 0.95 0.20 -1.23 0.00 0.00 174.94 174.39 1ajp s ASN 330 N 1.66 7.44 0.00 3.58 0.01 0.27 -4.99 114.94 122.90 1ajp s ASN 330 Ca 0.45 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.51 1ajp s ASN 330 Cb -0.12 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.94 1ajp s ASN 330 CO 0.15 0.01 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.97 1ajp s LEU 331 N -1.69 2.03 0.46 0.60 1.43 -1.26 -4.86 118.68 115.39 1ajp s LEU 331 Ca 0.46 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 1ajp s LEU 331 Cb -0.22 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.84 1ajp s LEU 331 CO 0.28 -0.01 1.04 -0.76 0.23 0.00 0.00 176.35 177.12 1ajp s LEU 332 N -0.19 3.91 0.00 1.79 1.43 -1.26 -2.18 118.68 122.18 1ajp s LEU 332 Ca -0.01 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1ajp s LEU 332 Cb -0.02 -4.48 0.16 0.00 0.03 0.00 0.00 46.19 41.88 1ajp s LEU 332 CO -0.00 -0.70 0.59 0.59 0.23 0.00 0.00 176.35 177.06 1ajp n ASN 333 N -0.77 -1.47 0.11 2.29 3.02 0.52 -4.77 115.26 114.20 1ajp n ASN 333 Ca 0.08 -0.88 0.13 0.00 -0.03 0.00 0.00 54.58 53.87 1ajp n ASN 333 Cb 0.52 -0.54 0.45 0.00 -0.61 0.00 0.00 39.78 39.60 1ajp n ASN 333 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ajp n ASP 334 N -3.96 0.72 0.00 6.41 8.00 -1.26 -2.53 116.55 123.93 1ajp n ASP 334 Ca 0.08 0.61 0.10 0.00 0.71 0.00 0.00 54.79 56.29 1ajp n ASP 334 Cb 0.31 -0.79 0.43 0.00 -0.02 0.00 0.00 41.12 41.06 1ajp n ASP 334 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ajp n ASP 335 N -2.22 0.00 -0.57 -2.24 5.68 -1.26 -4.90 116.55 111.04 1ajp n ASP 335 Ca 0.04 0.49 -0.07 0.00 -0.50 0.00 0.00 54.79 54.75 1ajp n ASP 335 Cb 0.34 -0.50 -0.03 0.00 -1.14 0.00 0.00 41.12 39.79 1ajp n ASP 335 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ajp n GLY 336 N 0.58 0.85 0.00 6.12 0.00 -1.05 -4.78 105.19 106.92 1ajp n GLY 336 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ajp n GLY 336 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ajp n LYS 337 N -1.58 0.00 -4.24 1.61 2.85 -1.26 -4.88 118.16 110.66 1ajp n LYS 337 Ca -0.07 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.98 1ajp n LYS 337 Cb 0.39 -0.13 -0.12 0.00 -0.65 0.00 0.00 35.03 34.53 1ajp n LYS 337 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1ajp s THR 338 N 0.00 1.42 0.42 0.58 -4.23 -1.26 -1.44 115.64 111.13 1ajp s THR 338 Ca 0.00 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1ajp s THR 338 Cb 0.00 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.33 1ajp s THR 338 CO 0.00 -0.24 0.86 0.26 -0.54 0.00 0.00 174.62 174.96 1ajp s TRP 339 N -1.57 3.41 0.25 3.99 0.51 0.27 -0.36 118.94 125.44 1ajp s TRP 339 Ca 0.05 1.33 0.06 0.00 -2.12 0.00 0.00 56.10 55.43 1ajp s TRP 339 Cb -0.08 -2.66 0.31 0.00 -0.81 0.00 0.00 33.47 30.23 1ajp s TRP 339 CO 0.03 -0.14 1.59 1.96 -0.51 0.00 0.00 176.95 179.89 1ajp h GLN 340 N 1.54 0.18 -5.73 4.98 4.20 -1.74 -3.38 115.11 115.17 1ajp h GLN 340 Ca -0.48 -0.12 -0.52 0.00 0.06 0.00 0.00 58.65 57.59 1ajp h GLN 340 Cb 1.18 0.02 -0.26 0.00 0.30 0.00 0.00 27.48 28.72 1ajp h GLN 340 CO 0.63 0.71 -0.82 -0.65 -0.67 0.00 0.00 178.83 178.03 1ajp s GLN 341 N -3.78 1.22 -0.00 1.46 -1.52 -1.26 -5.03 119.66 110.74 1ajp s GLN 341 Ca -0.03 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 52.60 1ajp s GLN 341 Cb 0.12 -1.27 0.14 0.00 -0.22 0.00 0.00 33.01 31.78 1ajp s GLN 341 CO 0.79 0.33 1.08 -0.35 -0.25 0.00 0.00 175.29 176.88 1ajp n PRO 342 N 2.01 1.40 -0.19 2.91 -0.04 -1.26 -4.65 135.00 135.17 1ajp n PRO 342 Ca -0.17 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1ajp n PRO 342 Cb 0.54 -1.17 0.10 0.00 -0.04 0.00 0.00 33.50 32.93 1ajp n PRO 342 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ajp h GLY 343 N 5.58 0.75 1.49 0.55 0.00 -1.97 -1.71 103.07 107.77 1ajp h GLY 343 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1ajp h GLY 343 CO 0.01 -0.11 -0.34 1.76 0.00 0.00 0.00 176.54 177.87 1ajp h SER 344 N 0.26 0.59 -0.47 0.19 0.02 -1.98 -1.09 113.55 111.07 1ajp h SER 344 Ca 0.31 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1ajp h SER 344 Cb 0.45 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ajp h SER 344 CO -0.39 0.88 0.02 0.00 -1.14 0.00 0.00 176.83 176.20 1ajp h ALA 345 N 1.15 1.05 -0.08 3.77 0.00 -1.68 -1.21 119.26 122.25 1ajp h ALA 345 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ajp h ALA 345 Cb 0.81 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ajp h ALA 345 CO 0.07 0.60 0.02 0.82 0.00 0.00 0.00 179.25 180.75 1ajp h ILE 346 N 0.82 1.20 -0.71 0.00 2.04 -1.06 -1.29 117.51 118.51 1ajp h ILE 346 Ca 0.16 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1ajp h ILE 346 Cb 0.46 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1ajp h ILE 346 CO 0.02 0.18 0.47 -0.07 0.00 0.00 0.00 178.15 178.74 1ajp h LEU 347 N -0.09 0.73 0.40 1.44 3.38 -1.17 0.14 115.31 120.14 1ajp h LEU 347 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ajp h LEU 347 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ajp h LEU 347 CO 0.00 0.50 -0.19 -1.13 0.09 0.00 0.00 178.44 177.71 1ajp h ASN 348 N 0.85 -0.45 -0.43 -0.43 -0.00 -0.85 0.17 115.58 114.44 1ajp h ASN 348 Ca 0.28 -0.06 -0.08 0.00 -0.00 0.00 0.00 56.30 56.44 1ajp h ASN 348 Cb 0.07 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 1ajp h ASN 348 CO -0.08 -0.21 -0.01 0.58 -0.00 0.00 0.00 177.43 177.70 1ajp h VAL 349 N -0.68 1.25 0.08 2.57 2.07 -0.91 -2.12 116.25 118.51 1ajp h VAL 349 Ca -0.05 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1ajp h VAL 349 Cb 0.49 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ajp h VAL 349 CO 0.09 0.37 -0.12 -0.25 0.02 0.00 0.00 177.57 177.68 1ajp h TRP 350 N 0.78 -0.31 -0.58 1.57 7.01 -0.57 -2.23 115.95 121.62 1ajp h TRP 350 Ca 0.15 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.09 1ajp h TRP 350 Cb 0.49 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1ajp h TRP 350 CO 0.03 -0.19 0.10 1.25 -2.79 0.00 0.00 178.44 176.84 1ajp h LEU 351 N -0.25 0.87 -0.60 0.65 5.85 -0.91 0.13 115.31 121.06 1ajp h LEU 351 Ca 0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1ajp h LEU 351 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1ajp h LEU 351 CO -0.06 0.88 0.29 0.74 -0.34 0.00 0.00 178.44 179.95 1ajp h THR 352 N 0.87 1.21 -0.36 1.05 2.02 -1.08 0.81 112.91 117.43 1ajp h THR 352 Ca 0.18 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 1ajp h THR 352 Cb 0.38 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ajp h THR 352 CO 0.01 0.24 -0.33 -1.28 0.37 0.00 0.00 175.52 174.52 1ajp h SER 353 N 0.81 0.85 -0.69 4.18 0.87 -0.93 -2.09 113.55 116.55 1ajp h SER 353 Ca 0.21 -0.36 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1ajp h SER 353 Cb 0.11 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1ajp h SER 353 CO -0.03 1.10 0.18 0.24 -0.53 0.00 0.00 176.83 177.80 1ajp h MET 354 N 0.68 1.11 -0.35 2.24 2.07 -0.34 -1.96 114.93 118.39 1ajp h MET 354 Ca 0.07 -0.26 -0.17 0.00 -2.07 0.00 0.00 59.70 57.27 1ajp h MET 354 Cb 0.88 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.46 1ajp h MET 354 CO 0.08 0.97 -0.45 -0.07 1.07 0.00 0.00 176.91 178.51 1ajp h LEU 355 N 1.06 1.00 -1.72 1.22 3.38 -0.75 -2.15 115.31 117.35 1ajp h LEU 355 Ca 0.22 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1ajp h LEU 355 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ajp h LEU 355 CO 0.00 1.29 -0.15 0.50 0.09 0.00 0.00 178.44 180.18 1ajp h LYS 356 N 0.73 0.00 0.00 1.13 3.64 -1.21 -1.49 116.57 119.38 1ajp h LYS 356 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ajp h LYS 356 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1ajp h LYS 356 CO 0.11 0.15 -0.44 0.00 -2.27 0.00 0.00 179.45 176.99 1ajp h ARG 357 N 0.00 0.00 0.00 1.90 3.08 -1.09 -3.32 114.38 114.95 1ajp h ARG 357 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ajp h ARG 357 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ajp h ARG 357 CO 0.02 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 1ajp n THR 358 N -2.55 0.00 -0.02 2.04 -2.24 -0.83 -4.69 114.28 105.99 1ajp n