#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ai6 s ASN 2 N 0.00 3.14 -0.23 6.43 6.03 -0.40 -3.66 114.94 126.26 1ai6 s ASN 2 Ca 0.00 -1.21 -0.17 0.00 -1.03 0.00 0.00 52.86 50.46 1ai6 s ASN 2 Cb 0.00 -0.24 0.06 0.00 -3.03 0.00 0.00 41.25 38.05 1ai6 s ASN 2 CO 0.00 -0.30 0.58 -0.32 -2.03 0.00 0.00 177.10 175.03 1ai6 s MET 3 N -3.69 0.63 -0.09 3.55 1.75 -0.93 -1.13 119.30 119.40 1ai6 s MET 3 Ca 0.31 0.94 -0.01 0.00 -1.25 0.00 0.00 55.69 55.69 1ai6 s MET 3 Cb 0.04 0.20 0.03 0.00 2.84 0.00 0.00 34.83 37.93 1ai6 s MET 3 CO 0.14 -0.12 -0.04 1.67 -0.65 0.00 0.00 175.02 176.02 1ai6 s TRP 4 N 0.96 1.05 -0.19 4.11 -2.14 -0.79 -1.77 118.94 120.17 1ai6 s TRP 4 Ca -0.05 -0.43 -0.05 0.00 2.66 0.00 0.00 56.10 58.23 1ai6 s TRP 4 Cb -0.05 -0.99 -0.02 0.00 -3.10 0.00 0.00 33.47 29.30 1ai6 s TRP 4 CO -0.09 -0.41 -0.01 0.08 -2.66 0.00 0.00 176.95 173.87 1ai6 s VAL 5 N 1.80 3.92 -0.22 -0.66 1.01 1.00 -2.22 120.40 125.01 1ai6 s VAL 5 Ca 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1ai6 s VAL 5 Cb -0.12 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1ai6 s VAL 5 CO -0.06 0.44 -0.01 -0.63 0.00 0.00 0.00 175.10 174.84 1ai6 s ILE 6 N 0.87 3.65 0.25 2.22 1.01 0.18 -1.39 121.20 127.99 1ai6 s ILE 6 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1ai6 s ILE 6 Cb -0.14 -2.67 0.05 0.00 0.01 0.00 0.00 42.46 39.70 1ai6 s ILE 6 CO 0.02 0.40 0.34 0.61 0.00 0.00 0.00 174.94 176.32 1ai6 n GLY 7 N 4.77 0.76 0.40 6.18 0.00 -0.64 -1.20 105.19 115.46 1ai6 n GLY 7 Ca -0.18 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.81 1ai6 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ai6 h LYS 8 N 0.00 -0.02 0.00 1.61 1.57 -1.19 0.27 116.57 118.81 1ai6 h LYS 8 Ca -0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ai6 h LYS 8 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ai6 h LYS 8 CO 0.12 -0.01 -0.10 0.66 -0.57 0.00 0.00 179.45 179.55 1ai6 h SER 9 N -0.02 0.00 0.00 0.86 4.64 -1.88 -3.20 113.55 113.95 1ai6 h SER 9 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ai6 h SER 9 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ai6 h SER 9 CO -0.95 0.10 -1.48 0.29 -0.87 0.00 0.00 176.83 173.92 1ai6 n LYS 10 N -3.22 0.66 -2.85 4.77 5.02 -0.64 -4.89 118.16 117.01 1ai6 n LYS 10 Ca 0.01 -0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 1ai6 n LYS 10 Cb 0.37 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1ai6 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ai6 s ALA 11 N -3.12 3.19 -0.21 7.82 0.00 -0.01 -0.96 121.76 128.47 1ai6 s ALA 11 Ca -0.01 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1ai6 s ALA 11 Cb 0.13 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.17 1ai6 s ALA 11 CO 0.80 0.19 -0.15 -1.14 0.00 0.00 0.00 175.76 175.45 1ai6 s GLN 12 N -2.43 2.79 -0.26 0.00 2.00 0.58 -4.69 119.66 117.65 1ai6 s GLN 12 Ca 0.53 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.92 1ai6 s GLN 12 Cb -0.15 -2.72 0.00 0.00 0.80 0.00 0.00 33.01 30.94 1ai6 s GLN 12 CO 0.20 -0.32 0.00 -0.25 -0.50 0.00 0.00 175.29 174.41 1ai6 n ASP 13 N 4.58 -2.07 -3.65 6.67 8.00 -1.26 -4.25 116.55 124.57 1ai6 n ASP 13 Ca -0.19 0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1ai6 n ASP 13 Cb 0.48 -1.11 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 1ai6 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ai6 s ALA 14 N -2.13 -1.96 -0.13 2.24 0.00 -1.26 -1.83 121.76 116.69 1ai6 s ALA 14 Ca 0.00 0.63 0.16 0.00 0.00 0.00 0.00 51.96 52.75 1ai6 s ALA 14 Cb 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 23.12 23.30 1ai6 s ALA 14 CO 0.00 -0.96 0.37 1.63 0.00 0.00 0.00 175.76 176.81 1ai6 n LYS 15 N -0.41 0.66 -3.67 0.00 5.02 -0.16 -4.75 118.16 114.85 1ai6 n LYS 15 Ca -0.07 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 1ai6 n LYS 15 Cb 0.61 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1ai6 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ai6 s ALA 16 N -2.62 -1.22 -0.04 7.82 0.00 -1.15 -1.44 121.76 123.11 1ai6 s ALA 16 Ca -0.07 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1ai6 s ALA 16 Cb 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1ai6 s ALA 16 CO 0.83 -0.28 0.05 0.42 0.00 0.00 0.00 175.76 176.77 1ai6 s ILE 17 N -0.72 -0.04 -0.16 0.00 1.01 -0.34 -1.23 121.20 119.72 1ai6 s ILE 17 Ca -0.08 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 1ai6 s ILE 17 Cb -0.03 -0.18 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 1ai6 s ILE 17 CO 0.05 0.17 -0.13 -0.32 0.00 0.00 0.00 174.94 174.71 1ai6 s MET 18 N 1.92 3.29 -0.16 2.79 -2.45 -0.37 -0.65 119.30 123.68 1ai6 s MET 18 Ca 0.02 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1ai6 s MET 18 Cb -0.12 -2.69 0.02 0.00 1.25 0.00 0.00 34.83 33.29 1ai6 s MET 18 CO -0.03 0.03 -0.15 0.08 1.05 0.00 0.00 175.02 176.00 1ai6 s VAL 19 N 0.80 1.65 -0.02 10.11 1.01 -0.94 -1.65 120.40 131.36 1ai6 s VAL 19 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1ai6 s VAL 19 Cb -0.15 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1ai6 s VAL 19 CO 0.01 0.46 -0.25 0.21 0.00 0.00 0.00 175.10 175.53 1ai6 s ASN 20 N 1.45 2.91 -0.42 3.32 3.84 -0.82 -1.88 114.94 123.35 1ai6 s ASN 20 Ca 0.05 -0.45 0.05 0.00 0.21 0.00 0.00 52.86 52.72 1ai6 s ASN 20 Cb -0.13 -0.33 0.19 0.00 -0.55 0.00 0.00 41.25 40.42 1ai6 s ASN 20 CO -0.11 0.30 0.39 0.61 -2.79 0.00 0.00 177.10 175.50 1ai6 n GLY 21 N 2.48 2.37 3.74 1.21 0.00 -0.28 -2.61 105.19 112.10 1ai6 n GLY 21 Ca -0.16 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1ai6 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ai6 s PRO 22 N -0.27 4.28 -0.32 1.61 0.04 -1.25 -1.27 135.00 137.82 1ai6 s PRO 22 Ca 0.33 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1ai6 s PRO 22 Cb 0.06 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.55 1ai6 s PRO 22 CO -0.18 -0.42 0.03 -0.65 0.04 0.00 0.00 177.00 175.82 1ai6 s GLN 23 N -0.18 2.11 0.00 4.56 -0.21 -1.26 -0.95 119.66 123.73 1ai6 s GLN 23 Ca 0.60 -1.52 0.03 0.00 0.02 0.00 0.00 55.36 54.49 1ai6 s GLN 23 Cb -0.41 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.41 1ai6 s GLN 23 CO 0.41 -0.76 0.54 1.19 -2.12 0.00 0.00 175.29 174.55 1ai6 n PHE 24 N 4.50 0.00 0.00 0.91 3.72 -1.26 -4.61 117.46 120.72 1ai6 n PHE 24 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1ai6 n PHE 24 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1ai6 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ai6 n GLY 25 N 0.26 0.67 2.93 1.37 0.00 -1.26 -5.00 105.19 104.17 1ai6 n GLY 25 Ca 0.02 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 1ai6 n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ai6 s TRP 26 N -1.12 1.52 0.17 1.61 0.51 -1.26 -4.62 118.94 115.75 1ai6 s TRP 26 Ca 0.00 -0.73 0.06 0.00 -2.12 0.00 0.00 56.10 53.30 1ai6 s TRP 26 Cb 0.00 -1.23 -0.05 0.00 -0.81 0.00 0.00 33.47 31.39 1ai6 s TRP 26 CO 0.00 -0.48 -0.11 0.71 -0.51 0.00 0.00 176.95 176.55 1ai6 s TYR 27 N 1.52 1.42 -0.08 -1.98 2.02 -1.26 -1.79 117.35 117.20 1ai6 s TYR 27 Ca 0.02 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1ai6 s TYR 27 Cb -0.13 -0.70 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1ai6 s TYR 27 CO -0.06 0.17 -0.08 0.00 -1.57 0.00 0.00 175.55 174.00 1ai6 s ALA 28 N -3.21 1.16 1.05 3.71 0.00 0.11 -3.58 121.76 121.00 1ai6 s ALA 28 Ca 0.19 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1ai6 s ALA 28 Cb 0.02 -0.69 0.22 0.00 0.00 0.00 0.00 23.12 22.66 1ai6 s ALA 28 CO 0.03 -0.15 1.08 -1.25 0.00 0.00 0.00 175.76 175.46 1ai6 s PRO 29 N 1.20 0.03 0.36 0.00 0.04 -1.26 -4.20 135.00 131.16 1ai6 s PRO 29 Ca -0.05 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.34 1ai6 s PRO 29 Cb -0.14 -1.68 -0.13 0.00 0.04 0.00 0.00 34.50 32.59 1ai6 s PRO 29 CO -0.02 -3.02 0.81 0.00 0.04 0.00 0.00 177.00 174.81 1ai6 n ALA 30 N -4.39 -0.79 -0.14 8.56 0.00 -1.23 -4.92 120.51 117.60 1ai6 n ALA 30 Ca 0.05 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1ai6 n ALA 30 Cb 0.56 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1ai6 n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1ai6 h TYR 31 N 1.38 1.05 -1.53 0.00 3.20 -1.83 -3.45 116.97 115.80 1ai6 h TYR 31 Ca -0.40 -0.27 -0.46 0.00 3.14 0.00 0.00 58.73 60.74 1ai6 h TYR 31 Cb 1.37 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1ai6 h TYR 31 CO 0.42 1.07 -0.34 0.95 -1.64 0.00 0.00 178.16 178.63 1ai6 s THR 32 N -4.59 2.95 -0.08 1.81 -4.23 -1.26 -2.14 115.64 108.11 1ai6 s THR 32 Ca -0.12 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1ai6 s THR 32 Cb 0.11 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1ai6 s THR 32 CO 0.86 -0.02 -0.05 -0.47 -0.54 0.00 0.00 174.62 174.39 1ai6 s TYR 33 N -2.39 1.06 0.20 3.99 5.04 -0.00 -4.86 117.35 120.38 1ai6 s TYR 33 Ca 0.50 -0.41 -0.30 0.00 -2.44 0.00 0.00 57.07 54.42 1ai6 s TYR 33 Cb -0.06 -0.94 -0.08 0.00 0.35 0.00 0.00 41.96 41.22 1ai6 s TYR 33 CO 0.30 -0.35 0.96 0.20 -1.34 0.00 0.00 175.55 175.32 1ai6 s GLY 34 N 1.44 3.07 -0.27 8.97 0.00 -1.26 -2.35 107.32 116.92 1ai6 s GLY 34 Ca -0.02 0.63 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 1ai6 s GLY 34 CO -0.04 1.31 0.75 -1.50 0.00 0.00 0.00 173.10 173.63 1ai6 s ILE 35 N -0.77 0.00 -0.06 0.90 1.10 -0.94 -5.00 121.20 116.43 1ai6 s ILE 35 Ca 0.43 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.63 1ai6 s ILE 35 Cb -0.26 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.35 1ai6 s ILE 35 CO 0.32 0.00 -0.23 -0.83 -2.11 0.00 0.00 174.94 172.09 1ai6 s GLY 36 N 0.61 1.19 -0.14 1.50 0.00 -1.26 -2.84 107.32 106.38 1ai6 s GLY 36 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 1ai6 s GLY 36 CO -0.04 -0.51 -0.07 1.08 0.00 0.00 0.00 173.10 173.57 1ai6 s LEU 37 N -0.02 1.37 -0.33 0.66 1.43 -0.25 -4.99 118.68 116.54 1ai6 s LEU 37 Ca -0.06 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1ai6 s LEU 37 Cb -0.14 -0.87 0.11 0.00 0.03 0.00 0.00 46.19 45.31 1ai6 s LEU 37 CO 0.04 -0.15 0.12 -1.00 0.23 0.00 0.00 176.35 175.59 1ai6 s HIS 38 N 1.68 1.91 0.00 0.29 3.76 -1.26 -0.61 115.29 121.06 1ai6 s HIS 38 Ca 0.03 -1.95 0.00 0.00 -0.15 0.00 0.00 55.06 52.99 1ai6 s HIS 38 Cb -0.14 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1ai6 s HIS 38 CO -0.08 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.35 1ai6 n GLY 39 N 4.57 3.48 3.26 -2.22 0.00 0.64 -5.00 105.19 109.93 1ai6 n GLY 39 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1ai6 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ai6 n ALA 40 N -1.65 -1.05 0.00 4.61 0.00 -1.26 -1.14 120.51 120.01 1ai6 n ALA 40 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ai6 n ALA 40 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 15.85 1ai6 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ai6 n GLY 41 N -1.43 3.31 3.78 0.00 0.00 -1.26 -5.05 105.19 104.53 1ai6 n GLY 41 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ai6 n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ai6 s TYR 42 N -2.95 3.68 -0.44 1.61 2.02 -0.30 -4.86 117.35 116.10 1ai6 s TYR 42 Ca 0.00 1.