THR 358 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1ajp n THR 358 Cb 0.49 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1ajp n THR 358 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ajp h VAL 359 N 0.00 1.11 -0.60 2.28 2.07 -1.74 -2.44 116.25 116.92 1ajp h VAL 359 Ca 0.00 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ajp h VAL 359 Cb 0.00 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1ajp h VAL 359 CO 0.00 0.10 0.32 0.58 0.02 0.00 0.00 177.57 178.59 1ajp h VAL 360 N 0.09 0.97 -0.26 2.57 2.07 -1.52 -2.32 116.25 117.85 1ajp h VAL 360 Ca 0.04 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1ajp h VAL 360 Cb 0.10 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1ajp h VAL 360 CO -0.01 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1ajp h ALA 361 N 1.32 1.53 0.00 1.67 0.00 -1.54 -2.52 119.26 119.72 1ajp h ALA 361 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ajp h ALA 361 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ajp h ALA 361 CO -0.17 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1ajp n ALA 362 N -2.49 2.25 -2.83 0.00 0.00 -0.89 -4.83 120.51 111.72 1ajp n ALA 362 Ca 0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1ajp n ALA 362 Cb 0.21 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 1ajp n ALA 362 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ajp s VAL 363 N -3.04 4.73 0.35 0.00 1.01 -0.95 -5.08 120.40 117.42 1ajp s VAL 363 Ca 0.12 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1ajp s VAL 363 Cb 0.16 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 1ajp s VAL 363 CO 0.53 0.46 1.35 -2.16 0.00 0.00 0.00 175.10 175.27 1ajp s PRO 364 N 0.39 4.25 0.39 2.72 0.05 -1.26 -4.25 135.00 137.28 1ajp s PRO 364 Ca 0.03 2.29 -0.27 0.00 0.05 0.00 0.00 61.00 63.10 1ajp s PRO 364 Cb -0.12 -3.01 -0.09 0.00 0.05 0.00 0.00 34.50 31.33 1ajp s PRO 364 CO 0.00 -0.30 1.29 -1.64 0.05 0.00 0.00 177.00 176.40 1ajp s MET 365 N -1.92 4.08 -0.25 4.56 -1.94 -1.26 -1.48 119.30 121.09 1ajp s MET 365 Ca 0.51 2.14 0.13 0.00 -1.71 0.00 0.00 55.69 56.76 1ajp s MET 365 Cb -0.41 -2.83 0.78 0.00 2.01 0.00 0.00 34.83 34.38 1ajp s MET 365 CO 0.55 -0.40 1.74 -0.35 -0.01 0.00 0.00 175.02 176.55 1ajp n PRO 366 N 0.29 4.46 0.11 2.03 -0.04 -1.26 -4.90 135.00 135.69 1ajp n PRO 366 Ca 0.03 -3.13 0.13 0.00 -0.04 0.00 0.00 63.50 60.48 1ajp n PRO 366 Cb 0.43 -2.22 0.44 0.00 -0.04 0.00 0.00 33.50 32.12 1ajp n PRO 366 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ajp n PHE 367 N 0.33 0.87 -0.27 0.54 3.72 -0.55 -3.59 117.46 118.52 1ajp n PHE 367 Ca 0.30 0.29 0.03 0.00 -0.05 0.00 0.00 57.45 58.02 1ajp n PHE 367 Cb 1.22 -0.97 0.24 0.00 -0.94 0.00 0.00 39.48 39.04 1ajp n PHE 367 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1ajp h ASP 368 N 0.00 0.89 -0.03 4.37 2.03 -1.70 -1.31 116.42 120.66 1ajp h ASP 368 Ca 0.00 -0.01 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 1ajp h ASP 368 Cb 0.58 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1ajp h ASP 368 CO 0.00 0.60 0.16 0.11 -1.03 0.00 0.00 179.24 179.08 1ajp h LYS 369 N 1.02 0.00 0.00 4.15 6.56 -1.91 -1.09 116.57 125.30 1ajp h LYS 369 Ca 0.34 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 1ajp h LYS 369 Cb 0.08 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1ajp h LYS 369 CO -0.11 0.00 -0.06 -1.49 -2.06 0.00 0.00 179.45 175.73 1ajp h TRP 370 N 0.00 0.00 -0.11 -1.35 6.55 -1.47 -3.27 115.95 116.30 1ajp h TRP 370 Ca 0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1ajp h TRP 370 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1ajp h TRP 370 CO 0.00 0.06 0.00 0.66 -1.05 0.00 0.00 178.44 178.11 1ajp n TYR 371 N -3.23 0.26 1.08 0.49 4.01 -0.42 -4.74 117.16 114.61 1ajp n TYR 371 Ca -0.00 -0.73 0.12 0.00 -0.16 0.00 0.00 57.90 57.13 1ajp n TYR 371 Cb 0.29 -0.13 0.19 0.00 -0.31 0.00 0.00 39.34 39.38 1ajp n TYR 371 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ajp n SER 372 N -0.62 0.95 -4.77 7.72 3.41 -1.22 -4.38 113.62 114.72 1ajp n SER 372 Ca 0.11 -0.75 -0.38 0.00 -0.26 0.00 0.00 58.87 57.59 1ajp n SER 372 Cb 0.53 0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.80 1ajp n SER 372 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ajp s ALA 373 N -2.78 3.26 -0.28 7.33 0.00 -1.26 -4.87 121.76 123.16 1ajp s ALA 373 Ca 0.16 0.58 0.22 0.00 0.00 0.00 0.00 51.96 52.92 1ajp s ALA 373 Cb 0.18 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.18 1ajp s ALA 373 CO 0.66 0.15 1.20 0.66 0.00 0.00 0.00 175.76 178.43 1ajp h SER 374 N 3.50 0.00 0.00 0.00 4.64 -1.91 -3.43 113.55 116.35 1ajp h SER 374 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ajp h SER 374 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ajp h SER 374 CO 0.66 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1ajp n GLY 375 N 1.18 0.85 0.31 -0.77 0.00 -1.26 -4.40 105.19 101.11 1ajp n GLY 375 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1ajp n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ajp n TYR 376 N -1.75 0.00 -1.70 1.61 4.02 -1.26 -4.65 117.16 113.42 1ajp n TYR 376 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1ajp n TYR 376 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1ajp n TYR 376 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ajp n GLU 377 N 0.29 2.71 -3.19 -0.72 4.71 -1.26 -4.96 120.64 118.22 1ajp n GLU 377 Ca 0.05 0.98 -0.10 0.00 -0.01 0.00 0.00 57.16 58.08 1ajp n GLU 377 Cb 0.21 -2.84 -0.02 0.00 -1.01 0.00 0.00 31.44 27.78 1ajp n GLU 377 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ajp n THR 378 N 4.16 0.00 -3.64 2.62 -2.24 -1.26 -4.85 114.28 109.07 1ajp n THR 378 Ca 0.17 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1ajp n THR 378 Cb 0.35 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1ajp n THR 378 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ajp n THR 379 N -0.39 0.00 0.10 4.28 -2.24 -1.26 -4.97 114.28 109.80 1ajp n THR 379 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1ajp n THR 379 Cb 0.39 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.97 1ajp n THR 379 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1ajp h GLN 380 N 0.00 0.26 0.00 -0.78 4.15 -2.00 -0.56 115.11 116.18 1ajp h GLN 380 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1ajp h GLN 380 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1ajp h GLN 380 CO 0.00 0.45 0.00 -0.25 -1.93 0.00 0.00 178.83 177.10 1ajp n ASP 381 N -4.22 0.17 0.00 -0.69 8.00 -1.26 -4.65 116.55 113.91 1ajp n ASP 381 Ca -0.01 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1ajp n ASP 381 Cb 0.32 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1ajp n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ajp n GLY 382 N 0.63 -0.18 3.61 0.44 0.00 -0.22 -3.08 105.19 106.38 1ajp n GLY 382 Ca 0.05 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1ajp n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ajp n PRO 383 N -0.20 1.22 0.03 1.61 -0.02 -1.26 -4.31 135.00 132.07 1ajp n PRO 383 Ca 0.00 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1ajp n PRO 383 Cb 0.00 -2.06 0.35 0.00 -0.02 0.00 0.00 33.50 31.77 1ajp n PRO 383 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ajp n THR 384 N -0.82 0.15 -1.11 3.45 -2.24 -1.26 -4.83 114.28 107.63 1ajp n THR 384 Ca 0.10 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ajp n THR 384 Cb 0.41 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1ajp n THR 384 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajp n GLY 385 N 1.44 4.09 3.78 3.38 0.00 -1.26 -4.19 105.19 112.43 1ajp n GLY 385 Ca 0.05 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1ajp n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajp s SER 386 N 1.68 4.78 0.07 1.61 1.04 -1.26 -4.97 113.70 116.65 1ajp s SER 386 Ca 0.00 1.84 -0.23 0.00 0.48 0.00 0.00 55.95 58.04 1ajp s SER 386 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 1ajp s SER 386 CO 0.00 -1.85 0.70 -0.76 0.98 0.00 0.00 173.24 172.31 1ajp s LEU 387 N -5.59 4.49 0.30 2.42 1.02 -1.26 -5.07 118.68 114.98 1ajp s LEU 387 Ca 0.62 1.40 0.04 0.00 0.02 0.00 0.00 54.13 56.21 1ajp s LEU 387 Cb -0.17 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 42.88 1ajp s LEU 387 CO 0.52 0.12 0.20 0.21 0.02 0.00 0.00 176.35 177.42 1ajp s ASN 388 N -0.51 1.38 -0.12 2.29 3.84 -1.26 -5.09 114.94 115.48 1ajp s ASN 388 Ca 0.35 -1.61 -0.28 0.00 0.21 0.00 0.00 52.86 51.53 1ajp s ASN 388 Cb -0.20 0.46 -0.02 0.00 -0.55 0.00 0.00 41.25 40.94 1ajp s ASN 388 CO 0.22 -0.95 0.92 -0.63 -2.79 0.00 0.00 177.10 173.87 1ajp s ILE 389 N -3.64 4.84 0.85 -5.21 1.01 -1.26 -4.82 121.20 112.98 1ajp s ILE 389 Ca 0.38 1.86 -0.11 0.00 0.00 0.00 0.00 60.65 62.78 1ajp s ILE 389 Cb 0.04 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.39 1ajp s ILE 389 CO 0.20 0.04 1.14 -0.94 0.00 0.00 0.00 174.94 175.37 1ajp s SER 390 N 1.09 3.49 0.10 3.58 1.04 -1.26 -4.82 113.70 116.93 1ajp s SER 390 Ca 0.44 2.11 -0.24 0.00 0.48 0.00 0.00 55.95 58.74 1ajp s SER 390 Cb -0.18 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.28 1ajp s SER 390 CO 0.16 -2.72 1.69 0.58 0.98 0.00 0.00 173.24 173.93 1ajp h VAL 391 N -1.50 0.74 -0.65 5.02 2.07 -1.87 -1.46 116.25 118.60 1ajp h VAL 391 Ca -0.44 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1ajp h VAL 391 Cb 1.26 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 1ajp h VAL 391 CO 0.45 0.00 0.16 1.23 0.02 0.00 0.00 177.57 179.44 1ajp h GLY 392 N -0.21 0.88 1.86 2.17 0.00 -1.84 -0.97 103.07 104.96 1ajp h GLY 392 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1ajp h GLY 392 CO -0.08 -0.13 -0.32 0.00 0.00 0.00 0.00 176.54 176.02 1ajp h ALA 393 N 1.52 1.30 -0.13 3.60 0.00 -1.71 0.42 119.26 124.26 1ajp h ALA 393 Ca 0.35 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1ajp h ALA 393 Cb 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ajp h ALA 393 CO -0.42 0.49 -0.70 0.87 0.00 0.00 0.00 179.25 179.49 1ajp h LYS 394 N 0.15 0.55 -0.52 0.00 1.57 -0.88 -0.06 116.57 117.38 1ajp h LYS 394 Ca 0.02 -0.42 -0.13 0.00 -1.87 0.00 0.00 60.65 58.25 1ajp h LYS 394 Cb 0.64 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1ajp h LYS 394 CO 0.05 1.05 -0.17 0.82 -0.57 0.00 0.00 179.45 180.63 1ajp h ILE 395 N 0.39 1.27 -0.20 1.86 2.04 -0.73 -3.04 117.51 119.09 1ajp h ILE 395 Ca -0.03 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 1ajp h ILE 395 Cb 1.28 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1ajp h ILE 395 CO 0.13 0.47 -0.19 0.25 0.00 0.00 0.00 178.15 178.81 1ajp h LEU 396 N 0.89 0.34 -0.94 1.44 5.85 -0.79 -2.48 115.31 119.62 1ajp h LEU 396 Ca 0.13 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1ajp h LEU 396 Cb 0.75 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ajp h LEU 396 CO 0.06 0.55 0.01 0.22 -0.34 0.00 0.00 178.44 178.94 1ajp h TYR 397 N 0.32 0.83 -0.32 1.25 3.20 -0.90 -1.21 116.97 120.15 1ajp h TYR 397 Ca 0.06 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1ajp h TYR 397 Cb 0.52 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1ajp h TYR 397 CO 0.01 0.76 -0.08 0.93 -1.64 0.00 0.00 178.16 178.14 1ajp h GLU 398 N 0.73 0.62 -0.80 1.82 4.39 -1.37 -2.80 114.58 117.17 1ajp h GLU 398 Ca 0.15 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.65 1ajp h GLU 398 Cb 0.43 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1ajp h GLU 398 CO 0.02 0.80 0.50 0.00 -1.16 0.00 0.00 179.01 179.17 1ajp h ALA 399 N 0.80 1.07 0.00 3.43 0.00 -1.14 -1.94 119.26 121.47 1ajp h ALA 399 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ajp h ALA 399 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ajp h ALA 399 CO 0.03 0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.90 1ajp n VAL 400 N -4.62 0.18 0.39 0.00 0.24 -0.51 -2.38 118.33 111.64 1ajp n VAL 400 Ca 0.10 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.57 1ajp n VAL 400 Cb 0.12 -0.62 0.20 0.00 -1.47 0.00 0.00 33.84 32.07 1ajp n VAL 400 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ajp h GLN 401 N 0.00 0.00 0.00 7.34 1.08 -1.07 -3.50 115.11 118.95 1ajp h GLN 401 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ajp h GLN 401 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1ajp h GLN 401 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1ajp n GLY 402 N 1.23 1.01 0.00 3.46 0.00 -1.00 -2.78 105.19 107.11 1ajp n GLY 402 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1ajp n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ajp n ASP 403 N 1.95 0.00 0.22 1.61 5.68 -1.26 -2.11 116.55 122.64 1ajp n ASP 403 Ca 0.00 -1.10 0.13 0.00 -0.50 0.00 0.00 54.79 53.32 1ajp n ASP 403 Cb 0.00 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.28 1ajp n ASP 403 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1ajp h LYS 404 N 0.00 0.00 -6.52 0.11 1.63 -1.90 -3.44 116.57 106.46 1ajp h LYS 404 Ca 0.00 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.28 1ajp h LYS 404 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1ajp h LYS 404 CO 0.00 0.00 0.27 0.45 -3.45 0.00 0.00 179.45 176.72 1ajp s SER 405 N -5.94 7.42 0.00 4.20 0.15 -0.90 -4.96 113.70 113.67 1ajp s SER 405 Ca 0.06 1.70 0.22 0.00 0.70 0.00 0.00 55.95 58.62 1ajp s SER 405 Cb 0.06 -2.54 0.94 0.00 -1.71 0.00 0.00 66.02 62.78 1ajp s SER 405 CO 0.63 0.05 1.69 -0.81 1.20 0.00 0.00 173.24 176.01 1ajp n PRO 406 N 2.33 0.04 -3.09 5.44 -0.04 -1.26 -4.75 135.00 133.66 1ajp n PRO 406 Ca -0.01 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1ajp n PRO 406 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1ajp n PRO 406 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ajp s ILE 407 N -2.95 4.89 0.10 0.52 -1.09 -1.26 -5.01 121.20 116.40 1ajp s ILE 407 Ca 0.12 0.75 -0.32 0.00 -2.23 0.00 0.00 60.65 58.97 1ajp s ILE 407 Cb 0.14 -4.06 -0.11 0.00 -1.58 0.00 0.00 42.46 36.85 1ajp s ILE 407 CO 0.39 -0.25 1.83 -2.65 -1.23 0.00 0.00 174.94 173.03 1ajp n PRO 408 N 6.02 2.70 -2.86 2.79 -0.02 -1.26 -4.86 135.00 137.51 1ajp n PRO 408 Ca -0.01 0.98 -0.44 0.00 -2.02 0.00 0.00 63.50 62.02 1ajp n PRO 408 Cb 0.49 -2.87 -0.01 0.00 -0.02 0.00 0.00 33.50 31.08 1ajp n PRO 408 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ajp s GLN 409 N 2.84 3.82 0.27 -0.52 -1.52 -1.26 -4.85 119.66 118.44 1ajp s GLN 409 Ca 0.83 -2.02 -0.04 0.00 -1.95 0.00 0.00 55.36 52.19 1ajp s GLN 409 Cb -0.51 -5.08 0.35 0.00 -0.22 0.00 0.00 33.01 27.55 1ajp s GLN 409 CO 0.39 -1.87 1.88 0.00 -0.25 0.00 0.00 175.29 175.45 1ajp h ALA 410 N 8.20 1.26 -4.30 6.09 0.00 -2.05 -3.38 119.26 125.08 1ajp h ALA 410 Ca 0.25 -0.13 -0.70 0.00 0.00 0.00 0.00 54.91 54.34 1ajp h ALA 410 Cb 0.95 -0.31 -0.26 0.00 0.00 0.00 0.00 17.79 18.17 1ajp h ALA 410 CO 1.23 0.59 -0.83 0.14 0.00 0.00 0.00 179.25 180.37 1ajp s VAL 411 N -5.68 2.57 -0.36 0.00 -7.23 -1.26 -5.08 120.40 103.35 1ajp s VAL 411 Ca -0.11 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 1ajp s VAL 411 Cb 0.17 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1ajp s VAL 411 CO 0.81 0.57 1.25 -0.62 -0.31 0.00 0.00 175.10 176.80 1ajp s ASP 412 N -0.71 6.64 0.37 4.85 2.15 -1.26 -4.90 116.67 123.81 1ajp s ASP 412 Ca 0.11 0.95 0.27 0.00 0.43 0.00 0.00 52.55 54.31 1ajp s ASP 412 Cb -0.10 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.88 1ajp s ASP 412 CO 0.00 -1.15 1.78 -0.07 -0.17 0.00 0.00 175.17 175.56 1ajp h LEU 413 N 11.08 0.00 -0.73 -1.34 3.38 -1.93 -2.26 115.31 123.50 1ajp h LEU 413 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ajp h LEU 413 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ajp h LEU 413 CO 1.06 0.00 0.00 0.49 0.09 0.00 0.00 178.44 180.08 1ajp n PHE 414 N -2.68 0.02 -4.09 1.13 3.72 -1.26 -4.46 117.46 109.83 1ajp n PHE 414 Ca 0.03 -0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1ajp n PHE 414 Cb 0.37 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 1ajp n PHE 414 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajp n ALA 415 N -0.10 -2.19 0.00 4.37 0.00 -0.85 -1.75 120.51 119.99 1ajp n ALA 415 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1ajp n ALA 415 Cb 0.29 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1ajp