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.86 1ai6 s TYR 42 Cb 0.00 -2.51 0.19 0.00 -0.40 0.00 0.00 41.96 39.23 1ai6 s TYR 42 CO 0.00 0.42 0.49 -3.47 -1.57 0.00 0.00 175.55 171.42 1ai6 n ASP 43 N 2.56 -1.40 -4.22 2.29 2.03 -1.20 -0.26 116.55 116.35 1ai6 n ASP 43 Ca -0.09 -2.60 -0.17 0.00 0.52 0.00 0.00 54.79 52.45 1ai6 n ASP 43 Cb 0.51 0.21 -0.11 0.00 -0.72 0.00 0.00 41.12 41.01 1ai6 n ASP 43 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ai6 s VAL 44 N 0.21 1.23 -0.04 5.18 -7.23 0.22 -4.35 120.40 115.62 1ai6 s VAL 44 Ca 0.32 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1ai6 s VAL 44 Cb 0.05 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1ai6 s VAL 44 CO -0.15 -0.44 0.11 0.28 -0.31 0.00 0.00 175.10 174.59 1ai6 s THR 45 N -2.16 0.01 -4.37 5.32 -1.32 -0.84 -1.09 115.64 111.19 1ai6 s THR 45 Ca 0.07 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1ai6 s THR 45 Cb -0.05 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1ai6 s THR 45 CO 0.02 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1ai6 n GLY 46 N 2.89 -0.52 3.17 6.08 0.00 -1.13 -1.60 105.19 114.07 1ai6 n GLY 46 Ca -0.13 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1ai6 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ai6 s ASN 47 N -4.00 0.08 -0.19 1.61 2.20 -0.23 -2.21 114.94 112.20 1ai6 s ASN 47 Ca 0.00 -0.44 -0.18 0.00 -0.94 0.00 0.00 52.86 51.30 1ai6 s ASN 47 Cb 0.00 0.28 0.05 0.00 -2.00 0.00 0.00 41.25 39.58 1ai6 s ASN 47 CO 0.00 -0.56 0.52 0.28 -2.94 0.00 0.00 177.10 174.39 1ai6 s THR 48 N -2.72 0.00 0.30 0.54 -1.32 -0.99 -2.25 115.64 109.21 1ai6 s THR 48 Ca -0.04 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 1ai6 s THR 48 Cb -0.00 -0.73 -0.11 0.00 -1.51 0.00 0.00 72.50 70.15 1ai6 s THR 48 CO -0.05 -0.01 1.58 -2.84 -2.21 0.00 0.00 174.62 171.09 1ai6 s PRO 49 N 0.19 4.12 -1.04 7.08 0.02 -1.26 -0.82 135.00 143.29 1ai6 s PRO 49 Ca -0.01 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 1ai6 s PRO 49 Cb -0.04 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.48 1ai6 s PRO 49 CO 0.01 -0.62 0.08 1.19 -0.33 0.00 0.00 177.00 177.33 1ai6 n PHE 50 N 1.97 -1.51 -4.16 6.54 3.72 -0.91 -2.25 117.46 120.86 1ai6 n PHE 50 Ca 0.07 0.08 -0.35 0.00 -0.05 0.00 0.00 57.45 57.20 1ai6 n PHE 50 Cb 0.38 -2.73 -0.02 0.00 -0.94 0.00 0.00 39.48 36.17 1ai6 n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ai6 n ALA 51 N -2.44 -1.24 -1.46 4.37 0.00 -1.11 -4.91 120.51 113.72 1ai6 n ALA 51 Ca -0.12 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1ai6 n ALA 51 Cb 0.60 -3.60 0.03 0.00 0.00 0.00 0.00 19.45 16.48 1ai6 n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ai6 n TYR 52 N -4.39 -0.72 -0.33 0.00 4.01 -0.95 -4.82 117.16 109.94 1ai6 n TYR 52 Ca 0.08 0.45 0.16 0.00 -0.16 0.00 0.00 57.90 58.43 1ai6 n TYR 52 Cb 0.49 -1.95 0.36 0.00 -0.31 0.00 0.00 39.34 37.93 1ai6 n TYR 52 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1ai6 h PRO 53 N 0.28 0.53 -5.49 -0.72 0.11 -1.94 -3.39 132.00 121.38 1ai6 h PRO 53 Ca -0.45 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 64.99 1ai6 h PRO 53 Cb 1.40 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 1ai6 h PRO 53 CO 0.47 0.35 -0.49 0.20 -0.21 0.00 0.00 178.00 178.32 1ai6 s GLY 54 N -3.87 2.09 -0.33 -0.55 0.00 -1.26 -4.89 107.32 98.49 1ai6 s GLY 54 Ca -0.11 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 1ai6 s GLY 54 CO 0.79 -0.17 1.20 1.08 0.00 0.00 0.00 173.10 176.01 1ai6 s LEU 55 N -0.42 3.86 0.31 0.66 1.02 -1.26 -4.87 118.68 117.99 1ai6 s LEU 55 Ca 0.12 1.04 0.14 0.00 0.02 0.00 0.00 54.13 55.45 1ai6 s LEU 55 Cb -0.12 -3.54 0.46 0.00 0.02 0.00 0.00 46.19 43.01 1ai6 s LEU 55 CO 0.01 -1.04 1.65 0.58 0.02 0.00 0.00 176.35 177.57 1ai6 h VAL 56 N 5.92 1.22 -3.21 -1.59 2.07 -1.91 -3.42 116.25 115.33 1ai6 h VAL 56 Ca -0.24 -1.92 -0.56 0.00 0.82 0.00 0.00 66.70 64.81 1ai6 h VAL 56 Cb 1.08 2.08 -0.36 0.00 -1.52 0.00 0.00 31.29 32.58 1ai6 h VAL 56 CO 1.05 0.52 -0.82 -0.36 0.02 0.00 0.00 177.57 177.98 1ai6 s PHE 57 N -3.57 1.76 -3.83 1.57 0.08 -0.95 -4.29 117.98 108.74 1ai6 s PHE 57 Ca -0.01 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.17 1ai6 s PHE 57 Cb 0.12 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1ai6 s PHE 57 CO 0.73 -0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1ai6 n GLY 58 N 4.60 -1.50 3.34 4.36 0.00 -1.21 -1.07 105.19 113.71 1ai6 n GLY 58 Ca -0.16 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1ai6 n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ai6 s HIS 59 N -2.87 0.31 -0.07 1.61 -3.43 -0.63 -2.01 115.29 108.20 1ai6 s HIS 59 Ca 0.00 -0.68 0.07 0.00 -0.80 0.00 0.00 55.06 53.65 1ai6 s HIS 59 Cb 0.00 -0.01 0.11 0.00 -1.43 0.00 0.00 32.58 31.25 1ai6 s HIS 59 CO 0.00 -0.72 1.06 0.27 -2.00 0.00 0.00 174.74 173.35 1ai6 n ASN 60 N -0.21 2.17 0.00 7.38 0.23 -0.84 -1.99 115.26 122.01 1ai6 n ASN 60 Ca -0.09 -2.37 0.00 0.00 -0.53 0.00 0.00 54.58 51.60 1ai6 n ASN 60 Cb 0.63 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1ai6 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ai6 n GLY 61 N -0.77 2.83 0.85 4.83 0.00 -1.26 -4.76 105.19 106.91 1ai6 n GLY 61 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1ai6 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ai6 n VAL 62 N -2.00 0.36 -4.50 1.61 0.31 -1.26 -4.83 118.33 108.03 1ai6 n VAL 62 Ca 0.00 -0.03 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 1ai6 n VAL 62 Cb 0.00 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.25 1ai6 n VAL 62 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ai6 s ILE 63 N -2.10 2.38 0.10 2.52 -4.36 -1.26 -0.42 121.20 118.06 1ai6 s ILE 63 Ca -0.07 -2.30 0.04 0.00 -0.26 0.00 0.00 60.65 58.06 1ai6 s ILE 63 Cb 0.03 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 1ai6 s ILE 63 CO 0.09 -0.30 -0.11 -0.94 0.24 0.00 0.00 174.94 173.91 1ai6 s SER 64 N -3.56 1.60 0.06 4.36 1.04 -0.05 -1.98 113.70 115.16 1ai6 s SER 64 Ca 0.31 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 1ai6 s SER 64 Cb -0.01 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1ai6 s SER 64 CO 0.16 -0.22 -0.03 -1.66 0.98 0.00 0.00 173.24 172.47 1ai6 s TRP 65 N -2.25 0.59 0.25 5.02 -2.14 -0.85 -1.75 118.94 117.80 1ai6 s TRP 65 Ca 0.05 -1.05 -0.22 0.00 2.66 0.00 0.00 56.10 57.55 1ai6 s TRP 65 Cb -0.04 -0.41 0.03 0.00 -3.10 0.00 0.00 33.47 29.95 1ai6 s TRP 65 CO 0.01 -0.34 0.76 0.20 -2.66 0.00 0.00 176.95 174.92 1ai6 s GLY 66 N -2.94 -0.14 0.05 3.67 0.00 -1.04 -3.35 107.32 103.57 1ai6 s GLY 66 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.57 1ai6 s GLY 66 CO -0.09 -0.06 0.08 -0.45 0.00 0.00 0.00 173.10 172.58 1ai6 s SER 67 N -2.91 0.26 0.01 1.64 0.15 -1.26 -1.25 113.70 110.33 1ai6 s SER 67 Ca 0.11 -0.70 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1ai6 s SER 67 Cb -0.05 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1ai6 s SER 67 CO 0.05 -0.58 0.08 0.42 1.20 0.00 0.00 173.24 174.41 1ai6 s THR 68 N -3.25 0.09 0.25 6.45 -4.23 -0.61 -4.78 115.64 109.57 1ai6 s THR 68 Ca 0.01 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.48 1ai6 s THR 68 Cb 0.03 -0.37 -0.11 0.00 1.34 0.00 0.00 72.50 73.39 1ai6 s THR 68 CO -0.08 -0.40 1.52 0.00 -0.54 0.00 0.00 174.62 175.12 1ai6 s ALA 69 N -1.36 3.70 -0.14 3.99 0.00 -1.26 -0.59 121.76 126.10 1ai6 s ALA 69 Ca -0.15 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 1ai6 s ALA 69 Cb -0.08 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1ai6 s ALA 69 CO 0.01 -0.84 -0.28 0.41 0.00 0.00 0.00 175.76 175.06 1ai6 n GLY 70 N 2.41 -0.53 3.18 0.00 0.00 -1.16 -4.60 105.19 104.49 1ai6 n GLY 70 Ca 0.08 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1ai6 n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ai6 n PHE 71 N -4.07 -1.99 -2.06 1.61 3.72 -1.25 -4.91 117.46 108.51 1ai6 n PHE 71 Ca -0.11 0.55 -0.28 0.00 -0.05 0.00 0.00 57.45 57.56 1ai6 n PHE 71 Cb 0.41 -4.09 0.15 0.00 -0.94 0.00 0.00 39.48 35.01 1ai6 n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ai6 s GLY 72 N -2.77 1.74 -0.49 1.37 0.00 -1.26 -0.50 107.32 105.41 1ai6 s GLY 72 Ca 0.36 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 1ai6 s GLY 72 CO 0.45 -0.52 0.50 -0.35 0.00 0.00 0.00 173.10 173.18 1ai6 s ASP 73 N -4.78 6.18 -0.03 1.64 -1.08 -1.26 -3.95 116.67 113.39 1ai6 s ASP 73 Ca 0.70 -1.19 0.04 0.00 -0.52 0.00 0.00 52.55 51.58 1ai6 s ASP 73 Cb -0.06 -2.23 0.07 0.00 -1.46 0.00 0.00 42.92 39.24 1ai6 s ASP 73 CO 0.50 -0.77 0.94 -0.90 0.52 0.00 0.00 175.17 175.46 1ai6 n ASP 74 N 5.63 1.52 -4.00 -0.34 5.68 -1.26 -4.72 116.55 119.05 1ai6 n ASP 74 Ca -0.10 -2.07 -0.23 0.00 -0.50 0.00 0.00 54.79 51.89 1ai6 n ASP 74 Cb 0.44 -0.12 -0.16 0.00 -1.14 0.00 0.00 41.12 40.14 1ai6 n ASP 74 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ai6 s VAL 75 N -1.16 1.00 0.12 2.12 1.01 -1.26 -1.37 120.40 120.86 1ai6 s VAL 75 Ca 0.07 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1ai6 s VAL 75 Cb 0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1ai6 s VAL 75 CO 0.01 0.32 -0.12 -1.81 0.00 0.00 0.00 175.10 173.51 1ai6 s ASP 76 N 0.70 1.76 -0.15 3.32 1.01 -0.45 -4.94 116.67 117.92 1ai6 s ASP 76 Ca -0.14 -0.88 -0.05 0.00 0.71 0.00 0.00 52.55 52.20 1ai6 s ASP 76 Cb -0.15 -0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.72 1ai6 s ASP 76 CO 0.03 -0.24 -0.00 -0.63 0.21 0.00 0.00 175.17 174.54 1ai6 s ILE 77 N -2.61 4.20 -0.23 0.77 -1.09 -1.26 -0.76 121.20 120.22 1ai6 s ILE 77 Ca 0.10 -0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.21 1ai6 s ILE 77 Cb -0.02 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1ai6 s ILE 77 CO 0.01 0.50 0.05 -0.36 -1.23 0.00 0.00 174.94 173.91 1ai6 s PHE 78 N 0.21 3.08 -0.47 3.97 0.40 0.11 -1.85 117.98 123.43 1ai6 s PHE 78 Ca -0.00 -0.43 -0.26 0.00 -0.60 0.00 0.00 56.93 55.63 1ai6 s PHE 78 Cb -0.13 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1ai6 s PHE 78 CO 0.02 -0.31 0.97 0.00 0.70 0.00 0.00 175.22 176.60 1ai6 s ALA 79 N 1.39 3.21 -0.01 5.36 0.00 0.31 -1.12 121.76 130.89 1ai6 s ALA 79 Ca 0.05 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1ai6 s ALA 79 Cb -0.15 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 1ai6 s ALA 79 CO 0.03 -2.13 0.40 -1.21 0.00 0.00 0.00 175.76 172.85 1ai6 s GLU 80 N 3.93 3.95 -0.54 0.00 0.41 0.25 0.13 118.70 126.82 1ai6 s GLU 80 Ca 0.39 0.39 -0.26 0.00 -0.41 0.00 0.00 54.97 55.09 1ai6 s GLU 80 Cb -0.09 -3.24 0.03 0.00 -1.78 0.00 0.00 34.13 29.05 1ai6 s GLU 80 CO 0.27 0.64 1.04 0.50 -0.49 0.00 0.00 175.26 177.23 1ai6 s ARG 81 N -0.92 3.45 0.78 1.61 3.52 -1.26 -0.88 118.95 125.25 1ai6 s ARG 81 Ca 0.23 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.84 1ai6 s ARG 81 Cb -0.16 -4.01 0.16 0.00 -1.56 0.00 0.00 34.95 29.37 1ai6 s ARG 81 CO 0.13 -1.51 1.07 -0.51 -0.81 0.00 0.00 175.30 173.66 1ai6 s LEU 82 N 4.30 2.91 -0.03 -0.88 1.43 -0.52 -1.95 118.68 123.95 1ai6 s LEU 82 Ca 0.37 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1ai6 s LEU 82 Cb -0.10 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1ai6 s LEU 82 CO 0.23 -2.10 0.02 -0.55 0.23 0.00 0.00 176.35 174.18 1ai6 s SER 83 N -4.82 0.43 0.22 2.29 0.15 -1.26 -4.92 113.70 105.79 1ai6 s SER 83 Ca 0.69 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 57.27 1ai6 s SER 83 Cb -0.04 -0.17 0.35 0.00 -1.71 0.00 0.00 66.02 64.46 1ai6 s SER 83 CO 0.46 -0.13 1.70 0.00 1.20 0.00 0.00 173.24 176.47 1ai6 h ALA 84 N 7.46 0.80 -3.28 5.45 0.00 -1.98 -3.32 119.26 124.39 1ai6 h ALA 84 Ca -0.39 0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.04 1ai6 h ALA 84 Cb 1.13 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 1ai6 h ALA 84 CO 0.43 -0.30 -0.57 -1.83 0.00 0.00 0.00 179.25 176.98 1ai6 s GLU 85 N -6.09 3.96 0.00 0.00 -1.05 -1.26 -4.51 118.70 109.75 1ai6 s GLU 85 Ca -0.13 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1ai6 s GLU 85 Cb 0.19 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1ai6 s GLU 85 CO 0.75 0.27 0.00 0.36 0.95 0.00 0.00 175.26 177.59 1ai6 n LYS 86 N 3.52 0.00 -2.40 -4.83 2.85 -1.26 -5.07 118.16 110.98 1ai6 n LYS 86 Ca -0.17 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.74 1ai6 n LYS 86 Cb 0.52 -1.52 -0.02 0.00 -0.65 0.00 0.00 35.03 33.36 1ai6 n LYS 86 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ai6 s PRO 87 N -2.47 3.67 0.00 -1.58 0.04 -1.25 -3.35 135.00 130.05 1ai6 s PRO 87 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1ai6 s PRO 87 Cb 0.00 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ai6 s PRO 87 CO 0.00 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1ai6 n GLY 88 N 0.06 0.74 3.46 0.56 0.00 -1.26 -5.04 105.19 103.70 1ai6 n GLY 88 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1ai6 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ai6 s TYR 89 N -2.19 2.17 -0.08 1.61 1.51 -1.21 -1.00 117.35 118.17 1ai6 s TYR 89 Ca 0.00 -0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 55.36 1ai6 s TYR 89 Cb 0.00 -1.06 0.05 0.00 -0.11 0.00 0.00 41.96 40.85 1ai6 s TYR 89 CO 0.00 0.57 0.56 1.52 -1.11 0.00 0.00 175.55 177.09 1ai6 s TYR 90 N -2.68 -0.53 -0.19 2.71 1.13 0.87 -4.45 117.35 114.21 1ai6 s TYR 90 Ca 0.29 0.99 -0.29 0.00 -1.41 0.00 0.00 57.07 56.65 1ai6 s TYR 90 Cb -0.02 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1ai6 s TYR 90 CO 0.13 -0.49 1.04 -1.17 -2.51 0.00 0.00 175.55 172.56 1ai6 s LEU 91 N -0.92 4.15 -0.12 -3.49 2.96 -0.82 -0.85 118.68 119.59 1ai6 s LEU 91 Ca -0.09 1.44 -0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1ai6 s LEU 91 Cb -0.02 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.18 1ai6 s LEU 91 CO 0.07 -0.61 0.23 -2.28 -1.32 0.00 0.00 176.35 172.44 1ai6 s HIS 92 N 2.87 -0.35 -1.38 5.38 5.65 -0.54 -4.23 115.29 122.68 1ai6 s HIS 92 Ca 0.46 0.86 -0.03 0.00 0.25 0.00 0.00 55.06 56.60 1ai6 s HIS 92 Cb -0.16 -0.10 0.02 0.00 -1.18 0.00 0.00 32.58 31.15 1ai6 s HIS 92 CO 0.10 -0.34 0.71 0.09 -0.65 0.00 0.00 174.74 174.65 1ai6 n ASN 93 N 5.34 -1.78 -0.07 9.88 5.03 -0.14 -2.79 115.26 130.73 1ai6 n ASN 93 Ca -0.06 -0.84 -0.01 0.00 0.87 0.00 0.00 54.58 54.54 1ai6 n ASN 93 Cb 0.50 -3.84 -0.00 0.00 -1.02 0.00 0.00 39.78 35.41 1ai6 n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ai6 n GLY 94 N -1.66 0.48 3.15 7.41 0.00 -1.26 -5.03 105.19 108.28 1ai6 n GLY 94 Ca -0.23 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1ai6 n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ai6 s LYS 95 N -0.83 0.81 -0.69 1.61 -2.85 -1.12 -5.11 119.74 111.56 1ai6 s LYS 95 Ca 0.00 -1.34 -0.16 0.00 -1.00 0.00 0.00 55.97 53.47 1ai6 s LYS 95 Cb 0.00 -0.05 0.16 0.00 -2.06 0.00 0.00 37.83 35.88 1ai6 s LYS 95 CO 0.00 -0.08 0.69 -1.58 0.10 0.00 0.00 175.35 174.48 1ai6 s TRP 96 N -3.76 3.38 0.26 1.78 0.52 -1.26 -1.47 118.94 118.39 1ai6 s TRP 96 Ca 0.13 -1.50 -0.28 0.00 0.02 0.00 0.00 56.10 54.47 1ai6 s TRP 96 Cb 0.06 -3.89 -0.09 0.00 -1.15 0.00 0.00 33.47 28.40 1ai6 s TRP 96 CO -0.05 -1.10 0.92 0.08 0.02 0.00 0.00 176.95 176.82 1ai6 s VAL 97 N 1.37 4.16 0.30 4.03 1.01 -0.03 -4.71 120.40 126.53 1ai6 s VAL 97 Ca 0.13 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1ai6 s VAL 97 Cb -0.19 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1ai6 s VAL 97 CO -0.02 0.37 0.76 -0.75 0.00 0.00 0.00 175.10 175.46 1ai6 s LYS 98 N -1.49 4.11 0.31 2.72 2.20 -1.26 -0.09 119.74 126.23 1ai6 s LYS 98 Ca 0.44 0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 56.60 1ai6 s LYS 98 Cb -0.23 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 1ai6 s LYS 98 CO 0.28 0.21 0.87 -1.64 -0.36 0.00 0.00 175.35 174.72 1ai6 s MET 99 N -2.69 4.43 0.44 4.03 -1.94 -0.17 -4.92 119.30 118.48 1ai6 s MET 99 Ca 0.52 1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 55.41 1ai6 s MET 99 Cb -0.12 -2.74 -0.08 0.00 2.01 0.00 0.00 34.83 33.90 1ai6 s MET 99 CO 0.18 0.27 1.14 -0.51 -0.01 0.00 0.00 175.02 176.10 1ai6 s LEU 100 N -2.20 4.05 0.05 -0.03 1.43 -0.27 -4.91 118.68 116.80 1ai6 s LEU 100 Ca 0.50 2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 55.71 1ai6 s LEU 100 Cb -0.17 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.86 1ai6 s LEU 100 CO 0.21 -0.82 0.33 -0.94 0.23 0.00 0.00 176.35 175.37 1ai6 s SER 101 N -1.38 -0.16 -0.07 2.29 1.04 -1.26 -1.24 113.70 112.92 1ai6 s SER 101 Ca 0.62 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 1ai6 s SER 101 Cb -0.27 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1ai6 s SER 101 CO 0.34 -0.65 0.39 0.00 0.98 0.00 0.00 173.24 174.30 1ai6 s ARG 102 N -2.64 0.65 -0.06 4.02 1.70 -0.72 -4.98 118.95 116.92 1ai6 s ARG 102 Ca -0.04 0.12 -0.02 0.00 -0.47 0.00 0.00 55.73 55.32 1ai6 s ARG 102 Cb -0.01 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1ai6 s ARG 102 CO -0.04 -0.16 0.06 -1.21 -1.08 0.00 0.00 175.30 172.87 1ai6 s GLU 103 N -0.78 3.11 -0.03 3.89 2.02 -1.26 -1.45 118.70 124.19 1ai6 s GLU 103 Ca -0.09 -0.38 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1ai6 s GLU 103 Cb -0.04 -2.90 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 1ai6 s GLU 103 CO 0.04 0.70 -0.13 -1.21 0.02 0.00 0.00 175.26 174.67 1ai6 s GLU 104 N -1.25 1.32 -0.14 1.61 0.41 0.45 -4.98 118.70 116.12 1ai6 s GLU 104 Ca 0.17 -0.46 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 1ai6 s GLU 104 Cb -0.12 -1.20 -0.00 0.00 -1.78 0.00 0.00 34.13 31.04 1ai6 s GLU 104 CO 0.07 0.20 -0.18 0.99 -0.49 0.00 0.00 175.26 175.86 1ai6 s THR 105 N 0.02 2.50 -0.41 3.63 2.01 -1.26 -1.73 115.64 120.41 1ai6 s THR 105 Ca -0.02 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 1ai6 s THR 105 Cb -0.09 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1ai6 s THR 105 CO 0.01 0.53 0.31 -0.63 -0.69 0.00 0.00 174.62 174.14 1ai6 s ILE 106 N 0.69 5.25 0.19 1.82 -1.09 0.43 -4.93 121.20 123.56 1ai6 s ILE 106 Ca -0.08 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.39 1ai6 s ILE 106 Cb -0.16 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 1ai6 s ILE 106 CO 0.02 -0.31 0.98 -0.89 -1.23 0.00 0.00 174.94 173.50 1ai6 s THR 107 N 1.70 4.14 -0.21 2.92 2.01 -1.26 -1.00 115.64 123.93 1ai6 s THR 107 Ca 0.05 1.98 0.01 0.00 0.31 0.00 0.00 61.69 64.05 1ai6 s THR 107 Cb -0.19 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.10 1ai6 s THR 107 CO 0.10 0.40 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 1ai6 s VAL 108 N -0.69 1.85 -0.10 3.82 1.01 -1.26 -4.99 120.40 120.04 1ai6 s VAL 108 Ca 0.44 -1.16 -0.34 0.00 0.00 0.00 0.00 61.98 60.92 1ai6 s VAL 108 Cb -0.26 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.11 1ai6 s VAL 108 CO 0.32 0.18 1.89 1.17 0.00 0.00 0.00 175.10 178.67 1ai6 n LYS 109 N 4.61 2.16 -3.04 2.72 3.00 -1.26 -1.33 118.16 125.01 1ai6 n LYS 109 Ca -0.16 0.79 -0.17 0.00 -0.00 0.00 0.00 58.31 58.77 1ai6 n LYS 109 Cb 0.46 -2.64 0.04 0.00 0.00 0.00 0.00 35.03 32.89 1ai6 n LYS 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ai6 n ASN 110 N 6.75 -5.12 -3.34 3.14 3.02 -1.26 -4.98 115.26 113.47 1ai6 n ASN 110 Ca 0.23 -0.30 -0.11 0.00 -0.03 0.00 0.00 54.58 54.38 1ai6 n ASN 110 Cb 0.29 -3.87 -0.02 0.00 -0.61 0.00 0.00 39.78 35.58 1ai6 n ASN 110 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ai6 s GLY 111 N -2.98 0.74 0.50 7.41 0.00 -0.45 -5.16 107.32 107.39 1ai6 s GLY 111 Ca 0.32 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 1ai6 s GLY 111 CO 0.39 -0.59 1.01 1.62 0.00 0.00 0.00 173.10 175.53 1ai6 s GLN 112 N -3.06 3.85 0.67 2.90 0.74 -1.26 -4.58 119.66 118.91 1ai6 s GLN 112 Ca 0.22 1.16 -0.11 0.00 0.05 0.00 0.00 55.36 56.67 1ai6 s GLN 112 Cb -0.03 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.96 1ai6 s GLN 112 CO 0.14 -0.36 1.05 0.00 -0.55 0.00 0.00 175.29 175.56 1ai6 s ALA 113 N -2.31 2.81 -0.03 1.58 0.00 -1.26 -4.39 121.76 118.16 1ai6 s ALA 113 Ca 0.63 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1ai6 s ALA 113 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1ai6 s ALA 113 CO 0.25 -1.03 -0.10 -1.21 0.00 0.00 0.00 175.76 173.67 1ai6 s GLU 114 N -5.01 1.04 0.02 0.00 2.02 -0.17 -4.94 118.70 111.66 1ai6 s GLU 114 Ca 0.57 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.30 1ai6 s GLU 114 Cb -0.13 -0.96 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 1ai6 s GLU 114 CO 0.53 0.12 -0.18 0.95 0.02 0.00 0.00 175.26 176.70 1ai6 s THR 115 N 0.19 1.47 0.26 3.63 -4.23 -1.26 0.16 115.64 115.86 1ai6 s THR 115 Ca -0.03 -0.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1ai6 s THR 115 Cb -0.09 -1.26 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 1ai6 s THR 115 CO 0.01 0.27 0.46 0.72 -0.54 0.00 0.00 174.62 175.53 1ai6 s PHE 116 N -0.63 0.47 0.02 3.99 -0.71 -0.70 -4.99 117.98 115.43 1ai6 s PHE 116 Ca 0.06 -0.82 0.08 0.00 -1.04 0.00 0.00 56.93 55.21 1ai6 s PHE 116 Cb -0.08 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1ai6 s PHE 116 CO 0.01 -1.00 -0.22 0.99 -1.34 0.00 0.00 175.22 173.65 1ai6 s THR 117 N -3.90 2.43 -0.17 -4.49 2.01 -1.26 -0.41 115.64 109.85 1ai6 s THR 117 Ca 0.24 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1ai6 s THR 117 Cb -0.00 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1ai6 s THR 117 CO 0.10 0.43 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.71 1ai6 s VAL 118 N -0.79 3.54 0.00 3.82 1.01 -0.53 -4.96 120.40 122.50 1ai6 s VAL 118 Ca 0.12 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1ai6 s VAL 118 Cb -0.10 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ai6 s VAL 118 CO 0.02 0.48 -0.01 0.26 0.00 0.00 0.00 175.10 175.85 1ai6 s TRP 119 N 0.66 3.03 -0.03 5.22 0.52 -1.26 -1.75 118.94 125.34 1ai6 s TRP 119 Ca -0.03 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.05 1ai6 s TRP 119 Cb -0.15 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1ai6 s TRP 119 CO 0.02 0.45 0.19 0.50 0.02 0.00 0.00 176.95 178.13 1ai6 s ARG 120 N -1.56 0.44 0.28 4.98 3.52 -0.37 -1.42 118.95 124.82 1ai6 s ARG 120 Ca 0.19 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1ai6 s ARG 120 Cb -0.11 0.19 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1ai6 s ARG 120 CO 0.10 -0.10 0.03 0.25 -0.81 0.00 0.00 175.30 174.78 1ai6 n THR 121 N 1.91 0.00 0.12 4.11 -2.24 -0.58 -1.12 114.28 116.48 1ai6 n THR 121 Ca -0.19 -1.44 0.13 0.00 -2.27 0.00 0.00 64.05 60.28 1ai6 n THR 121 Cb 0.57 0.38 0.65 0.00 -2.10 0.00 0.00 70.33 69.82 1ai6 n THR 121 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ai6 h VAL 122 N 1.25 0.88 0.11 2.28 3.04 -2.00 -2.17 116.25 119.64 1ai6 h VAL 122 Ca -0.23 -0.01 -0.27 0.00 -1.01 0.00 0.00 66.70 65.18 1ai6 h VAL 122 Cb 0.76 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1ai6 h VAL 122 CO 0.38 0.01 -1.23 0.45 -1.01 0.00 0.00 177.57 176.17 1ai6 h HIS 123 N 0.04 0.41 0.00 3.17 3.86 -1.95 -3.51 115.15 117.17 1ai6 h HIS 123 Ca 0.13 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1ai6 h HIS 123 Cb 0.46 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1ai6 h HIS 123 CO -0.00 1.24 0.00 0.41 0.86 0.00 0.00 177.93 180.44 1ai6 n GLY 124 N 1.51 -0.80 3.76 2.45 0.00 -0.82 -4.14 105.19 107.16 1ai6 n GLY 124 Ca -0.08 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1ai6 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ai6 s ASN 125 N -4.00 6.69 -0.10 1.61 0.02 -1.26 -1.53 114.94 116.37 1ai6 s ASN 125 Ca 0.00 2.73 -0.29 0.00 -1.02 0.00 0.00 52.86 54.27 1ai6 s ASN 125 Cb 0.00 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.58 1ai6 s ASN 125 CO 0.00 -0.62 1.53 -0.63 0.02 0.00 0.00 177.10 177.41 1ai6 s ILE 126 N -0.85 3.80 -0.09 0.60 -1.09 -0.50 -1.37 121.20 121.69 1ai6 s ILE 126 Ca 0.52 0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 59.77 1ai6 s ILE 126 Cb -0.41 -3.63 -0.11 0.00 -1.58 0.00 0.00 42.46 36.73 1ai6 s ILE 126 CO 0.52 -0.10 0.46 -0.07 -1.23 0.00 0.00 174.94 174.52 1ai6 h LEU 127 N 10.16 -0.09 -7.50 2.97 3.38 -0.57 -3.45 115.31 120.20 1ai6 h LEU 127 Ca -0.35 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 1ai6 h LEU 127 Cb 1.15 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 1ai6 h LEU 127 CO 0.96 0.54 -0.13 0.00 0.09 0.00 0.00 178.44 179.90 1ai6 s GLN 128 N -2.34 1.04 0.05 1.13 -2.07 -1.24 -4.99 119.66 111.25 1ai6 s GLN 128 Ca -0.08 -0.78 0.05 0.00 -1.82 0.00 0.00 55.36 52.73 1ai6 s GLN 128 Cb -0.01 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 1ai6 s GLN 128 CO 0.30 -0.40 -0.15 0.95 -1.32 0.00 0.00 175.29 174.68 1ai6 s THR 129 N -3.82 1.18 -0.39 3.63 -4.23 -1.26 0.14 115.64 110.88 1ai6 s THR 129 Ca 0.04 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1ai6 s THR 129 Cb 0.02 -1.08 0.11 0.00 1.34 0.00 0.00 72.50 72.89 1ai6 s THR 129 CO -0.11 -0.07 0.16 -0.62 -0.54 0.00 0.00 174.62 173.44 1ai6 s ASP 130 N -1.39 5.12 0.24 3.99 -1.08 0.40 -4.97 116.67 118.98 1ai6 s ASP 130 Ca 0.01 -2.06 -0.02 0.00 -0.52 0.00 0.00 52.55 49.96 1ai6 s ASP 130 Cb -0.09 -1.77 0.27 0.00 -1.46 0.00 0.00 42.92 39.87 1ai6 s ASP 130 CO 0.02 -0.50 1.66 1.56 0.52 0.00 0.00 175.17 178.43 1ai6 h GLN 131 N 7.93 0.65 -0.44 4.34 4.20 -1.95 0.51 115.11 