n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajp n GLY 416 N -2.21 3.09 3.82 0.00 0.00 -1.26 -5.01 105.19 103.61 1ajp n GLY 416 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1ajp n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajp s LYS 417 N -0.23 4.26 0.41 1.61 1.02 -0.71 -5.02 119.74 121.07 1ajp s LYS 417 Ca 0.00 0.96 -0.27 0.00 0.02 0.00 0.00 55.97 56.69 1ajp s LYS 417 Cb 0.00 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.59 1ajp s LYS 417 CO 0.00 0.23 1.46 -2.14 -0.92 0.00 0.00 175.35 173.98 1ajp s PRO 418 N -2.46 3.91 0.19 -1.68 0.02 -1.26 -4.83 135.00 128.88 1ajp s PRO 418 Ca 0.51 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.88 1ajp s PRO 418 Cb -0.14 -2.82 0.16 0.00 0.02 0.00 0.00 34.50 31.72 1ajp s PRO 418 CO 0.19 -0.67 1.66 1.96 -0.33 0.00 0.00 177.00 179.81 1ajp h GLN 419 N 2.68 0.03 -0.92 5.54 4.20 -1.95 -1.66 115.11 123.03 1ajp h GLN 419 Ca -0.51 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.34 1ajp h GLN 419 Cb 1.25 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.95 1ajp h GLN 419 CO 0.63 0.02 0.59 0.37 -0.67 0.00 0.00 178.83 179.76 1ajp h GLN 420 N 0.03 0.72 -0.56 1.46 4.15 -1.95 1.00 115.11 119.96 1ajp h GLN 420 Ca 0.24 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 1ajp h GLN 420 Cb 0.37 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1ajp h GLN 420 CO -0.49 0.48 0.03 1.49 -1.93 0.00 0.00 178.83 178.41 1ajp h GLU 421 N 0.74 0.93 -0.12 1.69 4.81 -1.67 -1.68 114.58 119.28 1ajp h GLU 421 Ca 0.47 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 59.22 1ajp h GLU 421 Cb 0.70 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.99 1ajp h GLU 421 CO -0.23 0.90 -0.79 0.28 -0.73 0.00 0.00 179.01 178.45 1ajp h VAL 422 N 0.87 1.30 -0.49 0.32 2.07 -0.99 -2.23 116.25 117.11 1ajp h VAL 422 Ca 0.17 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 1ajp h VAL 422 Cb 0.47 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1ajp h VAL 422 CO 0.02 0.64 0.15 0.58 0.02 0.00 0.00 177.57 178.98 1ajp h VAL 423 N 0.46 1.20 0.04 2.57 2.07 -0.78 -1.96 116.25 119.86 1ajp h VAL 423 Ca -0.05 -0.67 -0.26 0.00 0.82 0.00 0.00 66.70 66.54 1ajp h VAL 423 Cb 1.40 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1ajp h VAL 423 CO 0.15 0.25 -1.08 -0.07 0.02 0.00 0.00 177.57 176.85 1ajp h LEU 424 N 0.71 0.70 -0.72 2.57 3.38 -1.32 -0.26 115.31 120.37 1ajp h LEU 424 Ca 0.16 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1ajp h LEU 424 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ajp h LEU 424 CO -0.01 1.41 -0.05 0.00 0.09 0.00 0.00 178.44 179.89 1ajp h ALA 425 N 0.53 0.92 -0.34 1.53 0.00 -1.17 -1.37 119.26 119.36 1ajp h ALA 425 Ca -0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1ajp h ALA 425 Cb 1.73 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1ajp h ALA 425 CO 0.20 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.88 1ajp h ALA 426 N 1.09 1.02 0.00 0.00 0.00 -1.17 -1.74 119.26 118.46 1ajp h ALA 426 Ca 0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ajp h ALA 426 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ajp h ALA 426 CO 0.03 0.58 -0.29 -0.07 0.00 0.00 0.00 179.25 179.50 1ajp h LEU 427 N 0.56 0.00 -0.29 0.00 3.38 -0.50 -0.67 115.31 117.80 1ajp h LEU 427 Ca 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1ajp h LEU 427 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ajp h LEU 427 CO 0.05 0.29 -0.77 -0.08 0.09 0.00 0.00 178.44 178.02 1ajp h GLU 428 N 0.00 0.56 -0.75 1.13 4.81 -0.92 -1.72 114.58 117.68 1ajp h GLU 428 Ca -0.00 -0.47 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1ajp h GLU 428 Cb 0.53 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1ajp h GLU 428 CO 0.04 1.10 0.33 -0.44 -0.73 0.00 0.00 179.01 179.31 1ajp h ASP 429 N 0.37 1.01 -0.16 1.04 3.32 -0.86 -1.91 116.42 119.24 1ajp h ASP 429 Ca -0.05 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1ajp h ASP 429 Cb 1.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1ajp h ASP 429 CO 0.14 0.89 0.01 0.74 -1.72 0.00 0.00 179.24 179.30 1ajp h THR 430 N 1.07 1.25 -0.73 0.35 2.02 -0.94 -2.04 112.91 113.89 1ajp h THR 430 Ca 0.25 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.64 1ajp h THR 430 Cb 0.17 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1ajp h THR 430 CO -0.03 0.24 0.47 -0.25 0.37 0.00 0.00 175.52 176.33 1ajp h TRP 431 N 0.03 0.89 0.12 3.16 2.91 -1.25 -0.53 115.95 121.28 1ajp h TRP 431 Ca 0.05 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1ajp h TRP 431 Cb 0.36 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1ajp h TRP 431 CO 0.03 0.53 -0.06 1.49 -1.03 0.00 0.00 178.44 179.40 1ajp h GLU 432 N 0.94 -0.16 0.28 2.65 4.22 -1.26 -1.15 114.58 120.10 1ajp h GLU 432 Ca 0.28 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 1ajp h GLU 432 Cb -0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ajp h GLU 432 CO -0.09 -0.11 -0.13 1.15 -2.18 0.00 0.00 179.01 177.65 1ajp h THR 433 N -0.17 0.75 -0.17 0.32 2.02 -1.17 -3.05 112.91 111.46 1ajp h THR 433 Ca -0.01 -0.21 -0.19 0.00 0.77 0.00 0.00 66.41 66.77 1ajp h THR 433 Cb 0.13 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ajp h THR 433 CO 0.02 0.05 -0.65 -0.07 0.37 0.00 0.00 175.52 175.24 1ajp h LEU 434 N -0.48 0.71 -1.06 2.58 3.38 -1.12 -3.16 115.31 116.17 1ajp h LEU 434 Ca -0.04 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1ajp h LEU 434 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ajp h LEU 434 CO 0.06 1.18 -0.33 0.77 0.09 0.00 0.00 178.44 180.21 1ajp h SER 435 N 0.45 0.25 -0.75 -0.43 4.64 -1.32 -1.11 113.55 115.28 1ajp h SER 435 Ca -0.02 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ajp h SER 435 Cb 1.23 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1ajp h SER 435 CO 0.13 0.58 0.46 0.50 -0.87 0.00 0.00 176.83 177.62 1ajp h LYS 436 N 0.21 1.01 0.21 4.77 3.11 -1.50 0.71 116.57 125.09 1ajp h LYS 436 Ca 0.03 -0.08 -0.35 0.00 -2.81 0.00 0.00 60.65 57.43 1ajp h LYS 436 Cb 0.70 -0.21 0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1ajp h LYS 436 CO 0.05 0.70 -1.67 -0.09 -2.81 0.00 0.00 179.45 175.63 1ajp h ARG 437 N 1.02 0.44 0.00 1.90 2.43 -1.47 -3.39 114.38 115.31 1ajp h ARG 437 Ca 0.27 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1ajp h ARG 437 Cb -0.05 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ajp h ARG 437 CO -0.05 1.36 -1.72 0.66 -1.51 0.00 0.00 179.97 178.70 1ajp n TYR 438 N -3.63 0.00 -0.06 2.20 4.01 -0.45 -5.12 117.16 114.11 1ajp n TYR 438 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1ajp n TYR 438 Cb 1.09 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1ajp n TYR 438 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ajp n GLY 439 N 1.37 -3.19 0.04 2.72 0.00 0.25 -4.73 105.19 101.64 1ajp n GLY 439 Ca -0.02 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.04 1ajp n GLY 439 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ajp n ASN 440 N -0.00 0.60 -4.46 1.61 3.02 -1.26 -4.32 115.26 110.44 1ajp n ASN 440 Ca 0.00 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 1ajp n ASN 440 Cb 0.00 0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1ajp n ASN 440 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ajp s ASN 441 N -4.02 6.54 0.43 6.41 3.04 -1.26 -4.87 114.94 121.21 1ajp s ASN 441 Ca 0.03 -1.82 0.20 0.00 0.04 0.00 0.00 52.86 51.31 1ajp s ASN 441 Cb 0.14 -2.42 1.14 0.00 -1.54 0.00 0.00 41.25 38.57 1ajp s ASN 441 CO 0.81 -1.16 1.84 0.58 -3.04 0.00 0.00 177.10 176.13 1ajp h VAL 442 N 5.94 0.63 0.00 -5.21 2.07 -1.95 -0.13 116.25 117.61 1ajp h VAL 442 Ca 0.09 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ajp h VAL 442 Cb 1.03 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ajp h VAL 442 CO 1.15 0.06 0.00 0.28 0.02 0.00 0.00 177.57 179.08 1ajp h SER 443 N 0.35 0.00 -0.40 0.57 0.02 -1.99 -2.30 113.55 109.79 1ajp h SER 443 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1ajp h SER 443 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1ajp h SER 443 CO -0.18 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.05 