130.34 1ai6 h GLN 131 Ca -0.11 -0.26 0.08 0.00 0.06 0.00 0.00 58.65 58.42 1ai6 h GLN 131 Cb 1.04 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.72 1ai6 h GLN 131 CO 0.65 0.84 0.05 1.79 -0.67 0.00 0.00 178.83 181.49 1ai6 h THR 132 N 0.57 0.72 -0.02 -0.54 1.35 -1.95 -1.84 112.91 111.19 1ai6 h THR 132 Ca 0.08 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1ai6 h THR 132 Cb 0.72 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1ai6 h THR 132 CO 0.06 0.03 -0.10 0.35 -0.25 0.00 0.00 175.52 175.61 1ai6 n THR 133 N -5.15 0.00 -3.67 6.82 -2.24 -1.09 -4.95 114.28 104.00 1ai6 n THR 133 Ca 0.04 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1ai6 n THR 133 Cb 0.22 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1ai6 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ai6 n GLN 134 N 0.44 -5.14 -4.82 -0.78 1.13 0.15 -4.91 117.38 103.45 1ai6 n GLN 134 Ca 0.15 0.65 -0.26 0.00 -1.94 0.00 0.00 57.00 55.60 1ai6 n GLN 134 Cb 0.45 -5.27 -0.15 0.00 0.11 0.00 0.00 30.24 25.39 1ai6 n GLN 134 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ai6 s THR 135 N -3.62 1.64 -0.00 5.09 2.01 0.14 -1.44 115.64 119.46 1ai6 s THR 135 Ca 0.02 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1ai6 s THR 135 Cb -0.01 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1ai6 s THR 135 CO 0.80 0.33 -0.14 0.00 -0.69 0.00 0.00 174.62 174.92 1ai6 s ALA 136 N -0.64 1.17 -0.21 7.40 0.00 -0.06 0.15 121.76 129.57 1ai6 s ALA 136 Ca 0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 1ai6 s ALA 136 Cb -0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1ai6 s ALA 136 CO 0.01 0.27 0.12 0.71 0.00 0.00 0.00 175.76 176.87 1ai6 s TYR 137 N -0.43 3.32 -0.15 0.00 2.02 0.38 0.84 117.35 123.33 1ai6 s TYR 137 Ca 0.05 0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.89 1ai6 s TYR 137 Cb -0.06 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1ai6 s TYR 137 CO -0.00 0.16 0.02 0.00 -1.57 0.00 0.00 175.55 174.16 1ai6 s ALA 138 N 0.61 3.28 -0.22 3.71 0.00 -0.28 0.22 121.76 129.09 1ai6 s ALA 138 Ca 0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1ai6 s ALA 138 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1ai6 s ALA 138 CO 0.01 0.31 0.42 0.21 0.00 0.00 0.00 175.76 176.70 1ai6 s LYS 139 N 0.01 4.14 -0.17 0.00 2.20 -0.47 -0.71 119.74 124.72 1ai6 s LYS 139 Ca 0.04 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1ai6 s LYS 139 Cb -0.13 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1ai6 s LYS 139 CO 0.02 -0.13 -0.16 0.45 -0.36 0.00 0.00 175.35 175.17 1ai6 s SER 140 N 1.21 3.02 -0.14 1.43 0.15 0.06 -4.00 113.70 115.44 1ai6 s SER 140 Ca 0.19 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 1ai6 s SER 140 Cb -0.15 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1ai6 s SER 140 CO 0.09 -0.04 0.11 -0.13 1.20 0.00 0.00 173.24 174.46 1ai6 s ARG 141 N 1.37 3.61 0.37 5.44 0.52 -1.26 -1.34 118.95 127.66 1ai6 s ARG 141 Ca 0.04 -0.21 0.28 0.00 -0.52 0.00 0.00 55.73 55.31 1ai6 s ARG 141 Cb -0.13 -3.19 1.08 0.00 0.52 0.00 0.00 34.95 33.22 1ai6 s ARG 141 CO -0.11 0.60 1.81 0.00 0.02 0.00 0.00 175.30 177.62 1ai6 h ALA 142 N 5.58 1.00 -0.23 2.13 0.00 -1.51 -2.57 119.26 123.66 1ai6 h ALA 142 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ai6 h ALA 142 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ai6 h ALA 142 CO 0.63 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.21 1ai6 n TRP 143 N -2.60 0.29 -1.65 0.00 4.27 -1.26 -4.85 117.44 111.63 1ai6 n TRP 143 Ca 0.02 -0.14 -0.49 0.00 -3.89 0.00 0.00 57.50 53.00 1ai6 n TRP 143 Cb 0.29 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.19 1ai6 n TRP 143 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1ai6 n ASP 144 N 1.26 2.70 0.00 -0.67 2.03 -0.97 -1.39 116.55 119.50 1ai6 n ASP 144 Ca 0.17 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1ai6 n ASP 144 Cb 0.56 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1ai6 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ai6 n GLY 145 N 3.39 0.53 0.33 0.27 0.00 -1.26 -4.88 105.19 103.57 1ai6 n GLY 145 Ca 0.19 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1ai6 n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ai6 n LYS 146 N -2.87 0.45 0.22 1.61 5.02 -0.49 -4.86 118.16 117.25 1ai6 n LYS 146 Ca 0.00 -1.40 -0.15 0.00 -2.02 0.00 0.00 58.31 54.74 1ai6 n LYS 146 Cb 0.00 -0.79 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 1ai6 n LYS 146 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1ai6 h GLU 147 N 0.00 -0.49 -0.75 1.97 3.07 -1.90 -1.55 114.58 114.92 1ai6 h GLU 147 Ca 0.00 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1ai6 h GLU 147 Cb 1.23 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.22 1ai6 h GLU 147 CO 0.00 -0.32 0.35 0.28 -1.40 0.00 0.00 179.01 177.92 1ai6 h VAL 148 N -0.53 1.24 -0.16 3.13 2.07 -1.95 -1.01 116.25 119.05 1ai6 h VAL 148 Ca -0.05 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1ai6 h VAL 148 Cb 0.40 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ai6 h VAL 148 CO 0.09 0.29 -0.07 0.00 0.02 0.00 0.00 177.57 177.90 1ai6 h ALA 149 N 1.18 1.59 -0.41 1.67 0.00 -1.88 -0.94 119.26 120.46 1ai6 h ALA 149 Ca 0.26 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1ai6 h ALA 149 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ai6 h ALA 149 CO -0.03 0.30 -0.26 0.77 0.00 0.00 0.00 179.25 180.03 1ai6 h SER 150 N 0.23 0.94 -0.94 0.00 0.02 -0.14 -0.31 113.55 113.35 1ai6 h SER 150 Ca 0.05 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1ai6 h SER 150 Cb 0.28 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1ai6 h SER 150 CO 0.01 1.16 0.62 0.25 -1.14 0.00 0.00 176.83 177.74 1ai6 h LEU 151 N 0.72 1.06 -0.52 5.07 6.46 -1.10 -2.40 115.31 124.59 1ai6 h LEU 151 Ca 0.08 -0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.66 1ai6 h LEU 151 Cb 0.84 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1ai6 h LEU 151 CO 0.07 0.75 -0.69 -0.07 -0.62 0.00 0.00 178.44 177.88 1ai6 h LEU 152 N 1.24 0.29 -0.86 2.25 3.38 -0.98 -1.98 115.31 118.65 1ai6 h LEU 152 Ca 0.36 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ai6 h LEU 152 Cb -0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1ai6 h LEU 152 CO -0.10 0.89 0.33 0.00 0.09 0.00 0.00 178.44 179.66 1ai6 h ALA 153 N 1.11 1.09 0.00 1.53 0.00 -0.81 0.27 119.26 122.44 1ai6 h ALA 153 Ca -0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ai6 h ALA 153 Cb 1.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ai6 h ALA 153 CO 0.11 0.65 -0.33 2.35 0.00 0.00 0.00 179.25 182.03 1ai6 h TRP 154 N 1.15 0.00 0.01 0.00 2.91 -1.16 -1.65 115.95 117.21 1ai6 h TRP 154 Ca 0.27 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 1ai6 h TRP 154 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1ai6 h TRP 154 CO 0.02 0.33 -0.01 1.15 -1.03 0.00 0.00 178.44 178.91 1ai6 h THR 155 N 0.00 1.56 0.00 2.65 2.02 -0.84 -3.36 112.91 114.95 1ai6 h THR 155 Ca -0.00 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.26 1ai6 h THR 155 Cb 0.67 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1ai6 h THR 155 CO 0.04 0.48 -0.13 0.45 0.37 0.00 0.00 175.52 176.73 1ai6 h HIS 156 N -0.85 0.00 0.00 3.16 3.86 -0.41 -2.27 115.15 118.64 1ai6 h HIS 156 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1ai6 h HIS 156 Cb 0.79 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 1ai6 h HIS 156 CO 0.21 0.13 -0.06 -0.56 0.86 0.00 0.00 177.93 178.51 1ai6 h GLN 157 N 0.00 0.00 0.00 2.45 -0.00 -1.44 -1.43 115.11 114.70 1ai6 h GLN 157 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ai6 h GLN 157 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1ai6 h GLN 157 CO 0.02 0.06 -0.01 0.52 -0.00 0.00 0.00 178.83 179.42 1ai6 h MET 158 N 0.00 0.00 -0.00 0.06 2.86 -1.56 -2.49 114.93 113.79 1ai6 h MET 158 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ai6 h MET 158 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1ai6 h MET 158 CO 0.01 0.01 -0.38 1.63 1.06 0.00 0.00 176.91 179.24 1ai6 n LYS 159 N -3.15 0.28 -2.02 1.72 5.02 -0.54 -4.78 118.16 114.69 1ai6 n LYS 159 Ca -0.02 -0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 55.74 1ai6 n LYS 159 Cb 0.15 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1ai6 n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ai6 s ALA 160 N -2.82 2.85 -0.12 7.82 0.00 -0.94 -4.94 121.76 123.60 1ai6 s ALA 160 Ca 0.16 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1ai6 s ALA 160 Cb 0.18 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1ai6 s ALA 160 CO 0.62 -1.04 0.28 1.63 0.00 0.00 0.00 175.76 177.25 1ai6 n LYS 161 N -0.88 3.29 -3.98 0.00 4.76 -1.26 -4.69 118.16 115.40 1ai6 n LYS 161 Ca 0.09 -0.26 -0.13 0.00 -2.87 0.00 0.00 58.31 55.15 1ai6 n LYS 161 Cb 0.47 -0.77 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 1ai6 n LYS 161 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ai6 s ASN 162 N -0.68 0.62 0.13 4.39 6.03 -1.26 -4.78 114.94 119.38 1ai6 s ASN 162 Ca 0.01 -1.39 -0.20 0.00 -1.03 0.00 0.00 52.86 50.26 1ai6 s ASN 162 Cb 0.01 0.75 -0.04 0.00 -3.03 0.00 0.00 41.25 38.94 1ai6 s ASN 162 CO 0.04 -1.47 1.73 -0.25 -2.03 0.00 0.00 177.10 175.12 1ai6 h TRP 163 N 2.05 0.03 -0.13 1.54 2.91 -1.98 0.14 115.95 120.51 1ai6 h TRP 163 Ca -0.30 0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.75 1ai6 h TRP 163 Cb 1.24 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 1ai6 h TRP 163 CO 1.52 0.00 0.04 1.96 -1.03 0.00 0.00 178.44 180.93 1ai6 h GLN 164 N 0.09 0.10 -0.58 2.65 4.20 -1.99 0.25 115.11 119.84 1ai6 h GLN 164 Ca 0.09 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1ai6 h GLN 164 Cb 0.10 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1ai6 h GLN 164 CO -0.13 0.07 -0.00 1.96 -0.67 0.00 0.00 178.83 180.05 1ai6 h GLN 165 N 0.11 1.01 -0.42 1.46 4.20 -1.82 -2.43 115.11 117.21 1ai6 h GLN 165 Ca 0.06 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 1ai6 h GLN 165 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ai6 h GLN 165 CO -0.06 0.99 -0.02 2.35 -0.67 0.00 0.00 178.83 181.42 1ai6 h TRP 166 N 0.93 0.82 0.00 2.96 7.01 -0.13 -2.87 115.95 124.67 1ai6 h TRP 166 Ca 0.17 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1ai6 h TRP 166 Cb 0.54 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1ai6 h TRP 166 CO 0.04 0.83 -0.10 1.79 -2.79 0.00 0.00 178.44 178.20 1ai6 h THR 167 N 0.58 0.29 -0.83 2.65 1.35 -0.39 0.10 112.91 116.67 1ai6 h THR 167 Ca 0.11 -0.71 0.01 0.00 -0.55 0.00 0.00 66.41 65.27 1ai6 h THR 167 Cb 0.52 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 1ai6 h THR 167 CO 0.03 0.10 0.54 1.56 -0.25 0.00 0.00 175.52 177.50 1ai6 h GLN 168 N 0.00 1.09 0.07 4.72 4.20 -1.21 0.30 115.11 124.29 1ai6 h GLN 168 Ca -0.00 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1ai6 h GLN 168 Cb 0.54 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1ai6 h GLN 168 CO 0.01 0.73 -1.21 1.96 -0.67 0.00 0.00 178.83 179.66 1ai6 h GLN 169 N 1.12 0.15 -0.11 1.46 1.08 -0.85 -3.25 115.11 114.72 1ai6 h GLN 169 Ca 0.30 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1ai6 h GLN 169 Cb -0.12 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1ai6 h GLN 169 CO -0.06 1.09 -0.11 0.00 -0.95 0.00 0.00 178.83 178.80 1ai6 h ALA 170 N 0.75 1.61 0.00 3.87 0.00 -0.44 0.16 119.26 125.21 1ai6 h ALA 170 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ai6 h ALA 170 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ai6 h ALA 170 CO 0.16 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1ai6 h ALA 171 N 1.73 1.00 -0.02 0.00 0.00 -0.99 -2.31 119.26 118.67 1ai6 h ALA 171 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ai6 h ALA 171 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ai6 h ALA 171 CO 0.02 0.00 -0.39 1.63 0.00 0.00 0.00 179.25 180.50 1ai6 n LYS 172 N -2.97 1.41 -2.83 0.00 5.02 0.56 -4.84 118.16 114.50 1ai6 n LYS 172 Ca -0.02 -1.08 -0.43 0.00 -2.02 0.00 0.00 58.31 54.77 1ai6 n LYS 172 Cb 0.14 