1ajp n ASN 444 N -2.45 3.38 -4.66 3.07 2.04 -0.06 -4.97 115.26 111.61 1ajp n ASN 444 Ca 0.02 -2.22 -0.42 0.00 -0.44 0.00 0.00 54.58 51.51 1ajp n ASN 444 Cb 0.24 -0.35 -0.03 0.00 -2.53 0.00 0.00 39.78 37.12 1ajp n ASN 444 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1ajp s TRP 445 N -1.40 1.94 -0.53 -2.53 0.52 -0.87 -4.97 118.94 111.10 1ajp s TRP 445 Ca 0.32 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.60 1ajp s TRP 445 Cb 0.19 -3.93 0.14 0.00 -1.15 0.00 0.00 33.47 28.72 1ajp s TRP 445 CO 0.17 -3.91 0.32 0.15 0.02 0.00 0.00 176.95 173.70 1ajp s LYS 446 N 4.10 2.22 0.11 4.98 1.02 -1.26 -4.68 119.74 126.22 1ajp s LYS 446 Ca 0.74 -2.33 -0.12 0.00 0.02 0.00 0.00 55.97 54.27 1ajp s LYS 446 Cb -0.33 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.34 1ajp s LYS 446 CO 0.30 -1.12 0.48 0.95 -0.92 0.00 0.00 175.35 175.04 1ajp s THR 447 N 0.24 4.97 0.15 2.17 -4.23 -1.26 -4.91 115.64 112.77 1ajp s THR 447 Ca 0.14 0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 61.01 1ajp s THR 447 Cb -0.22 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 69.82 1ajp s THR 447 CO -0.03 0.29 1.74 -2.16 -0.54 0.00 0.00 174.62 173.91 1ajp s PRO 448 N -1.87 4.15 0.54 3.99 0.04 -1.26 -0.57 135.00 140.02 1ajp s PRO 448 Ca 0.35 2.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.75 1ajp s PRO 448 Cb -0.15 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 30.95 1ajp s PRO 448 CO 0.18 -0.77 1.01 0.00 0.04 0.00 0.00 177.00 177.47 1ajp s ALA 449 N 2.05 2.94 0.17 8.56 0.00 -0.52 -4.64 121.76 130.31 1ajp s ALA 449 Ca 0.77 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1ajp s ALA 449 Cb -0.46 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 1ajp s ALA 449 CO 0.34 -0.45 1.03 -1.64 0.00 0.00 0.00 175.76 175.03 1ajp s MET 450 N -4.07 4.68 0.44 0.00 -1.94 -1.26 -4.93 119.30 112.21 1ajp s MET 450 Ca 0.61 1.59 0.06 0.00 -1.71 0.00 0.00 55.69 56.24 1ajp s MET 450 Cb -0.12 -3.31 0.06 0.00 2.01 0.00 0.00 34.83 33.47 1ajp s MET 450 CO 0.33 0.20 0.47 0.00 -0.01 0.00 0.00 175.02 176.02 1ajp n ALA 451 N 2.31 0.81 -3.74 3.03 0.00 -1.26 -1.97 120.51 119.69 1ajp n ALA 451 Ca 0.02 -1.69 -0.23 0.00 0.00 0.00 0.00 53.44 51.54 1ajp n ALA 451 Cb 0.47 0.58 -0.17 0.00 0.00 0.00 0.00 19.45 20.34 1ajp n ALA 451 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ajp s LEU 452 N 0.00 1.06 -0.19 0.00 2.96 -0.40 -4.13 118.68 117.98 1ajp s LEU 452 Ca 0.36 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1ajp s LEU 452 Cb -0.03 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1ajp s LEU 452 CO 0.23 -0.11 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.25 1ajp s THR 453 N 1.49 3.95 -0.61 3.68 2.01 -1.18 0.01 115.64 124.99 1ajp s THR 453 Ca -0.01 -0.32 -0.22 0.00 0.31 0.00 0.00 61.69 61.45 1ajp s THR 453 Cb -0.13 -2.78 0.06 0.00 0.01 0.00 0.00 72.50 69.67 1ajp s THR 453 CO -0.04 0.44 0.90 -0.36 -0.69 0.00 0.00 174.62 174.87 1ajp s PHE 454 N 0.90 2.77 0.43 4.92 0.40 0.15 -4.56 117.98 122.98 1ajp s PHE 454 Ca 0.01 -0.45 -0.22 0.00 -0.60 0.00 0.00 56.93 55.67 1ajp s PHE 454 Cb -0.14 -4.13 -0.10 0.00 0.51 0.00 0.00 43.02 39.15 1ajp s PHE 454 CO 0.02 -1.48 0.97 1.03 0.70 0.00 0.00 175.22 176.46 1ajp s ARG 455 N 3.77 4.18 0.24 0.44 0.52 -0.91 -1.69 118.95 125.51 1ajp s ARG 455 Ca 0.22 1.23 0.17 0.00 -0.52 0.00 0.00 55.73 56.83 1ajp s ARG 455 Cb -0.17 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.08 1ajp s ARG 455 CO 0.12 -0.08 1.28 0.00 0.02 0.00 0.00 175.30 176.64 1ajp h ALA 456 N 2.05 0.69 -2.67 2.13 0.00 -1.89 0.31 119.26 119.88 1ajp h ALA 456 Ca -0.49 -0.45 -0.57 0.00 0.00 0.00 0.00 54.91 53.40 1ajp h ALA 456 Cb 1.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1ajp h ALA 456 CO 0.61 0.56 -0.05 -0.80 0.00 0.00 0.00 179.25 179.58 1ajp s ASN 457 N -6.17 7.00 0.98 0.00 0.01 -1.26 -1.12 114.94 114.39 1ajp s ASN 457 Ca 0.02 1.22 -0.16 0.00 -0.71 0.00 0.00 52.86 53.23 1ajp s ASN 457 Cb 0.08 -2.34 0.21 0.00 0.41 0.00 0.00 41.25 39.61 1ajp s ASN 457 CO 0.76 0.23 1.32 0.54 -1.51 0.00 0.00 177.10 178.44 1ajp s ASN 458 N -1.27 2.93 0.64 -1.22 2.20 0.28 -4.83 114.94 113.66 1ajp s ASN 458 Ca 0.31 0.25 0.36 0.00 -0.94 0.00 0.00 52.86 52.84 1ajp s ASN 458 Cb -0.18 -0.27 2.04 0.00 -2.00 0.00 0.00 41.25 40.83 1ajp s ASN 458 CO 0.19 -2.85 2.23 2.19 -2.94 0.00 0.00 177.10 175.92 1ajp h PHE 459 N -1.72 0.00 0.00 1.54 -5.15 -1.94 0.52 116.94 110.18 1ajp h PHE 459 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1ajp h PHE 459 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1ajp h PHE 459 CO -1.30 0.00 0.00 0.74 -2.00 0.00 0.00 178.31 175.75 1ajp h PHE 460 N 0.00 0.00 0.00 6.09 -1.00 -2.02 -3.46 116.94 116.54 1ajp h PHE 460 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1ajp h PHE 460 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1ajp h PHE 460 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1ajp n GLY 461 N 1.10 0.88 3.77 -1.45 0.00 0.18 -5.08 105.19 104.60 1ajp n GLY 461 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1ajp n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajp s VAL 462 N -2.00 5.16 0.24 1.61 1.01 -1.25 -4.85 120.40 120.32 1ajp s VAL 462 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 1ajp s VAL 462 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 1ajp s VAL 462 CO 0.00 0.55 1.49 -2.65 0.00 0.00 0.00 175.10 174.49 1ajp n PRO 463 N 2.61 2.24 -0.03 2.72 -0.02 -1.26 0.99 135.00 142.25 1ajp n PRO 463 Ca -0.18 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1ajp n PRO 463 Cb 0.54 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1ajp n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ajp n GLN 464 N 2.35 1.90 -3.65 -0.52 10.64 -0.27 -4.78 117.38 123.04 1ajp n GLN 464 Ca 0.12 -1.35 -0.05 0.00 -1.83 0.00 0.00 57.00 53.88 1ajp n GLN 464 Cb 0.32 -0.91 -0.02 0.00 -0.86 0.00 0.00 30.24 28.78 1ajp n GLN 464 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ajp s ALA 465 N -0.92 -1.74 0.59 2.61 0.00 -1.03 -4.66 121.76 116.62 1ajp s ALA 465 Ca 0.04 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1ajp s ALA 465 Cb 0.03 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1ajp s ALA 465 CO 0.00 -0.91 1.00 0.00 0.00 0.00 0.00 175.76 175.86 1ajp s ALA 466 N -3.20 3.12 0.40 0.00 0.00 -1.26 -4.80 121.76 116.02 1ajp s ALA 466 Ca 0.09 -0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.11 1ajp s ALA 466 Cb -0.01 -3.04 0.98 0.00 0.00 0.00 0.00 23.12 21.04 1ajp s ALA 466 CO -0.02 -0.59 1.88 0.00 0.00 0.00 0.00 175.76 177.02 1ajp h ALA 467 N -0.08 2.04 0.00 0.00 0.00 -2.02 0.24 119.26 119.44 1ajp h ALA 467 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ajp h ALA 467 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ajp h ALA 467 CO 0.62 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.97 1ajp n GLU 468 N -4.53 0.11 0.00 0.00 4.71 -1.26 -2.38 120.64 117.30 1ajp n GLU 468 Ca 0.17 0.21 0.14 0.00 -0.01 0.00 0.00 57.16 57.67 1ajp n GLU 468 Cb 0.57 -1.50 0.61 0.00 -1.01 0.00 0.00 31.44 30.11 1ajp n GLU 468 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ajp n GLU 469 N -1.37 0.99 -1.72 3.49 1.02 0.84 -4.87 120.64 119.03 1ajp n GLU 469 Ca 0.05 -0.41 -0.43 0.00 -0.02 0.00 0.00 57.16 56.35 1ajp n GLU 469 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1ajp n GLU 469 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ajp n THR 470 N -0.64 1.02 -5.10 2.62 -1.04 -1.00 -4.85 114.28 105.29 1ajp n THR 470 Ca 0.17 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 1ajp n THR 470 Cb 0.28 -1.78 -0.15 0.00 -1.82 0.00 0.00 70.33 66.87 1ajp n THR 470 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ajp s ARG 471 N -0.51 2.16 -0.07 -2.82 1.81 -0.68 -4.96 118.95 113.87 1ajp s ARG 471 Ca 0.65 -0.90 0.03 0.00 -1.72 0.00 0.00 55.73 53.79 1ajp s ARG 471 Cb -0.55 -2.13 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 1ajp s ARG 471 CO 0.49 0.57 -0.14 -1.01 -0.68 0.00 0.00 175.30 174.53 1ajp s HIS 472 N -0.69 2.72 -0.05 -0.53 3.76 -1.26 0.30 115.29 119.54 1ajp s HIS 472 Ca 0.11 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1ajp s HIS 472 Cb -0.10 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.91 1ajp s HIS 472 CO 0.00 0.09 -0.15 -1.14 -0.85 0.00 0.00 174.74 172.69 1ajp s GLN 473 N -0.47 1.71 0.10 1.40 0.74 0.10 -5.00 119.66 118.24 1ajp s GLN 473 Ca 0.06 -0.51 -0.18 0.00 0.05 0.00 0.00 55.36 54.78 1ajp s GLN 473 Cb -0.12 -1.45 -0.07 0.00 1.10 0.00 0.00 33.01 32.48 1ajp s GLN 473 CO 0.02 0.14 1.59 0.00 -0.55 0.00 0.00 175.29 176.49 1ajp h ALA 474 N 6.56 0.36 -2.50 1.58 0.00 -1.91 -1.04 119.26 122.30 1ajp h ALA 474 Ca -0.31 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 1ajp h ALA 474 Cb 1.18 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1ajp h ALA 474 CO 0.48 0.02 -0.10 -2.00 0.00 0.00 0.00 179.25 177.65 1ajp s GLU 475 N -5.27 3.69 0.22 0.00 2.12 -1.26 -4.09 118.70 114.11 1ajp s GLU 475 Ca -0.14 -0.14 -0.32 0.00 0.36 0.00 0.00 54.97 54.74 1ajp s GLU 475 Cb 0.08 -3.78 -0.12 0.00 0.26 0.00 0.00 34.13 30.57 1ajp s GLU 475 CO 0.74 -0.57 1.68 -0.47 -0.54 0.00 0.00 175.26 176.10 1ajp s TYR 476 N 2.30 2.89 -0.10 5.30 5.04 -0.83 -4.58 117.35 127.38 1ajp s TYR 476 Ca 0.18 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 1ajp s TYR 476 Cb -0.16 -4.10 0.02 0.00 0.35 0.00 0.00 41.96 38.07 1ajp s TYR 476 CO 0.12 -4.08 -0.11 -0.65 -1.34 0.00 0.00 175.55 169.49 1ajp s GLN 477 N 0.84 1.80 -1.37 4.97 -0.21 -1.26 -4.93 119.66 119.49 1ajp s GLN 477 Ca 0.72 -0.40 -0.15 0.00 0.02 0.00 0.00 55.36 55.54 1ajp s GLN 477 Cb -0.49 -1.63 0.06 0.00 1.00 0.00 0.00 33.01 31.96 1ajp s GLN 477 CO 0.35 -0.11 1.97 -1.71 -2.12 0.00 0.00 175.29 173.67 1ajp n ASN 478 N 4.36 4.44 -3.57 5.90 5.15 -0.46 -4.89 115.26 126.19 1ajp n ASN 478 Ca -0.18 -2.89 -0.14 0.00 -0.60 0.00 0.00 54.58 50.77 1ajp n ASN 478 Cb 0.51 -1.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.02 1ajp n ASN 478 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ajp s ARG 479 N 3.41 1.70 0.59 1.20 1.70 -1.26 -3.92 118.95 122.36 1ajp s ARG 479 Ca 0.49 -1.66 -0.20 0.00 -0.47 0.00 0.00 55.73 53.89 1ajp s ARG 479 Cb 0.09 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 1ajp s ARG 479 CO -0.01 -0.68 1.32 0.41 -1.08 0.00 0.00 175.30 175.26 1ajp n GLY 480 N -0.48 0.66 0.36 3.88 0.00 -1.25 -4.81 105.19 103.54 1ajp n GLY 480 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1ajp n GLY 480 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ajp h THR 481 N 1.07 1.00 -3.52 2.61 2.02 -1.18 -3.40 112.91 111.51 1ajp h THR 481 Ca -0.51 -0.26 -0.31 0.00 0.77 0.00 0.00 66.41 66.10 1ajp h THR 481 Cb 1.32 0.17 -0.15 0.00 -1.74 0.00 0.00 68.15 67.75 1ajp h THR 481 CO 0.55 0.14 -0.72 -1.83 0.37 0.00 0.00 175.52 174.04 1ajp s GLU 482 N -5.68 0.98 0.02 6.66 4.04 -1.26 -4.75 118.70 118.71 1ajp s GLU 482 Ca -0.10 -1.37 0.07 0.00 0.04 0.00 0.00 54.97 53.61 1ajp s GLU 482 Cb 0.20 -0.55 -0.02 0.00 0.02 0.00 0.00 34.13 33.77 1ajp s GLU 482 CO 0.78 0.07 -0.21 -0.80 -1.84 0.00 0.00 175.26 173.25 1ajp s ASN 483 N -2.99 2.46 -0.03 0.83 -0.87 -1.26 -3.96 114.94 109.13 1ajp s ASN 483 Ca 0.14 -0.46 -0.08 0.00 -1.57 0.00 0.00 52.86 50.89 1ajp s ASN 483 Cb 0.02 -0.23 0.01 0.00 -0.02 0.00 0.00 41.25 41.02 1ajp s ASN 483 CO -0.00 0.20 0.18 1.51 -2.57 0.00 0.00 177.10 176.42 1ajp s ASP 484 N -0.89 -0.09 -0.03 -1.22 -4.77 -1.05 -2.97 116.67 105.66 1ajp s ASP 484 Ca 0.08 0.07 0.02 0.00 -3.30 0.00 0.00 52.55 49.42 1ajp s ASP 484 Cb -0.08 0.30 0.01 0.00 -1.09 0.00 0.00 42.92 42.05 1ajp s ASP 484 CO 0.01 -0.25 -0.07 -0.32 0.70 0.00 0.00 175.17 175.23 1ajp s MET 485 N -0.76 0.83 -0.12 2.11 1.75 0.26 -2.15 119.30 121.22 1ajp s MET 485 Ca -0.08 -0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.16 1ajp s MET 485 Cb -0.05 -0.79 0.00 0.00 2.84 0.00 0.00 34.83 36.83 1ajp s MET 485 CO 0.01 0.06 -0.23 0.42 -0.65 0.00 0.00 175.02 174.64 1ajp s ILE 486 N 0.32 2.06 -0.21 10.11 1.09 -0.59 -0.90 121.20 133.08 1ajp s ILE 486 Ca -0.05 -1.00 0.02 0.00 -1.10 0.00 0.00 60.65 58.52 1ajp s ILE 486 Cb -0.09 -1.80 0.04 0.00 -1.06 0.00 0.00 42.46 39.55 1ajp s ILE 486 CO 0.00 0.55 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.57 1ajp s VAL 487 N 0.57 1.95 -0.10 2.92 1.01 0.11 -1.89 120.40 124.97 1ajp s VAL 487 Ca -0.13 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.59 1ajp s VAL 487 Cb -0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1ajp s VAL 487 CO 0.04 0.24 0.21 -0.36 0.00 0.00 0.00 175.10 175.23 1ajp s PHE 488 N 1.27 3.62 -1.07 5.22 0.08 -0.62 -1.01 117.98 125.47 1ajp s PHE 488 Ca -0.01 0.64 -0.21 0.00 0.12 0.00 0.00 56.93 57.46 1ajp s PHE 488 Cb -0.16 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1ajp s PHE 488 CO -0.09 0.67 0.67 0.43 -0.10 0.00 0.00 175.22 176.80 1ajp n SER 489 N 2.09 -4.59 -4.72 1.36 7.64 -0.15 -1.17 113.62 114.07 1ajp n SER 489 Ca -0.18 -1.13 -0.42 0.00 1.01 0.00 0.00 58.87 58.15 1ajp n SER 489 Cb 0.54 -1.93 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 1ajp n SER 489 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ajp s PRO 490 N -6.37 4.16 0.14 1.43 0.04 -1.26 -3.94 135.00 129.19 1ajp s PRO 490 Ca 0.32 2.51 0.21 0.00 0.04 0.00 0.00 61.00 64.08 1ajp s PRO 490 Cb -0.17 -3.10 0.85 0.00 0.04 0.00 0.00 34.50 32.12 1ajp s PRO 490 CO 0.93 -0.68 1.64 0.25 0.04 0.00 0.00 177.00 179.18 1ajp n THR 491 N 3.76 0.82 0.20 1.26 -2.24 -0.84 -3.63 114.28 113.60 1ajp n THR 491 Ca 0.14 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 1ajp n THR 491 Cb 0.37 -1.01 0.26 0.00 -2.10 0.00 0.00 70.33 67.85 1ajp n THR 491 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ajp n THR 492 N -1.91 0.75 -4.04 4.28 -2.24 -1.26 -4.95 114.28 104.91 1ajp n THR 492 Ca 0.03 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1ajp n THR 492 Cb 0.23 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1ajp n THR 492 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ajp s SER 493 N -1.04 0.44 -0.01 3.42 0.15 -1.24 -5.04 113.70 110.38 1ajp s SER 493 Ca 0.39 -1.26 0.22 0.00 0.70 0.00 0.00 55.95 56.00 1ajp s SER 493 Cb 0.20 0.64 -0.30 0.00 -1.71 0.00 0.00 66.02 64.86 1ajp s SER 493 CO 0.27 -1.26 0.57 -0.90 1.20 0.00 0.00 173.24 173.12 1ajp n ASP 494 N -0.99 0.16 -4.75 5.45 5.68 -1.26 -4.86 116.55 115.98 1ajp n ASP 494 Ca -0.01 -0.07 -0.41 0.00 -0.50 0.00 0.00 54.79 53.80 1ajp n ASP 494 Cb 0.62 1.77 -0.02 0.00 -1.14 0.00 0.00 41.12 42.35 1ajp n ASP 494 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ajp s ARG 495 N -3.45 4.30 0.56 0.11 1.81 -1.26 -4.94 118.95 116.08 1ajp s ARG 495 Ca -0.06 2.26 0.33 0.00 -1.72 0.00 0.00 55.73 56.54 1ajp s ARG 495 Cb 0.14 -3.10 1.65 0.00 -0.45 0.00 0.00 34.95 33.19 1ajp s ARG 495 CO 0.90 -0.33 2.12 -1.00 -0.68 0.00 0.00 175.30 176.30 1ajp h PRO 496 N 4.47 0.00 -4.38 3.54 0.14 -1.93 -3.38 132.00 130.45 1ajp h PRO 496 Ca -0.47 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.46 1ajp h PRO 496 Cb 1.22 0.00 -0.19 0.00 0.14 0.00 0.00 31.00 32.18 1ajp h PRO 496 CO 0.73 0.06 -0.71 0.08 0.14 0.00 0.00 178.00 178.31 1ajp s VAL 497 N -4.04 0.41 0.00 1.56 1.01 -1.26 -0.98 120.40 117.10 1ajp s VAL 497 Ca -0.02 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.58 1ajp s VAL 497 Cb 0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1ajp s VAL 497 CO 0.53 -0.64 0.00 -0.76 0.00 0.00 0.00 175.10 174.23 1ajp s LEU 498 N -2.14 2.05 -0.00 3.92 1.43 -0.18 -4.98 118.68 118.76 1ajp s LEU 498 Ca -0.03 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1ajp s LEU 498 Cb -0.03 0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.28 1ajp s LEU 498 CO -0.03 -0.12 0.23 0.00 0.23 0.00 0.00 176.35 176.66 1ajp s ALA 499 N -0.56 -0.57 0.18 4.21 0.00 -1.26 0.08 121.76 123.83 1ajp s ALA 499 Ca -0.06 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 1ajp s ALA 499 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1ajp s ALA 499 CO -0.00 -0.24 0.27 -1.58 0.00 0.00 0.00 175.76 174.20 1ajp s TRP 500 N -1.38 0.53 0.12 0.00 0.51 -0.08 -2.01 118.94 116.64 1ajp s TRP 500 Ca -0.14 -0.88 -0.08 0.00 -2.12 0.00 0.00 56.10 52.88 1ajp s TRP 500 Cb -0.06 -0.13 0.03 0.00 -0.81 0.00 0.00 33.47 