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1ai6 n LYS 172 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1ai6 s GLN 173 N -2.31 3.71 0.00 1.97 -0.44 -0.87 -4.22 119.66 117.50 1ai6 s GLN 173 Ca 0.19 0.37 0.23 0.00 -2.50 0.00 0.00 55.36 53.65 1ai6 s GLN 173 Cb 0.17 -3.85 0.09 0.00 -1.64 0.00 0.00 33.01 27.78 1ai6 s GLN 173 CO 0.51 -1.04 1.13 0.00 0.50 0.00 0.00 175.29 176.38 1ai6 n ALA 174 N 6.88 4.13 -1.80 1.58 0.00 -1.26 -2.71 120.51 127.33 1ai6 n ALA 174 Ca 0.06 -0.52 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 1ai6 n ALA 174 Cb 0.48 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1ai6 n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ai6 s LEU 175 N -2.90 3.64 -0.92 0.00 1.43 -1.26 -2.15 118.68 116.51 1ai6 s LEU 175 Ca 0.11 1.66 -0.24 0.00 -1.03 0.00 0.00 54.13 54.63 1ai6 s LEU 175 Cb 0.17 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.90 1ai6 s LEU 175 CO 0.76 -0.71 1.50 0.28 0.23 0.00 0.00 176.35 178.41 1ai6 s THR 176 N -2.51 3.78 -0.00 5.49 -1.32 -1.26 -3.56 115.64 116.26 1ai6 s THR 176 Ca 0.61 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 1ai6 s THR 176 Cb -0.12 -4.83 -0.01 0.00 -1.51 0.00 0.00 72.50 66.04 1ai6 s THR 176 CO 0.30 -1.74 -0.06 -0.63 -2.21 0.00 0.00 174.62 170.29 1ai6 s ILE 177 N 6.04 0.44 -0.09 5.08 -1.09 -1.19 -2.97 121.20 127.42 1ai6 s ILE 177 Ca 0.48 -0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 58.38 1ai6 s ILE 177 Cb -0.03 -0.39 -0.04 0.00 -1.58 0.00 0.00 42.46 40.42 1ai6 s ILE 177 CO -0.02 0.08 0.63 0.20 -1.23 0.00 0.00 174.94 174.61 1ai6 s ASN 178 N -0.25 6.87 -0.02 3.58 0.01 0.25 -1.22 114.94 124.15 1ai6 s ASN 178 Ca 0.01 1.05 0.03 0.00 -0.71 0.00 0.00 52.86 53.24 1ai6 s ASN 178 Cb -0.03 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1ai6 s ASN 178 CO -0.00 -0.10 -0.08 0.26 -1.51 0.00 0.00 177.10 175.67 1ai6 s TRP 179 N 0.86 2.87 0.04 2.20 0.52 -0.19 -1.57 118.94 123.67 1ai6 s TRP 179 Ca 0.33 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.47 1ai6 s TRP 179 Cb -0.17 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1ai6 s TRP 179 CO 0.15 0.34 -0.14 0.71 0.02 0.00 0.00 176.95 178.02 1ai6 s TYR 180 N -0.90 1.26 0.01 -1.98 1.51 -0.38 -1.69 117.35 115.17 1ai6 s TYR 180 Ca 0.15 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 1ai6 s TYR 180 Cb -0.11 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1ai6 s TYR 180 CO 0.05 0.03 -0.19 -0.47 -1.11 0.00 0.00 175.55 173.87 1ai6 s TYR 181 N -0.81 1.64 0.05 2.71 6.14 -0.24 -2.50 117.35 124.35 1ai6 s TYR 181 Ca 0.02 -0.33 -0.07 0.00 0.64 0.00 0.00 57.07 57.33 1ai6 s TYR 181 Cb -0.08 -1.03 -0.01 0.00 0.42 0.00 0.00 41.96 41.27 1ai6 s TYR 181 CO 0.01 0.01 0.14 0.00 0.64 0.00 0.00 175.55 176.35 1ai6 s ALA 182 N -0.57 -0.13 0.29 3.97 0.00 -0.72 -1.61 121.76 122.99 1ai6 s ALA 182 Ca 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ai6 s ALA 182 Cb -0.08 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1ai6 s ALA 182 CO 0.00 -0.39 0.29 0.16 0.00 0.00 0.00 175.76 175.82 1ai6 s ASP 183 N -2.42 0.99 0.61 0.00 1.47 -0.80 -0.87 116.67 115.63 1ai6 s ASP 183 Ca -0.01 -1.55 0.36 0.00 1.18 0.00 0.00 52.55 52.53 1ai6 s ASP 183 Cb 0.02 0.53 1.97 0.00 -0.34 0.00 0.00 42.92 45.10 1ai6 s ASP 183 CO -0.07 -1.05 2.25 -0.37 0.68 0.00 0.00 175.17 176.60 1ai6 h VAL 184 N 2.27 0.26 -0.01 2.11 -1.51 -1.07 -1.74 116.25 116.56 1ai6 h VAL 184 Ca -0.29 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1ai6 h VAL 184 Cb 1.24 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1ai6 h VAL 184 CO 0.41 0.02 -0.14 0.59 -1.23 0.00 0.00 177.57 177.23 1ai6 n ASN 185 N -3.41 1.25 0.00 4.19 3.02 -1.26 -4.57 115.26 114.48 1ai6 n ASN 185 Ca -0.02 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1ai6 n ASN 185 Cb 0.13 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1ai6 n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ai6 n GLY 186 N 1.27 0.82 3.81 7.41 0.00 -0.65 -4.94 105.19 112.89 1ai6 n GLY 186 Ca 0.15 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1ai6 n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ai6 s ASN 187 N -2.08 6.80 0.03 1.61 -0.87 -1.26 -3.13 114.94 116.03 1ai6 s ASN 187 Ca 0.00 1.79 0.01 0.00 -1.57 0.00 0.00 52.86 53.09 1ai6 s ASN 187 Cb 0.00 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.66 1ai6 s ASN 187 CO 0.00 -0.46 -0.06 0.27 -2.57 0.00 0.00 177.10 174.28 1ai6 s ILE 188 N -2.05 0.37 0.20 0.60 -4.36 -1.26 -1.91 121.20 112.79 1ai6 s ILE 188 Ca 0.62 -0.86 -0.14 0.00 -0.26 0.00 0.00 60.65 60.01 1ai6 s ILE 188 Cb -0.12 -0.44 0.01 0.00 1.25 0.00 0.00 42.46 43.15 1ai6 s ILE 188 CO 0.17 -0.33 0.45 -0.83 0.24 0.00 0.00 174.94 174.64 1ai6 s GLY 189 N -1.28 0.22 -0.11 6.27 0.00 -0.63 -0.32 107.32 111.47 1ai6 s GLY 189 Ca -0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1ai6 s GLY 189 CO -0.00 -0.50 0.28 -0.47 0.00 0.00 0.00 173.10 172.41 1ai6 s TYR 190 N -3.94 -0.31 -0.02 1.90 5.04 -0.60 -1.08 117.35 118.34 1ai6 s TYR 190 Ca 0.15 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1ai6 s TYR 190 Cb 0.00 0.11 0.02 0.00 0.35 0.00 0.00 41.96 42.44 1ai6 s TYR 190 CO 0.01 -0.15 0.02 0.08 -1.34 0.00 0.00 175.55 174.16 1ai6 s VAL 191 N 0.19 0.02 -0.70 3.14 1.01 -0.68 -1.78 120.40 121.60 1ai6 s VAL 191 Ca -0.00 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1ai6 s VAL 191 Cb -0.02 -0.13 0.12 0.00 0.00 0.00 0.00 36.38 36.35 1ai6 s VAL 191 CO 0.00 0.09 0.85 -2.28 0.00 0.00 0.00 175.10 173.77 1ai6 s HIS 192 N 0.87 3.04 0.78 5.22 2.46 0.03 -1.03 115.29 126.67 1ai6 s HIS 192 Ca -0.08 -1.09 -0.11 0.00 0.47 0.00 0.00 55.06 54.25 1ai6 s HIS 192 Cb -0.11 -4.11 0.07 0.00 -0.13 0.00 0.00 32.58 28.30 1ai6 s HIS 192 CO -0.02 -1.38 1.15 0.95 -2.47 0.00 0.00 174.74 172.98 1ai6 s THR 193 N 2.69 2.28 0.00 0.89 -4.23 -0.36 -4.35 115.64 112.56 1ai6 s THR 193 Ca 0.19 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1ai6 s THR 193 Cb -0.17 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1ai6 s THR 193 CO 0.02 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1ai6 n GLY 194 N -3.23 2.80 3.65 3.99 0.00 -1.10 -3.14 105.19 108.16 1ai6 n GLY 194 Ca 0.08 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1ai6 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ai6 s ALA 195 N -1.99 3.56 -0.03 4.61 0.00 -0.92 -4.91 121.76 122.10 1ai6 s ALA 195 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1ai6 s ALA 195 Cb 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1ai6 s ALA 195 CO 0.00 -0.53 -0.22 0.71 0.00 0.00 0.00 175.76 175.72 1ai6 s TYR 196 N 1.84 2.01 0.53 0.00 2.02 -1.26 -4.68 117.35 117.81 1ai6 s TYR 196 Ca 0.23 -0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 1ai6 s TYR 196 Cb -0.15 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 1ai6 s TYR 196 CO 0.09 -0.08 1.20 -1.25 -1.57 0.00 0.00 175.55 173.94 1ai6 s PRO 197 N -0.39 3.34 -0.58 -1.71 0.04 -1.26 -0.60 135.00 133.83 1ai6 s PRO 197 Ca 0.05 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1ai6 s PRO 197 Cb -0.10 -2.15 0.15 0.00 0.04 0.00 0.00 34.50 32.44 1ai6 s PRO 197 CO 0.00 -0.91 0.50 0.34 0.04 0.00 0.00 177.00 176.98 1ai6 s ASP 198 N -1.46 6.10 0.40 6.66 -1.08 0.17 -4.49 116.67 122.97 1ai6 s ASP 198 Ca 0.71 -2.09 -0.11 0.00 -0.52 0.00 0.00 52.55 50.54 1ai6 s ASP 198 Cb -0.30 -2.13 -0.07 0.00 -1.46 0.00 0.00 42.92 38.97 1ai6 s ASP 198 CO 0.34 -0.72 0.78 -0.13 0.52 0.00 0.00 175.17 175.96 1ai6 s ARG 199 N 1.11 3.80 0.32 4.34 0.52 -1.26 -1.06 118.95 126.72 1ai6 s ARG 199 Ca 0.08 0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 55.50 1ai6 s ARG 199 Cb -0.24 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.74 1ai6 s ARG 199 CO -0.01 -0.03 1.42 -0.65 0.02 0.00 0.00 175.30 176.04 1ai6 s GLN 200 N -3.81 4.24 0.07 3.54 -1.52 -1.26 -4.87 119.66 116.04 1ai6 s GLN 200 Ca 0.52 2.37 -0.37 0.00 -1.95 0.00 0.00 55.36 55.92 1ai6 s GLN 200 Cb -0.10 -3.05 -0.17 0.00 -0.22 0.00 0.00 33.01 29.46 1ai6 s GLN 200 CO 0.31 -0.39 1.27 0.43 -0.25 0.00 0.00 175.29 176.66 1ai6 n SER 201 N 1.23 1.25 0.00 5.90 7.64 -1.26 -2.14 113.62 126.24 1ai6 n SER 201 Ca 0.03 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ai6 n SER 201 Cb 0.40 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1ai6 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ai6 n GLY 202 N 2.27 0.75 3.58 0.23 0.00 -1.26 -5.02 105.19 105.74 1ai6 n GLY 202 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1ai6 n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ai6 s HIS 203 N -2.44 3.01 -0.34 1.61 5.04 -0.91 -5.01 115.29 116.25 1ai6 s HIS 203 Ca 0.00 0.49 -0.24 0.00 -1.54 0.00 0.00 55.06 53.77 1ai6 s HIS 203 Cb 0.00 -3.73 0.01 0.00 0.04 0.00 0.00 32.58 28.90 1ai6 s HIS 203 CO 0.00 -0.94 0.83 0.34 -2.34 0.00 0.00 174.74 172.63 1ai6 s ASP 204 N 2.06 6.63 0.00 9.88 -1.08 -1.26 -4.93 116.67 127.97 1ai6 s ASP 204 Ca 0.35 0.54 0.09 0.00 -0.52 0.00 0.00 52.55 53.01 1ai6 s ASP 204 Cb -0.11 -2.42 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 1ai6 s ASP 204 CO 0.22 -0.73 1.20 -0.81 0.52 0.00 0.00 175.17 175.57 1ai6 n PRO 205 N 6.44 0.81 0.01 4.34 -0.04 -1.26 -2.59 135.00 142.71 1ai6 n PRO 205 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1ai6 n PRO 205 Cb 0.48 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 1ai6 n PRO 205 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ai6 n ARG 206 N -0.67 0.14 -4.25 0.54 1.74 -1.26 -4.79 116.66 108.10 1ai6 n ARG 206 Ca 0.07 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1ai6 n ARG 206 Cb 0.03 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 1ai6 n ARG 206 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ai6 s LEU 207 N -3.39 2.48 0.77 0.55 1.43 -1.07 -5.03 118.68 114.43 1ai6 s LEU 207 Ca 0.06 -1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 1ai6 s LEU 207 Cb 0.16 -0.32 0.06 0.00 0.03 0.00 0.00 46.19 46.12 1ai6 s LEU 207 CO 0.82 -0.36 1.20 -2.65 0.23 0.00 0.00 176.35 175.59 1ai6 n PRO 208 N -0.21 0.38 -4.38 1.29 -0.02 -1.26 -4.82 135.00 125.97 1ai6 n PRO 208 Ca -0.10 0.20 -0.26 0.00 -2.02 0.00 0.00 63.50 61.32 1ai6 n PRO 208 Cb 0.61 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1ai6 n PRO 208 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ai6 s VAL 209 N -1.96 2.16 0.49 -1.45 -7.23 -0.77 -4.95 120.40 106.68 1ai6 s VAL 209 Ca 0.75 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 1ai6 s VAL 209 Cb -0.31 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 1ai6 s VAL 209 CO 0.49 -0.10 1.32 -2.16 -0.31 0.00 0.00 175.10 174.34 1ai6 s PRO 210 N -2.48 3.50 -0.24 4.82 0.05 -1.26 0.11 135.00 139.50 1ai6 s PRO 210 Ca 0.17 2.16 0.14 0.00 0.05 0.00 0.00 61.00 63.51 1ai6 s PRO 210 Cb -0.08 -2.44 0.74 0.00 0.05 0.00 0.00 34.50 32.77 1ai6 s PRO 210 CO 0.08 -0.88 1.69 0.41 0.05 0.00 0.00 177.00 178.35 1ai6 n GLY 211 N 0.63 3.40 0.00 0.56 0.00 0.35 -4.50 105.19 105.64 1ai6 n GLY 211 Ca 0.08 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.26 1ai6 n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ai6 n THR 212 N 0.19 0.06 0.00 2.61 -2.24 -1.26 -4.75 114.28 108.89 1ai6 n THR 212 Ca 0.29 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1ai6 n THR 212 Cb 1.17 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1ai6 n THR 212 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ai6 n GLY 213 N 1.13 3.92 0.14 3.38 0.00 -1.26 -0.97 105.19 111.54 1ai6 n GLY 213 Ca 0.14 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1ai6 n GLY 213 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ai6 h LYS 214 N 0.00 0.00 -0.02 1.61 6.56 -1.90 -3.11 116.57 119.71 1ai6 h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ai6 h LYS 214 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ai6 h LYS 214 CO 0.00 0.58 -0.15 0.91 -2.06 0.00 0.00 179.45 178.73 1ai6 n TRP 215 N -3.57 0.00 -1.58 -1.35 7.02 -1.26 -4.97 117.44 111.73 1ai6 n TRP 215 Ca -0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 1ai6 n TRP 215 Cb 0.65 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 1ai6 n TRP 215 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1ai6 n ASP 216 N 0.30 0.92 -4.67 -0.99 8.00 -1.18 -4.74 116.55 114.20 1ai6 n ASP 216 Ca 0.14 1.06 -0.35 0.00 0.71 0.00 0.00 54.79 56.36 1ai6 n ASP 216 Cb 0.45 -1.29 0.11 0.00 -0.02 0.00 0.00 41.12 40.36 1ai6 n ASP 216 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1ai6 n TRP 217 N -0.31 1.16 0.16 1.24 8.01 -1.26 -4.60 117.44 121.83 1ai6 n TRP 217 Ca 0.10 0.40 0.12 0.00 -1.31 0.00 0.00 57.50 56.81 1ai6 n TRP 217 Cb 0.37 -2.12 0.07 0.00 -2.01 0.00 0.00 31.31 27.62 1ai6 n TRP 217 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1ai6 h LYS 218 N -0.51 0.00 0.00 -0.99 1.57 -1.43 -3.49 116.57 111.72 1ai6 h LYS 218 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ai6 h LYS 218 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1ai6 h LYS 218 CO 0.47 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 1ai6 n GLY 219 N 1.15 -0.10 3.45 3.86 0.00 -1.25 -4.99 105.19 107.31 1ai6 n GLY 219 Ca 0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1ai6 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ai6 s LEU 220 N 0.00 2.54 0.54 0.99 1.43 -1.26 -0.65 118.68 122.27 1ai6 s LEU 220 Ca 0.00 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 1ai6 s LEU 220 Cb 0.00 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1ai6 s LEU 220 CO 0.00 0.19 1.04 -0.76 0.23 0.00 0.00 176.35 177.05 1ai6 s LEU 221 N -2.04 3.64 0.88 1.79 1.43 0.23 -4.69 118.68 119.92 1ai6 s LEU 221 Ca 0.16 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 1ai6 s LEU 221 Cb -0.10 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.70 1ai6 s LEU 221 CO 0.08 -0.94 1.09 -2.16 0.23 0.00 0.00 176.35 174.65 1ai6 s PRO 222 N -3.76 1.38 0.61 1.29 0.04 -1.26 -4.69 135.00 128.60 1ai6 s PRO 222 Ca 0.64 1.01 0.39 0.00 0.04 0.00 0.00 61.00 63.08 1ai6 s PRO 222 Cb -0.15 -1.81 1.91 0.00 0.04 0.00 0.00 34.50 34.49 1ai6 s PRO 222 CO 0.30 -2.21 2.18 0.35 0.04 0.00 0.00 177.00 177.66 1ai6 h PHE 223 N -1.54 0.00 0.00 0.56 3.57 -1.94 -1.89 116.94 115.70 1ai6 h PHE 223 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 1ai6 h PHE 223 Cb 1.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ai6 h PHE 223 CO 0.47 0.00 -0.10 1.49 -2.23 0.00 0.00 178.31 177.94 1ai6 h GLU 224 N 0.00 0.00 0.00 1.11 4.81 -2.02 -2.53 114.58 115.95 1ai6 h GLU 224 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ai6 h GLU 224 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ai6 h GLU 224 CO 0.00 0.10 -0.10 0.52 -0.73 0.00 0.00 179.01 178.81 1ai6 h MET 225 N 0.00 0.00 -6.48 1.92 0.00 -1.70 -3.45 114.93 105.22 1ai6 h MET 225 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 59.70 59.17 1ai6 h MET 225 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 31.60 32.21 1ai6 h MET 225 CO 0.01 0.10 0.98 -0.80 0.00 0.00 0.00 176.91 177.20 1ai6 s ASN 226 N -6.16 6.60 0.21 1.22 -0.87 -0.96 -4.93 114.94 110.05 1ai6 s ASN 226 Ca 0.05 2.52 -0.32 0.00 -1.57 0.00 0.00 52.86 53.54 1ai6 s ASN 226 Cb 0.06 -2.57 -0.14 0.00 -0.02 0.00 0.00 41.25 38.58 1ai6 s ASN 226 CO 0.66 -0.88 1.35 -2.65 -2.57 0.00 0.00 177.10 173.00 1ai6 n PRO 227 N 5.31 1.76 -3.51 -0.60 -0.02 -1.26 -4.81 135.00 131.87 1ai6 n PRO 227 Ca 0.16 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1ai6 n PRO 227 Cb 0.40 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1ai6 n PRO 227 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ai6 s LYS 228 N -0.29 0.91 -0.25 -0.52 -2.85 -1.26 -0.79 119.74 114.69 1ai6 s LYS 228 Ca 0.71 -0.05 -0.23 0.00 -1.00 0.00 0.00 55.97 55.40 1ai6 s LYS 228 Cb -0.72 0.42 0.07 0.00 -2.06 0.00 0.00 37.83 35.54 1ai6 s LYS 228 CO 0.49 -0.34 0.66 0.54 0.10 0.00 0.00 175.35 176.81 1ai6 s VAL 229 N -2.13 -0.00 -0.07 1.79 0.11 -0.73 -5.00 120.40 114.37 1ai6 s VAL 229 Ca -0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1ai6 s VAL 229 Cb -0.01 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1ai6 s VAL 229 CO -0.01 0.00 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.11 1ai6 s TYR 230 N 0.39 1.93 -0.96 1.54 5.04 -1.26 -1.55 117.35 122.49 1ai6 s TYR 230 Ca -0.00 -0.69 -0.12 0.00 -2.44 0.00 0.00 57.07 53.82 1ai6 s TYR 230 Cb -0.05 -1.33 0.01 0.00 0.35 0.00 0.00 41.96 40.95 1ai6 s TYR 230 CO 0.00 -0.29 0.66 0.09 -1.34 0.00 0.00 175.55 174.67 1ai6 n ASN 231 N 3.48 -5.04 -4.74 4.32 3.02 0.56 -4.87 115.26 112.00 1ai6 n ASN 231 Ca -0.20 -0.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.99 1ai6 n ASN 231 Cb 0.52 -2.26 0.04 0.00 -0.61 0.00 0.00 39.78 37.48 1ai6 n ASN 231 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1ai6 n PRO 232 N -3.36 1.68 -0.31 3.52 -0.04 -1.26 -4.92 135.00 130.31 1ai6 n PRO 232 Ca -0.21 0.62 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1ai6 n PRO 232 Cb 0.63 -2.56 0.26 0.00 -0.04 0.00 0.00 33.50 31.79 1ai6 n PRO 232 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ai6 h GLN 233 N 1.42 0.57 -0.05 0.54 4.20 -1.95 -2.02 115.11 117.82 1ai6 h GLN 233 Ca -0.51 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.18 1ai6 h GLN 233 Cb 1.31 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 1ai6 h GLN 233 CO 0.57 0.38 0.04 0.66 -0.67 0.00 0.00 178.83 179.81 1ai6 h SER 234 N 0.59 0.02 0.00 1.46 4.64 -2.02 -3.46 113.55 114.78 1ai6 h SER 234 Ca 0.51 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1ai6 h SER 234 Cb 0.80 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1ai6 h SER 234 CO -0.41 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.18 1ai6 n GLY 235 N -1.54 0.66 3.39 -0.77 0.00 -0.76 -4.89 105.19 101.27 1ai6 n GLY 235 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1ai6 n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ai6 s TYR 236 N -2.26 -0.42 -0.14 1.61 -0.85 -1.26 -1.62 117.35 112.42 1ai6 s TYR 236 Ca 0.00 0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 1ai6 s TYR 236 Cb 0.00 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1ai6 s TYR 236 CO 0.00 -0.71 -0.16 0.42 -1.52 0.00 0.00 175.55 173.58 1ai6 s ILE 237 N -3.04 1.64 0.05 -3.49 1.01 -0.48 -4.90 121.20 111.99 1ai6 s ILE 237 Ca -0.02 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1ai6 s ILE 237 Cb -0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1ai6 s ILE 237 CO -0.07 0.47 -0.17 0.00 0.00 0.00 0.00 174.94 175.18 1ai6 s ALA 238 N 1.26 1.40 -0.10 9.38 0.00 -1.26 -0.00 121.76 132.43 1ai6 s ALA 238 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1ai6 s ALA 238 Cb -0.14 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1ai6 s ALA 238 CO -0.07 0.28 0.45 1.21 0.00 0.00 0.00 175.76 177.63 1ai6 s ASN 239 N -1.27 -0.42 -0.29 0.00 3.84 -0.73 -5.02 114.94 111.05 1ai6 s ASN 239 Ca 0.03 0.63 0.20 0.00 0.21 0.00 0.00 52.86 53.93 1ai6 s ASN 239 Cb -0.08 0.68 0.49 0.00 -0.55 0.00 0.00 41.25 41.78 1ai6 s ASN 239 CO 0.02 -0.33 1.05 1.87 -2.79 0.00 0.00 177.10 176.92 1ai6 n TRP 240 N 2.00 1.31 -1.09 0.43 -0.00 -1.26 -2.19 117.44 116.64 1ai6 n TRP 240 Ca -0.17 -2.42 -0.03 0.00 -0.00 0.00 0.00 57.50 54.88 1ai6 n TRP 240 Cb 0.57 -0.29 -0.01 0.00 -0.00 0.00 0.00 31.31 31.57 1ai6 n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1ai6 n ASN 241 N -0.39 -3.96 -4.30 5.87 4.13 -1.24 -4.69 115.26 110.68 1ai6 n ASN 241 Ca 0.10 0.08 -0.38 0.00 1.68 0.00 0.00 54.58 56.06 1ai6 n ASN 241 Cb 0.81 -1.74 0.04 0.00 -1.54 0.00 0.00 39.78 37.35 1ai6 n ASN 241 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1ai6 n ASN 242 N 0.17 -3.02 -4.74 6.41 6.94 -1.26 -5.01 115.26 114.75 1ai6 n ASN 242 Ca -0.03 0.57 -0.41 0.00 -0.02 0.00 0.00 54.58 54.69 1ai6 n ASN 242 Cb 0.20 -0.98 -0.03 0.00 -2.36 0.00 0.00 39.78 36.62 1ai6 n ASN 242 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ai6 s SER 243 N -1.15 6.73 0.16 0.53 0.15 -1.26 -4.92 113.70 113.93 1ai6 s SER 243 Ca 0.58 2.58 -0.15 0.00 0.70 0.00 0.00 55.95 59.66 1ai6 s SER 243 Cb -0.40 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.35 1ai6 s SER 243 CO 0.65 -0.65 1.80 -0.65 1.20 0.00 0.00 173.24 175.59 1ai6 h PRO 244 N 5.20 0.47 -3.16 5.44 0.11 -1.94 -3.48 132.00 134.65 1ai6 h PRO 244 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ai6 h PRO 244 Cb 1.22 -0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.09 1ai6 h PRO 244 CO 0.78 0.31 0.08 -1.14 -0.21 0.00 0.00 178.00 177.83 1ai6 s GLN 245 N -6.15 1.18 0.01 1.05 0.74 -1.26 -5.01 119.66 110.22 1ai6 s GLN 245 Ca -0.13 -0.57 -0.36 0.00 0.05 0.00 0.00 55.36 54.36 1ai6 s GLN 245 Cb 0.12 0.54 -0.14 0.00 1.10 0.00 0.00 33.01 34.62 1ai6 s GLN 245 CO 0.72 -0.49 1.62 1.17 -0.55 0.00 0.00 175.29 177.77 1ai6 n LYS 246 N -0.29 1.77 -0.99 1.67 4.81 -1.26 -1.59 118.16 122.28 1ai6 n LYS 246 Ca -0.17 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1ai6 n LYS 246 Cb 0.64 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1ai6 n LYS 246 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ai6 n ASP 247 N 4.33 -3.55 -4.70 3.14 8.00 -1.26 -5.00 116.55 117.50 1ai6 n ASP 247 Ca 0.20 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 1ai6 n ASP 247 Cb 0.24 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 1ai6 n ASP 247 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ai6 s TYR 248 N -1.83 3.61 0.36 1.24 5.04 -0.62 -5.02 117.35 120.13 1ai6 s TYR 248 Ca 0.00 1.66 -0.25 0.00 -2.44 0.00 0.00 57.07 56.04 1ai6 s TYR 248 Cb 0.00 -3.14 -0.09 0.00 0.35 0.00 0.00 41.96 39.08 1ai6 s TYR 248 CO 0.00 -0.08 1.01 -1.25 -1.34 0.00 0.00 175.55 173.89 1ai6 s PRO 249 N 1.32 4.39 0.43 4.97 0.04 -1.26 -4.96 135.00 139.93 1ai6 s PRO 249 Ca 0.51 1.45 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1ai6 s PRO 249 Cb -0.20 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1ai6 s PRO 249 CO 0.25 0.07 0.57 0.00 0.04 0.00 0.00 177.00 177.93 1ai6 s ALA 250 N -1.61 4.50 0.60 8.56 0.00 -1.26 -4.35 121.76 128.19 1ai6 s ALA 250 Ca 0.54 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 1ai6 s ALA 250 Cb -0.21 -1.57 -0.14 0.00 0.00 0.00 0.00 23.12 21.20 1ai6 s ALA 250 CO 0.27 -0.31 -0.28 0.45 0.00 0.00 0.00 175.76 175.88 1ai6 n SER 251 N -1.85 -4.05 -0.09 0.00 2.88 0.35 -4.22 113.62 106.64 1ai6 n SER 251 Ca 0.08 0.51 0.13 0.00 -1.33 0.00 0.00 58.87 58.26 1ai6 n SER 251 Cb 0.59 -0.78 0.74 0.00 -0.75 0.00 0.00 64.21 64.01 1ai6 n SER 251 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ai6 n ASP 252 N 2.62 0.28 -4.62 -3.46 5.68 -1.26 -4.89 116.55 110.90 1ai6 n ASP 252 Ca 0.05 -1.24 -0.47 0.00 -0.50 0.00 0.00 54.79 52.63 1ai6 n ASP 252 Cb 0.47 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.40 1ai6 n ASP 252 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ai6 n LEU 253 N -0.71 2.31 0.19 -2.12 4.77 -1.26 -4.87 117.00 115.30 1ai6 n LEU 253 Ca 0.20 1.13 0.03 0.00 -0.03 0.00 0.00 56.01 57.34 1ai6 n LEU 253 Cb 0.14 -1.32 0.37 0.00 -2.33 0.00 0.00 43.42 40.28 1ai6 n LEU 253 CO 0.15 -0.84 0.71 2.19 -1.33 0.00 0.00 177.39 178.27 1ai6 h PHE 254 N 4.16 0.00 -0.18 -1.77 -5.15 -1.99 0.12 116.94 112.13 1ai6 h PHE 254 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1ai6 h PHE 254 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 1ai6 h PHE 254 CO 0.57 0.38 0.00 0.00 -2.00 0.00 0.00 178.31 177.26 1ai6 n ALA 255 N -2.42 2.51 -3.67 12.09 0.00 -1.26 -4.82 120.51 122.93 1ai6 n ALA 255 Ca -0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1ai6 n ALA 255 Cb 0.43 -1.07 -0.17 0.00 0.00 0.00 0.00 19.45 18.64 1ai6 n ALA 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ai6 s PHE 256 N -1.76 2.53 0.01 0.00 2.19 0.41 -4.63 117.98 116.73 1ai6 s PHE 256 Ca 0.25 -1.27 -0.01 0.00 0.33 0.00 0.00 56.93 56.23 1ai6 s PHE 256 Cb 0.13 -1.74 -0.01 0.00 -1.31 0.00 0.00 43.02 40.09 1ai6 s PHE 256 CO 0.19 -0.59 -0.01 -0.51 1.83 0.00 0.00 175.22 176.13 1ai6 s LEU 257 N 0.86 2.13 -0.39 6.12 1.43 -1.26 -4.75 118.68 122.82 1ai6 s LEU 257 Ca -0.07 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1ai6 s LEU 257 Cb -0.15 0.12 0.10 0.00 0.03 0.00 0.00 