32.50 1ajp s TRP 500 CO 0.03 -0.72 0.40 -0.40 -0.51 0.00 0.00 176.95 175.74 1ajp n ASP 501 N -0.23 -0.87 -3.64 2.95 5.75 -0.65 -0.57 116.55 119.29 1ajp n ASP 501 Ca -0.05 -1.53 -0.06 0.00 -0.01 0.00 0.00 54.79 53.13 1ajp n ASP 501 Cb 0.63 1.43 -0.06 0.00 -1.03 0.00 0.00 41.12 42.09 1ajp n ASP 501 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ajp s VAL 502 N -2.48 -0.17 -0.32 2.12 0.11 -1.16 -1.68 120.40 116.83 1ajp s VAL 502 Ca 0.08 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1ajp s VAL 502 Cb -0.02 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.94 1ajp s VAL 502 CO 0.04 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.23 1ajp s VAL 503 N 1.84 0.80 0.03 2.04 1.01 -1.26 -4.09 120.40 120.78 1ajp s VAL 503 Ca -0.09 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.48 1ajp s VAL 503 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ajp s VAL 503 CO -0.20 -0.71 -0.05 0.00 0.00 0.00 0.00 175.10 174.14 1ajp s ALA 504 N 1.54 3.08 0.30 5.51 0.00 -1.26 -2.78 121.76 128.15 1ajp s ALA 504 Ca 0.11 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ajp s ALA 504 Cb -0.18 -1.14 0.48 0.00 0.00 0.00 0.00 23.12 22.29 1ajp s ALA 504 CO -0.23 0.63 1.87 -1.35 0.00 0.00 0.00 175.76 176.68 1ajp h PRO 505 N 4.24 0.77 -2.11 0.00 0.11 -1.85 -3.39 132.00 129.78 1ajp h PRO 505 Ca -0.48 -0.13 0.33 0.00 0.11 0.00 0.00 66.00 65.82 1ajp h PRO 505 Cb 1.17 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 1ajp h PRO 505 CO 0.55 0.67 0.87 0.20 -0.21 0.00 0.00 178.00 180.08 1ajp s GLY 506 N -3.64 -0.13 0.19 -0.55 0.00 -1.12 -0.97 107.32 101.10 1ajp s GLY 506 Ca -0.09 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 1ajp s GLY 506 CO 0.79 4.89 1.74 -1.61 0.00 0.00 0.00 173.10 178.91 1ajp h GLN 507 N 2.00 1.00 -5.92 2.90 5.75 -1.66 -3.43 115.11 115.75 1ajp h GLN 507 Ca -0.23 -0.19 -0.62 0.00 -0.15 0.00 0.00 58.65 57.46 1ajp h GLN 507 Cb 1.19 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1ajp h GLN 507 CO 0.31 0.84 -0.49 0.45 -2.65 0.00 0.00 178.83 177.29 1ajp s SER 508 N -6.20 6.36 0.00 -0.69 0.15 -1.00 -4.89 113.70 107.43 1ajp s SER 508 Ca -0.13 0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.89 1ajp s SER 508 Cb 0.14 -1.96 0.22 0.00 -1.71 0.00 0.00 66.02 62.71 1ajp s SER 508 CO 0.81 0.17 1.14 0.61 1.20 0.00 0.00 173.24 177.17 1ajp n GLY 509 N 0.30 2.28 3.72 9.45 0.00 -1.26 -3.92 105.19 115.75 1ajp n GLY 509 Ca -0.05 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1ajp n GLY 509 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ajp s PHE 510 N -0.96 3.69 -0.15 1.61 5.36 -1.26 -4.97 117.98 121.30 1ajp s PHE 510 Ca 0.18 1.69 -0.00 0.00 -0.96 0.00 0.00 56.93 57.84 1ajp s PHE 510 Cb 0.09 -3.13 0.03 0.00 -0.34 0.00 0.00 43.02 39.67 1ajp s PHE 510 CO 0.13 -0.09 -0.09 0.42 -1.46 0.00 0.00 175.22 174.12 1ajp s ILE 511 N 0.54 1.30 1.01 3.12 1.01 -1.26 -0.71 121.20 126.21 1ajp s ILE 511 Ca 0.50 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1ajp s ILE 511 Cb -0.23 -1.33 0.20 0.00 0.01 0.00 0.00 42.46 41.10 1ajp s ILE 511 CO 0.29 0.31 1.08 0.00 0.00 0.00 0.00 174.94 176.62 1ajp s ALA 512 N 1.58 0.74 0.45 9.38 0.00 0.11 -4.87 121.76 129.14 1ajp s ALA 512 Ca 0.03 -0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.16 1ajp s ALA 512 Cb -0.14 -3.23 1.35 0.00 0.00 0.00 0.00 23.12 21.10 1ajp s ALA 512 CO -0.09 -3.00 2.07 -1.35 0.00 0.00 0.00 175.76 173.39 1ajp h PRO 513 N -2.02 0.00 -0.00 0.00 0.11 -2.01 -1.79 132.00 126.29 1ajp h PRO 513 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ajp h PRO 513 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ajp h PRO 513 CO 0.52 0.13 -0.04 -0.40 -0.21 0.00 0.00 178.00 178.00 1ajp n ASP 514 N -3.88 0.34 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.55 1ajp n ASP 514 Ca -0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1ajp n ASP 514 Cb 0.22 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1ajp n ASP 514 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ajp n GLY 515 N 1.18 0.60 3.71 6.12 0.00 -0.67 -5.04 105.19 111.08 1ajp n GLY 515 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ajp n GLY 515 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajp s THR 516 N -2.06 3.94 -0.00 2.61 2.01 -1.26 -4.79 115.64 116.08 1ajp s THR 516 Ca 0.00 1.38 -0.15 0.00 0.31 0.00 0.00 61.69 63.23 1ajp s THR 516 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1ajp s THR 516 CO 0.00 0.10 0.43 -0.69 -0.69 0.00 0.00 174.62 173.77 1ajp s VAL 517 N 1.17 5.01 0.67 3.82 1.01 -1.26 -0.71 120.40 130.11 1ajp s VAL 517 Ca 0.59 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.30 1ajp s VAL 517 Cb -0.30 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1ajp s VAL 517 CO 0.29 0.56 0.83 -0.67 0.00 0.00 0.00 175.10 176.11 1ajp n ASP 518 N 1.95 0.07 0.29 3.32 2.03 0.11 -4.89 116.55 119.44 1ajp n ASP 518 Ca -0.13 0.70 0.17 0.00 0.52 0.00 0.00 54.79 56.04 1ajp n ASP 518 Cb 0.52 -1.34 0.95 0.00 -0.72 0.00 0.00 41.12 40.53 1ajp n ASP 518 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ajp h LYS 519 N -0.02 0.00 -0.33 -0.67 3.64 -1.97 -1.93 116.57 115.30 1ajp h LYS 519 Ca -0.47 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1ajp h LYS 519 Cb 1.35 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 1ajp h LYS 519 CO 0.47 0.00 -0.04 0.72 -2.27 0.00 0.00 179.45 178.33 1ajp n HIS 520 N -3.71 1.05 0.09 1.91 8.25 -1.26 -4.67 115.22 116.87 1ajp n HIS 520 Ca -0.02 -1.38 -0.08 0.00 -0.26 0.00 0.00 57.72 55.98 1ajp n HIS 520 Cb 0.12 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 1ajp n HIS 520 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1ajp h TYR 521 N 1.19 0.20 -0.07 4.41 3.20 -1.46 -2.58 116.97 121.85 1ajp h TYR 521 Ca 0.16 -0.12 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 1ajp h TYR 521 Cb 1.60 -0.02 -0.27 0.00 1.54 0.00 0.00 36.73 39.58 1ajp h TYR 521 CO 0.86 0.96 -0.70 -0.85 -1.64 0.00 0.00 178.16 176.79 1ajp n GLU 522 N -3.60 0.48 -0.26 1.82 0.28 -1.26 -3.50 120.64 114.61 1ajp n GLU 522 Ca -0.03 -1.81 0.06 0.00 -0.16 0.00 0.00 57.16 55.23 1ajp n GLU 522 Cb 0.83 -0.04 0.19 0.00 1.43 0.00 0.00 31.44 33.86 1ajp n GLU 522 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ajp n ASP 523 N -0.14 2.49 0.00 -1.84 5.75 -1.19 -3.54 116.55 118.07 1ajp n ASP 523 Ca -0.08 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1ajp n ASP 523 Cb 0.91 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1ajp n ASP 523 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ajp n GLN 524 N 0.69 2.17 -0.32 0.11 6.02 -0.14 -4.83 117.38 121.07 1ajp n GLN 524 Ca 0.14 -0.25 -0.03 0.00 -0.01 0.00 0.00 57.00 56.86 1ajp n GLN 524 Cb 0.42 -0.72 0.09 0.00 1.02 0.00 0.00 30.24 31.05 1ajp n GLN 524 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1ajp h LEU 525 N 0.00 1.01 -0.05 1.08 5.85 -1.51 -2.06 115.31 119.64 1ajp h LEU 525 Ca 0.00 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 1ajp h LEU 525 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1ajp h LEU 525 CO 0.00 0.74 -1.03 0.11 -0.34 0.00 0.00 178.44 177.92 1ajp h LYS 526 N 1.19 0.13 -0.93 1.25 1.79 -1.88 -2.86 116.57 115.25 1ajp h LYS 526 Ca 0.32 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1ajp h LYS 526 Cb -0.12 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 1ajp h LYS 526 CO -0.07 1.04 0.55 1.98 -1.08 0.00 0.00 179.45 181.87 1ajp h MET 527 N 0.05 1.28 0.57 3.15 4.05 -1.85 -1.94 114.93 120.23 1ajp h MET 527 Ca -0.06 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.21 1ajp h MET 527 Cb 1.75 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1ajp h MET 527 CO 0.15 0.91 -0.28 -0.92 0.23 0.00 0.00 176.91 177.00 1ajp h TYR 528 N 1.29 -0.72 -0.85 1.39 3.20 -1.16 -0.38 116.97 119.75 1ajp h TYR 528 Ca 0.33 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.33 1ajp h TYR 528 Cb -0.03 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 38.39 1ajp h TYR 528 CO 0.01 -0.45 0.44 1.49 -1.64 0.00 0.00 178.16 178.01 1ajp h GLU 529 N -0.77 0.62 -0.74 1.82 4.81 -1.30 -1.97 114.58 117.05 1ajp h GLU 529 