46.19 46.29 1ai6 s LEU 257 CO -0.02 -0.23 0.17 0.26 0.23 0.00 0.00 176.35 176.76 1ai6 s TRP 258 N -1.08 3.57 0.00 0.29 0.51 -1.26 -5.04 118.94 115.94 1ai6 s TRP 258 Ca -0.12 -2.41 0.00 0.00 -2.12 0.00 0.00 56.10 51.45 1ai6 s TRP 258 Cb -0.07 -3.09 0.00 0.00 -0.81 0.00 0.00 33.47 29.50 1ai6 s TRP 258 CO -0.01 -0.95 0.00 0.41 -0.51 0.00 0.00 176.95 175.89 1ai6 n GLY 259 N 4.57 5.00 0.15 0.98 0.00 -1.26 -5.04 105.19 109.59 1ai6 n GLY 259 Ca -0.03 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.07 1ai6 n GLY 259 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ai6 h GLY 260 N 0.00 0.00 -6.99 -0.02 0.00 -1.97 -3.38 103.07 90.70 1ai6 h GLY 260 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1ai6 h GLY 260 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 176.54 176.82 1ai6 s ALA 261 N -3.57 3.35 -0.04 3.60 0.00 -1.26 -5.04 121.76 118.80 1ai6 s ALA 261 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1ai6 s ALA 261 Cb 0.12 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1ai6 s ALA 261 CO 0.74 -1.75 0.08 0.34 0.00 0.00 0.00 175.76 175.17 1ai6 s ASP 262 N 2.02 -0.03 0.29 0.00 -1.08 -1.26 -4.96 116.67 111.64 1ai6 s ASP 262 Ca 0.28 0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.69 1ai6 s ASP 262 Cb -0.13 0.08 1.06 0.00 -1.46 0.00 0.00 42.92 42.47 1ai6 s ASP 262 CO 0.20 -0.10 1.69 -2.11 0.52 0.00 0.00 175.17 175.37 1ai6 n ARG 263 N 3.77 0.17 0.28 4.34 1.85 -1.26 -2.39 116.66 123.43 1ai6 n ARG 263 Ca -0.22 0.52 0.16 0.00 -1.00 0.00 0.00 57.85 57.31 1ai6 n ARG 263 Cb 0.54 -1.91 0.82 0.00 -1.05 0.00 0.00 32.46 30.86 1ai6 n ARG 263 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 1ai6 h VAL 264 N 0.00 0.32 -0.50 8.89 3.04 -1.95 -2.53 116.25 123.52 1ai6 h VAL 264 Ca 0.00 -0.43 0.09 0.00 -1.01 0.00 0.00 66.70 65.35 1ai6 h VAL 264 Cb 0.21 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1ai6 h VAL 264 CO 0.00 0.07 0.34 0.74 -1.01 0.00 0.00 177.57 177.71 1ai6 h THR 265 N 0.00 0.89 -0.34 3.17 2.02 -1.90 0.37 112.91 117.12 1ai6 h THR 265 Ca -0.00 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1ai6 h THR 265 Cb 0.31 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1ai6 h THR 265 CO 0.01 0.05 0.07 -0.33 0.37 0.00 0.00 175.52 175.69 1ai6 h GLU 266 N 0.29 0.49 0.07 6.66 4.39 -1.68 0.78 114.58 125.58 1ai6 h GLU 266 Ca 0.23 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 1ai6 h GLU 266 Cb 0.53 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1ai6 h GLU 266 CO -0.05 0.47 -0.53 0.82 -1.16 0.00 0.00 179.01 178.56 1ai6 h ILE 267 N 0.49 1.57 -0.42 3.13 2.04 -1.12 -3.21 117.51 119.98 1ai6 h ILE 267 Ca 0.11 -2.34 0.07 0.00 1.00 0.00 0.00 64.86 63.69 1ai6 h ILE 267 Cb 0.22 3.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.33 1ai6 h ILE 267 CO -0.00 0.65 0.09 0.44 0.00 0.00 0.00 178.15 179.33 1ai6 h ASP 268 N -0.48 0.01 -0.78 1.72 3.32 -1.04 -1.02 116.42 118.14 1ai6 h ASP 268 Ca -0.09 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1ai6 h ASP 268 Cb 1.37 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.94 1ai6 h ASP 268 CO 0.10 0.04 0.42 0.08 -1.72 0.00 0.00 179.24 178.17 1ai6 h ARG 269 N 0.22 0.68 -0.15 3.56 0.11 -0.94 0.82 114.38 118.69 1ai6 h ARG 269 Ca 0.20 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 60.11 1ai6 h ARG 269 Cb 0.25 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1ai6 h ARG 269 CO -0.26 0.45 -0.49 -0.07 0.10 0.00 0.00 179.97 179.70 1ai6 h LEU 270 N 0.70 0.42 -0.18 0.08 3.38 -1.29 -2.19 115.31 116.23 1ai6 h LEU 270 Ca 0.39 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1ai6 h LEU 270 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1ai6 h LEU 270 CO -0.27 0.84 -0.50 -0.07 0.09 0.00 0.00 178.44 178.53 1ai6 h LEU 271 N 0.31 0.00 0.00 1.67 3.38 -0.60 -3.10 115.31 116.97 1ai6 h LEU 271 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1ai6 h LEU 271 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1ai6 h LEU 271 CO 0.08 0.50 -0.33 -0.33 0.09 0.00 0.00 178.44 178.46 1ai6 h GLU 272 N 0.00 0.00 0.00 1.13 5.08 -0.72 -3.33 114.58 116.73 1ai6 h GLU 272 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ai6 h GLU 272 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ai6 h GLU 272 CO 0.07 0.19 -0.06 0.37 -1.00 0.00 0.00 179.01 178.58 1ai6 h GLN 273 N 0.00 0.00 -5.68 2.33 4.15 -1.31 -3.42 115.11 111.18 1ai6 h GLN 273 Ca -0.01 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.81 1ai6 h GLN 273 Cb 1.17 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.55 1ai6 h GLN 273 CO 0.03 0.06 -0.85 0.15 -1.93 0.00 0.00 178.83 176.28 1ai6 s LYS 274 N -4.62 1.85 0.14 1.69 1.02 -1.25 -5.04 119.74 113.53 1ai6 s LYS 274 Ca -0.04 -0.70 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1ai6 s LYS 274 Cb 0.15 -1.67 -0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1ai6 s LYS 274 CO 0.60 0.34 1.72 -1.35 -0.92 0.00 0.00 175.35 175.75 1ai6 h PRO 275 N 5.98 0.56 -5.14 -1.68 0.11 -1.87 -3.44 132.00 126.52 1ai6 h PRO 275 Ca -0.35 -0.08 -0.35 0.00 0.11 0.00 0.00 66.00 65.33 1ai6 h PRO 275 Cb 1.16 -0.10 -0.18 0.00 0.11 0.00 0.00 31.00 31.99 1ai6 h PRO 275 CO 0.48 0.48 -0.74 1.03 -0.21 0.00 0.00 178.00 179.04 1ai6 s ARG 276 N -5.75 0.93 -0.02 1.05 0.52 -1.26 -4.69 118.95 109.73 1ai6 s ARG 276 Ca -0.13 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 53.93 1ai6 s ARG 276 Cb 0.10 -0.68 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 1ai6 s ARG 276 CO 0.74 0.11 -0.20 -0.51 0.02 0.00 0.00 175.30 175.46 1ai6 s LEU 277 N -2.51 2.03 0.76 2.53 1.02 -0.13 -4.87 118.68 117.51 1ai6 s LEU 277 Ca 0.08 -0.37 -0.08 0.00 0.02 0.00 0.00 54.13 53.78 1ai6 s LEU 277 Cb -0.03 -1.06 0.10 0.00 0.02 0.00 0.00 46.19 45.22 1ai6 s LEU 277 CO 0.01 0.24 1.07 0.42 0.02 0.00 0.00 176.35 178.12 1ai6 s THR 278 N -0.43 2.19 0.10 5.49 -4.23 -1.26 -0.31 115.64 117.21 1ai6 s THR 278 Ca 0.07 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 1ai6 s THR 278 Cb -0.08 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1ai6 s THR 278 CO -0.00 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.80 1ai6 h ALA 279 N -0.79 0.00 -0.53 3.99 0.00 -1.95 0.19 119.26 120.17 1ai6 h ALA 279 Ca -0.43 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ai6 h ALA 279 Cb 1.29 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ai6 h ALA 279 CO 0.53 -0.52 0.27 -0.44 0.00 0.00 0.00 179.25 179.09 1ai6 h ASP 280 N -0.05 0.65 0.31 0.00 3.32 -1.96 -0.38 116.42 118.31 1ai6 h ASP 280 Ca 0.03 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1ai6 h ASP 280 Cb 0.10 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ai6 h ASP 280 CO -0.08 0.53 -0.79 1.56 -1.72 0.00 0.00 179.24 178.75 1ai6 h GLN 281 N 0.73 0.38 -0.35 3.56 4.20 -1.53 -1.67 115.11 120.43 1ai6 h GLN 281 Ca 0.19 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1ai6 h GLN 281 Cb 0.04 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1ai6 h GLN 281 CO -0.03 0.99 -0.01 0.00 -0.67 0.00 0.00 178.83 179.11 1ai6 h ALA 282 N 0.90 1.32 -0.20 3.87 0.00 -0.01 -1.81 119.26 123.33 1ai6 h ALA 282 Ca -0.04 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1ai6 h ALA 282 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ai6 h ALA 282 CO 0.13 0.46 -0.50 2.35 0.00 0.00 0.00 179.25 181.70 1ai6 h TRP 283 N 0.53 0.67 0.00 0.00 2.91 -0.93 -3.10 115.95 116.02 1ai6 h TRP 283 Ca 0.11 -0.22 -0.00 0.00 1.13 0.00 0.00 58.89 59.91 1ai6 h TRP 283 Cb 0.36 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1ai6 h TRP 283 CO 0.01 0.93 -0.02 0.22 -1.03 0.00 0.00 178.44 178.55 1ai6 h ASP 284 N 0.43 0.00 0.06 2.65 3.58 -0.42 -1.33 116.42 121.38 1ai6 h ASP 284 Ca 0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1ai6 h ASP 284 Cb 1.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 1ai6 h ASP 284 CO 0.09 0.02 -0.03 0.58 -2.88 0.00 0.00 179.24 177.02 1ai6 h VAL 285 N 0.00 0.74 0.23 2.25 2.07 -1.43 -0.39 116.25 119.72 1ai6 h VAL 285 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ai6 h VAL 285 Cb 0.04 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ai6 h VAL 285 CO 0.00 0.03 -0.11 0.40 0.02 0.00 0.00 177.57 177.91 1ai6 h ILE 286 N 0.00 0.77 -0.78 4.57 2.04 -1.41 -1.54 117.51 121.16 1ai6 h ILE 286 Ca -0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ai6 h ILE 286 Cb 0.07 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1ai6 h ILE 286 CO 0.00 0.00 0.45 -0.09 0.00 0.00 0.00 178.15 178.52 1ai6 h ARG 287 N -0.32 1.07 0.02 2.37 2.43 -1.22 -1.59 114.38 117.14 1ai6 h ARG 287 Ca -0.03 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ai6 h ARG 287 Cb 0.25 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ai6 h ARG 287 CO 0.05 0.77 -0.01 1.96 -1.51 0.00 0.00 179.97 181.23 1ai6 h GLN 288 N 1.07 -0.02 0.00 0.20 4.20 -1.36 -3.16 115.11 116.04 1ai6 h GLN 288 Ca 0.28 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 1ai6 h GLN 288 Cb -0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ai6 h GLN 288 CO -0.05 0.29 -0.21 1.79 -0.67 0.00 0.00 178.83 179.99 1ai6 h THR 289 N -0.34 0.64 -0.98 -0.54 1.35 -1.26 -1.66 112.91 110.12 1ai6 h THR 289 Ca -0.00 -0.93 0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1ai6 h THR 289 Cb 0.33 1.60 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 1ai6 h THR 289 CO 0.00 0.20 0.64 0.28 -0.25 0.00 0.00 175.52 176.40 1ai6 h SER 290 N 0.00 1.09 -0.01 5.36 0.02 -1.27 -3.26 113.55 115.47 1ai6 h SER 290 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ai6 h SER 290 Cb 0.58 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ai6 h SER 290 CO 0.03 0.76 -0.45 0.54 -1.14 0.00 0.00 176.83 176.57 1ai6 n ARG 291 N -4.42 1.34 -2.29 3.45 1.74 -0.67 -0.99 116.66 114.81 1ai6 n ARG 291 Ca 0.13 -0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 55.85 1ai6 n ARG 291 Cb 0.07 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1ai6 n ARG 291 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1ai6 s GLN 292 N -2.32 4.34 0.13 5.56 2.00 -0.92 -0.71 119.66 127.74 1ai6 s GLN 292 Ca 0.17 1.90 -0.30 0.00 -2.00 0.00 0.00 55.36 55.13 1ai6 s GLN 292 Cb 0.17 -3.44 -0.07 0.00 0.80 0.00 0.00 33.01 30.47 1ai6 s GLN 292 CO 0.53 -0.45 1.19 0.34 -0.50 0.00 0.00 175.29 176.40 1ai6 s ASP 293 N 1.44 7.11 0.00 6.67 -1.08 0.19 -4.94 116.67 126.06 1ai6 s ASP 293 Ca 0.62 2.12 0.26 0.00 -0.52 0.00 0.00 52.55 55.03 1ai6 s ASP 293 Cb -0.31 -2.59 0.70 0.00 -1.46 0.00 0.00 42.92 39.26 1ai6 s ASP 293 CO 0.27 -0.39 1.54 0.18 0.52 0.00 0.00 175.17 177.29 1ai6 n LEU 294 N 3.12 0.66 -0.01 -1.34 4.77 -1.26 -4.17 117.00 118.77 1ai6 n LEU 294 Ca 0.06 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1ai6 n LEU 294 Cb 0.46 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1ai6 n LEU 294 CO 0.55 0.14 -0.60 0.59 -1.33 0.00 0.00 177.39 176.74 1ai6 n ASN 295 N -1.15 0.31 0.09 -1.43 4.13 -1.26 -4.55 115.26 111.40 1ai6 n ASN 295 Ca 0.09 -0.22 -0.14 0.00 1.68 0.00 0.00 54.58 55.99 1ai6 n ASN 295 Cb 0.33 1.76 -0.07 0.00 -1.54 0.00 0.00 39.78 40.26 1ai6 n ASN 295 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ai6 h LEU 296 N 0.00 -1.24 -0.77 3.41 5.85 -1.98 -2.32 115.31 118.25 1ai6 h LEU 296 Ca 0.00 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.03 1ai6 h LEU 296 Cb 0.87 0.47 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 1ai6 h LEU 296 CO 0.00 -0.47 0.27 -0.09 -0.34 0.00 0.00 178.44 177.81 1ai6 h ARG 297 N -0.61 0.36 -0.29 1.25 2.43 -1.85 -1.29 114.38 114.37 1ai6 h ARG 297 Ca 0.03 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1ai6 h ARG 297 Cb 0.66 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1ai6 h ARG 297 CO -0.27 0.24 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.19 1ai6 h LEU 298 N 0.37 0.64 -2.49 3.80 3.38 -1.67 -3.37 115.31 115.97 1ai6 h LEU 298 Ca 0.44 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ai6 h LEU 298 Cb 0.