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ajp h GLU 529 Cb 0.59 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1ajp h GLU 529 CO 0.12 0.41 0.00 0.09 -0.73 0.00 0.00 179.01 178.91 1ajp n ASN 530 N -4.86 3.53 -1.34 1.04 5.03 -0.75 -4.89 115.26 113.02 1ajp n ASN 530 Ca 0.17 -2.48 -0.16 0.00 0.87 0.00 0.00 54.58 52.98 1ajp n ASN 530 Cb 0.42 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.55 1ajp n ASN 530 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1ajp n PHE 531 N 0.37 -0.17 -1.83 3.10 3.72 -0.74 -5.00 117.46 116.91 1ajp n PHE 531 Ca 0.15 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.36 1ajp n PHE 531 Cb 0.75 -2.86 0.13 0.00 -0.94 0.00 0.00 39.48 36.55 1ajp n PHE 531 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ajp n GLY 532 N -1.04 -0.92 3.50 1.37 0.00 -0.17 -5.04 105.19 102.90 1ajp n GLY 532 Ca -0.16 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1ajp n GLY 532 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ajp s ARG 533 N -4.83 0.97 0.12 1.61 1.70 -1.26 -4.75 118.95 112.51 1ajp s ARG 533 Ca 0.50 -0.08 0.06 0.00 -0.47 0.00 0.00 55.73 55.74 1ajp s ARG 533 Cb -0.02 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1ajp s ARG 533 CO 0.35 -0.37 -0.01 -1.59 -1.08 0.00 0.00 175.30 172.60 1ajp s LYS 534 N -2.28 2.46 0.32 3.89 -2.85 -0.68 -4.91 119.74 115.69 1ajp s LYS 534 Ca -0.02 -0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 53.72 1ajp s LYS 534 Cb -0.01 -2.46 -0.10 0.00 -2.06 0.00 0.00 37.83 33.21 1ajp s LYS 534 CO -0.02 0.51 1.18 -1.12 0.10 0.00 0.00 175.35 176.00 1ajp s SER 535 N -2.52 6.96 -0.14 0.03 0.01 -1.26 -1.64 113.70 115.14 1ajp s SER 535 Ca 0.26 2.42 -0.10 0.00 1.31 0.00 0.00 55.95 59.84 1ajp s SER 535 Cb -0.11 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 1ajp s SER 535 CO 0.18 -0.37 0.19 -0.76 0.41 0.00 0.00 173.24 172.89 1ajp s LEU 536 N -1.76 4.31 0.08 2.44 1.43 -0.85 -4.87 118.68 119.46 1ajp s LEU 536 Ca 0.48 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1ajp s LEU 536 Cb -0.34 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1ajp s LEU 536 CO 0.44 0.26 0.08 0.26 0.23 0.00 0.00 176.35 177.63 1ajp s TRP 537 N -0.27 3.19 0.15 0.29 0.52 -1.26 -4.55 118.94 117.00 1ajp s TRP 537 Ca 0.14 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.33 1ajp s TRP 537 Cb -0.12 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1ajp s TRP 537 CO 0.03 0.52 0.00 -0.11 0.02 0.00 0.00 176.95 177.41 1ajp n LEU 538 N 0.41 0.78 -4.74 2.99 7.94 -1.26 -4.78 117.00 118.34 1ajp n LEU 538 Ca -0.09 0.23 -0.35 0.00 -1.11 0.00 0.00 56.01 54.69 1ajp n LEU 538 Cb 0.52 -0.15 0.06 0.00 0.53 0.00 0.00 43.42 44.38 1ajp n LEU 538 CO 0.44 -0.76 0.82 0.42 -1.11 0.00 0.00 177.39 177.19 1ajp s THR 539 N -1.98 2.54 0.17 1.96 -4.23 -1.26 -4.87 115.64 107.98 1ajp s THR 539 Ca 0.00 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1ajp s THR 539 Cb 0.00 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.92 1ajp s THR 539 CO 0.00 -0.11 1.78 0.11 -0.54 0.00 0.00 174.62 175.86 1ajp h LYS 540 N 0.33 0.45 -0.82 3.99 1.57 -1.98 0.18 116.57 120.29 1ajp h LYS 540 Ca -0.49 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1ajp h LYS 540 Cb 1.29 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1ajp h LYS 540 CO 0.53 0.30 0.41 0.37 -0.57 0.00 0.00 179.45 180.49 1ajp h GLN 541 N 0.46 1.16 -0.40 3.15 4.15 -1.99 0.29 115.11 121.93 1ajp h GLN 541 Ca 0.21 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 1ajp h GLN 541 Cb 0.12 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1ajp h GLN 541 CO -0.15 0.88 -0.24 -0.44 -1.93 0.00 0.00 178.83 176.96 1ajp h ASP 542 N 1.15 0.84 -0.51 -0.69 3.32 -1.80 0.37 116.42 119.10 1ajp h ASP 542 Ca 0.28 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1ajp h ASP 542 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1ajp h ASP 542 CO -0.04 1.04 -0.01 0.58 -1.72 0.00 0.00 179.24 179.09 1ajp h VAL 543 N 0.71 1.26 -0.42 -1.35 2.07 -0.19 -2.14 116.25 116.20 1ajp h VAL 543 Ca 0.09 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1ajp h VAL 543 Cb 0.77 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1ajp h VAL 543 CO 0.06 0.39 0.12 -0.33 0.02 0.00 0.00 177.57 177.83 1ajp h GLU 544 N 0.76 0.67 0.00 1.57 4.39 -0.36 -1.48 114.58 120.13 1ajp h GLU 544 Ca 0.14 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ajp h GLU 544 Cb 0.54 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1ajp h GLU 544 CO 0.03 0.66 -0.06 0.00 -1.16 0.00 0.00 179.01 178.48 1ajp h ALA 545 N 0.97 1.24 -0.21 3.43 0.00 -0.74 -2.72 119.26 121.23 1ajp h ALA 545 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ajp h ALA 545 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ajp h ALA 545 CO -0.00 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.05 1ajp n HIS 546 N -3.51 0.52 -1.83 0.00 8.25 -0.78 -5.03 115.22 112.84 1ajp n HIS 546 Ca -0.02 -0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 56.29 1ajp n HIS 546 Cb 0.19 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1ajp n HIS 546 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ajp s LYS 547 N -2.02 4.17 -0.10 -0.41 2.20 -0.63 -4.92 119.74 118.02 1ajp s LYS 547 Ca 0.29 2.50 0.18 0.00 -0.36 0.00 0.00 55.97 58.58 1ajp s LYS 547 Cb 0.22 -3.09 -0.27 0.00 -1.51 0.00 0.00 37.83 33.18 1ajp s LYS 547 CO 0.09 -0.65 0.26 -0.85 -0.36 0.00 0.00 175.35 173.83 1ajp n GLU 548 N 3.46 0.79 -3.73 4.03 0.28 -1.26 -5.06 120.64 119.15 1ajp n GLU 548 Ca 0.13 -0.10 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 1ajp n GLU 548 Cb 0.37 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 1ajp n GLU 548 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1ajp s SER 549 N -4.74 -0.31 -0.09 -1.84 1.04 -1.26 -5.18 113.70 101.31 1ajp s SER 549 Ca -0.08 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 1ajp s SER 549 Cb 0.09 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.88 1ajp s SER 549 CO 0.79 -1.16 0.23 -1.58 0.98 0.00 0.00 173.24 172.50 1ajp s GLN 550 N -3.73 0.25 -0.02 4.02 0.74 -1.26 -5.16 119.66 114.50 1ajp s GLN 550 Ca 0.09 0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.86 1ajp s GLN 550 Cb -0.04 0.07 0.03 0.00 1.10 0.00 0.00 33.01 34.18 1ajp s GLN 550 CO 0.01 -0.06 0.04 -2.00 -0.55 0.00 0.00 175.29 172.73 1ajp s GLU 551 N 0.37 -0.04 -0.06 1.67 2.12 -1.26 -5.15 118.70 116.35 1ajp s GLU 551 Ca -0.02 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1ajp s GLU 551 Cb -0.04 -0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.08 1ajp s GLU 551 CO -0.02 -0.18 -0.18 0.08 -0.54 0.00 0.00 175.26 174.42 1ajp s VAL 552 N 1.13 2.68 0.16 3.70 1.01 -1.26 -5.14 120.40 122.68 1ajp s VAL 552 Ca -0.08 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.16 1ajp s VAL 552 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1ajp s VAL 552 CO -0.03 0.57 -0.25 -0.76 0.00 0.00 0.00 175.10 174.63 1ajp s LEU 553 N -0.38 2.40 -0.20 3.92 1.43 -1.26 -5.12 118.68 119.48 1ajp s LEU 553 Ca 0.03 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1ajp s LEU 553 Cb -0.12 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.92 1ajp s LEU 553 CO 0.02 0.15 -0.14 -1.00 0.23 0.00 0.00 176.35 175.61 1ajp s HIS 554 N -1.36 2.72 -0.01 0.29 3.76 -1.26 -5.12 115.29 114.32 1ajp s HIS 554 Ca 0.18 -1.75 -0.03 0.00 -0.15 0.00 0.00 55.06 53.31 1ajp s HIS 554 Cb -0.09 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.79 1ajp s HIS 554 CO 0.08 -0.79 0.05 0.08 -0.85 0.00 0.00 174.74 173.31 1ajp s VAL 555 N 1.30 0.05 -0.07 -0.90 1.01 -1.26 -5.14 120.40 115.38 1ajp s VAL 555 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1ajp s VAL 555 Cb -0.16 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1ajp s VAL 555 CO -0.09 -0.22 -0.17 -1.58 0.00 0.00 0.00 175.10 173.04 1ajp s GLN 556 N -0.67 2.18 0.00 2.72 -0.44 -1.26 -5.36 119.66 116.83 1ajp s GLN 556 Ca -0.07 -0.61 0.00 0.00 -2.50 0.00 0.00 55.36 52.18 1ajp s GLN 556 Cb -0.05 -1.74 0.00 0.00 -1.64 0.00 0.00 33.01 29.58 1ajp s GLN 556 CO 0.00 0.12 0.47 -2.13 0.50 0.00 0.00 175.29 174.25