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ai6 h LEU 298 CO -0.47 0.92 0.00 0.49 0.09 0.00 0.00 178.44 179.47 1ai6 n PHE 299 N -4.40 0.13 -0.04 1.13 3.72 -1.04 -4.75 117.46 112.21 1ai6 n PHE 299 Ca -0.03 -0.37 -0.13 0.00 -0.05 0.00 0.00 57.45 56.87 1ai6 n PHE 299 Cb 0.38 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.82 1ai6 n PHE 299 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ai6 h LEU 300 N 0.81 0.26 -0.83 4.37 5.85 -1.40 -2.13 115.31 122.24 1ai6 h LEU 300 Ca 0.00 -0.42 0.15 0.00 0.84 0.00 0.00 57.88 58.44 1ai6 h LEU 300 Cb 0.48 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 1ai6 h LEU 300 CO 0.00 0.63 0.41 -0.65 -0.34 0.00 0.00 178.44 178.49 1ai6 h PRO 301 N -0.10 0.56 -0.53 5.25 0.11 -1.85 -0.58 132.00 134.86 1ai6 h PRO 301 Ca 0.03 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1ai6 h PRO 301 Cb 0.53 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1ai6 h PRO 301 CO 0.02 0.37 0.05 1.15 -0.21 0.00 0.00 178.00 179.38 1ai6 h THR 302 N 0.58 1.24 -0.13 -1.15 2.02 -1.81 -1.69 112.91 111.98 1ai6 h THR 302 Ca 0.46 -0.98 -0.16 0.00 0.77 0.00 0.00 66.41 66.50 1ai6 h THR 302 Cb 0.66 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1ai6 h THR 302 CO -0.38 0.35 -0.58 -0.07 0.37 0.00 0.00 175.52 175.21 1ai6 h LEU 303 N 0.81 0.47 -0.11 2.58 3.38 -0.66 -2.65 115.31 119.14 1ai6 h LEU 303 Ca 0.16 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ai6 h LEU 303 Cb 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ai6 h LEU 303 CO 0.01 0.95 -0.10 1.56 0.09 0.00 0.00 178.44 180.95 1ai6 h GLN 304 N 0.31 0.26 -0.64 1.13 4.20 -0.90 -2.97 115.11 116.51 1ai6 h GLN 304 Ca -0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1ai6 h GLN 304 Cb 1.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 1ai6 h GLN 304 CO 0.10 0.67 0.41 0.00 -0.67 0.00 0.00 178.83 179.34 1ai6 h ALA 305 N 0.59 0.81 0.00 3.87 0.00 -1.37 -2.28 119.26 120.88 1ai6 h ALA 305 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ai6 h ALA 305 Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ai6 h ALA 305 CO 0.03 0.26 -0.12 0.00 0.00 0.00 0.00 179.25 179.42 1ai6 h ALA 306 N 1.22 1.01 -0.34 0.00 0.00 -1.49 -3.16 119.26 116.49 1ai6 h ALA 306 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ai6 h ALA 306 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ai6 h ALA 306 CO -0.05 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1ai6 n THR 307 N -3.25 1.11 -0.01 0.00 -2.24 -0.98 -4.66 114.28 104.25 1ai6 n THR 307 Ca 0.01 -1.07 -0.01 0.00 -2.27 0.00 0.00 64.05 60.71 1ai6 n THR 307 Cb 0.39 0.44 0.27 0.00 -2.10 0.00 0.00 70.33 69.33 1ai6 n THR 307 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ai6 h SER 308 N 2.03 0.51 -0.46 3.42 4.64 -1.39 -2.83 113.55 119.46 1ai6 h SER 308 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ai6 h SER 308 Cb 0.79 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1ai6 h SER 308 CO 0.02 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1ai6 n GLY 309 N -0.79 2.16 3.89 -0.77 0.00 -1.26 -4.94 105.19 103.49 1ai6 n GLY 309 Ca 0.01 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1ai6 n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ai6 s LEU 310 N -1.60 4.25 0.61 0.99 1.43 -1.07 -5.08 118.68 118.21 1ai6 s LEU 310 Ca 0.38 0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 1ai6 s LEU 310 Cb 0.26 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1ai6 s LEU 310 CO 0.16 0.04 1.05 0.42 0.23 0.00 0.00 176.35 178.25 1ai6 s THR 311 N -1.67 3.97 0.57 5.49 -4.23 -1.26 -4.95 115.64 113.55 1ai6 s THR 311 Ca 0.42 0.86 0.26 0.00 -1.18 0.00 0.00 61.69 62.04 1ai6 s THR 311 Cb -0.12 -3.44 0.36 0.00 1.34 0.00 0.00 72.50 70.64 1ai6 s THR 311 CO 0.24 -0.62 2.08 -0.61 -0.54 0.00 0.00 174.62 175.16 1ai6 h GLN 312 N 0.22 0.00 -0.12 3.99 4.15 -1.98 -0.12 115.11 121.26 1ai6 h GLN 312 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1ai6 h GLN 312 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1ai6 h GLN 312 CO 0.58 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.35 1ai6 n SER 313 N -4.04 1.79 -4.65 -0.69 3.41 -1.26 -4.73 113.62 103.45 1ai6 n SER 313 Ca 0.03 -1.67 -0.43 0.00 -0.26 0.00 0.00 58.87 56.55 1ai6 n SER 313 Cb 0.37 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1ai6 n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ai6 s ASP 314 N -1.74 7.01 0.26 4.04 -1.08 -0.06 -4.92 116.67 120.18 1ai6 s ASP 314 Ca 0.35 1.23 -0.03 0.00 -0.52 0.00 0.00 52.55 53.58 1ai6 s ASP 314 Cb 0.19 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.53 1ai6 s ASP 314 CO 0.29 -0.72 1.85 -0.65 0.52 0.00 0.00 175.17 176.47 1ai6 h PRO 315 N 7.68 0.99 -0.99 4.34 0.11 -1.86 -1.34 132.00 140.91 1ai6 h PRO 315 Ca -0.20 -0.06 0.14 0.00 0.11 0.00 0.00 66.00 65.99 1ai6 h PRO 315 Cb 1.06 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 31.86 1ai6 h PRO 315 CO 0.98 0.65 0.61 0.00 -0.21 0.00 0.00 178.00 180.04 1ai6 h ARG 316 N 1.02 0.87 -0.35 1.05 3.08 -1.91 0.01 114.38 118.14 1ai6 h ARG 316 Ca 0.42 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.26 1ai6 h ARG 316 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ai6 h ARG 316 CO -0.20 0.58 -0.39 -0.09 -1.07 0.00 0.00 179.97 178.80 1ai6 h ARG 317 N 0.90 0.85 -0.43 0.04 2.43 -1.58 -2.89 114.38 113.70 1ai6 h ARG 317 Ca 0.52 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ai6 h ARG 317 Cb 0.62 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1ai6 h ARG 317 CO -0.31 1.08 0.27 1.96 -1.51 0.00 0.00 179.97 181.46 1ai6 h GLN 318 N 0.70 0.58 -0.52 0.20 4.20 -0.37 0.02 115.11 119.92 1ai6 h GLN 318 Ca 0.06 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1ai6 h GLN 318 Cb 0.96 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.53 1ai6 h GLN 318 CO 0.09 0.42 0.00 -0.07 -0.67 0.00 0.00 178.83 178.60 1ai6 h LEU 319 N 0.58 -0.22 -1.29 1.46 3.38 -1.17 0.48 115.31 118.53 1ai6 h LEU 319 Ca 0.16 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1ai6 h LEU 319 Cb -0.02 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ai6 h LEU 319 CO -0.03 -0.08 -0.35 0.58 0.09 0.00 0.00 178.44 178.65 1ai6 h VAL 320 N 0.12 1.18 -0.05 1.22 2.07 -1.22 -2.41 116.25 117.15 1ai6 h VAL 320 Ca 0.26 -1.23 -0.19 0.00 0.82 0.00 0.00 66.70 66.37 1ai6 h VAL 320 Cb 0.40 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1ai6 h VAL 320 CO -0.43 0.34 -0.76 -0.33 0.02 0.00 0.00 177.57 176.40 1ai6 h GLU 321 N 0.00 0.34 -0.08 1.57 5.08 0.10 -0.72 114.58 120.87 1ai6 h GLU 321 Ca -0.00 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1ai6 h GLU 321 Cb 0.65 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1ai6 h GLU 321 CO 0.05 0.95 -0.09 1.15 -1.00 0.00 0.00 179.01 180.07 1ai6 h THR 322 N 0.22 0.74 -0.85 1.13 2.02 -0.94 -2.52 112.91 112.71 1ai6 h THR 322 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ai6 h THR 322 Cb 1.35 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1ai6 h THR 322 CO 0.13 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.49 1ai6 h LEU 323 N -0.12 0.90 -1.61 2.58 3.38 -1.29 -2.55 115.31 116.60 1ai6 h LEU 323 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ai6 h LEU 323 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ai6 h LEU 323 CO -0.16 0.62 -0.20 0.74 0.09 0.00 0.00 178.44 179.53 1ai6 h THR 324 N 1.06 1.13 0.00 0.22 2.02 -0.84 -2.70 112.91 113.80 1ai6 h THR 324 Ca 0.34 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1ai6 h THR 324 Cb 0.02 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1ai6 h THR 324 CO -0.12 0.19 -0.12 0.03 0.37 0.00 0.00 175.52 175.87 1ai6 h ARG 325 N 0.00 0.00 -6.42 6.66 3.08 -1.03 -3.46 114.38 113.20 1ai6 h ARG 325 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 1ai6 h ARG 325 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1ai6 h ARG 325 CO 0.03 0.00 0.09 -0.46 -1.07 0.00 0.00 179.97 178.55 1ai6 s TRP 326 N -3.14 3.84 -2.05 3.04 -0.00 -1.02 -4.98 118.94 114.63 1ai6 s TRP 326 Ca 0.09 1.47 0.26 0.00 -0.00 0.00 0.00 56.10 57.91 1ai6 s TRP 326 Cb 0.11 -2.64 0.60 0.00 -0.00 0.00 0.00 33.47 31.53 1ai6 s TRP 326 CO 0.64 0.52 1.47 -0.40 -0.00 0.00 0.00 176.95 179.18 1ai6 n ASP 327 N 1.53 1.48 0.00 5.86 5.68 -1.26 -4.96 116.55 124.88 1ai6 n ASP 327 Ca -0.07 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1ai6 n ASP 327 Cb 0.50 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1ai6 n ASP 327 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ai6 n GLY 328 N 1.33 0.82 3.61 6.12 0.00 -1.26 -4.95 105.19 110.86 1ai6 n GLY 328 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ai6 n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ai6 s ILE 329 N -3.24 4.67 0.12 -0.61 -1.09 -1.26 -0.64 121.20 119.15 1ai6 s ILE 329 Ca 0.00 1.28 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 1ai6 s ILE 329 Cb 0.00 -4.26 -0.06 0.00 -1.58 0.00 0.00 42.46 36.56 1ai6 s ILE 329 CO 0.00 -0.39 1.07 0.20 -1.23 0.00 0.00 174.94 174.59 1ai6 s ASN 330 N 1.71 7.30 -0.02 3.58 0.02 0.11 -4.98 114.94 122.66 1ai6 s ASN 330 Ca 0.37 1.96 0.03 0.00 -1.02 0.00 0.00 52.86 54.19 1ai6 s ASN 330 Cb -0.13 -2.59 -0.00 0.00 0.02 0.00 0.00 41.25 38.55 1ai6 s ASN 330 CO 0.15 -0.24 -0.09 -0.76 0.02 0.00 0.00 177.10 176.19 1ai6 s LEU 331 N 0.15 1.89 0.43 0.60 1.43 -1.26 -4.86 118.68 117.05 1ai6 s LEU 331 Ca 0.51 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 1ai6 s LEU 331 Cb -0.27 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.36 1ai6 s LEU 331 CO 0.32 0.09 1.15 -0.76 0.23 0.00 0.00 176.35 177.38 1ai6 s LEU 332 N 0.00 4.11 0.00 1.79 1.43 -1.26 -1.46 118.68 123.29 1ai6 s LEU 332 Ca 0.00 2.29 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 1ai6 s LEU 332 Cb -0.06 -4.14 0.27 0.00 0.03 0.00 0.00 46.19 42.29 1ai6 s LEU 332 CO 0.00 -0.76 1.08 0.59 0.23 0.00 0.00 176.35 177.49 1ai6 n ASN 333 N -0.18 -1.58 0.24 2.29 3.02 0.58 -4.75 115.26 114.88 1ai6 n ASN 333 Ca 0.06 -1.20 0.11 0.00 -0.03 0.00 0.00 54.58 53.52 1ai6 n ASN 333 Cb 0.47 -0.95 0.62 0.00 -0.61 0.00 0.00 39.78 39.32 1ai6 n ASN 333 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1ai6 h ASP 334 N -2.41 0.00 0.60 6.41 3.32 -1.97 -2.45 116.42 119.92 1ai6 h ASP 334 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1ai6 h ASP 334 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ai6 h ASP 334 CO 0.26 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.05 1ai6 n ASP 335 N -3.64 0.41 -1.69 6.45 5.68 -1.26 -4.88 116.55 117.61 1ai6 n ASP 335 Ca -0.01 0.61 -0.16 0.00 -0.50 0.00 0.00 54.79 54.72 1ai6 n ASP 335 Cb 0.30 -0.69 -0.03 0.00 -1.14 0.00 0.00 41.12 39.56 1ai6 n ASP 335 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ai6 n GLY 336 N -0.09 0.29 0.00 6.12 0.00 -0.92 -4.78 105.19 105.80 1ai6 n GLY 336 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ai6 n GLY 336 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ai6 n LYS 337 N -2.57 0.00 -4.30 1.61 2.85 -1.26 -4.92 118.16 109.57 1ai6 n LYS 337 Ca -0.19 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.84 1ai6 n LYS 337 Cb 0.62 -0.06 -0.12 0.00 -0.65 0.00 0.00 35.03 34.82 1ai6 n LYS 337 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1ai6 s THR 338 N 0.00 1.74 0.42 0.58 -4.23 -1.26 -1.26 115.64 111.64 1ai6 s THR 338 Ca 0.00 -1.68 -0.15 0.00 -1.18 0.00 0.00 61.69 58.68 1ai6 s THR 338 Cb 0.00 -1.66 -0.08 0.00 1.34 0.00 0.00 72.50 72.10 1ai6 s THR 338 CO 0.00 -0.16 0.86 0.26 -0.54 0.00 0.00 174.62 175.04 1ai6 s TRP 339 N -1.50 3.41 0.35 3.99 0.51 0.62 -0.31 118.94 126.01 1ai6 s TRP 339 Ca 0.10 1.31 0.13 0.00 -2.12 0.00 0.00 56.10 55.52 1ai6 s TRP 339 Cb -0.08 -2.64 0.69 0.00 -0.81 0.00 0.00 33.47 30.63 1ai6 s TRP 339 CO 0.05 -0.14 1.80 1.96 -0.51 0.00 0.00 176.95 180.11 1ai6 h GLN 340 N 1.49 0.00 -5.85 4.98 4.20 -1.55 -3.38 115.11 115.00 1ai6 h GLN 340 Ca -0.48 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.72 1ai6 h GLN 340 Cb 1.18 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.73 1ai6 h GLN 340 CO 0.63 0.40 -0.81 -0.65 -0.67 0.00 0.00 178.83 177.73 1ai6 s GLN 341 N -4.08 1.07 0.00 1.46 -1.52 -1.26 -5.04 119.66 110.30 1ai6 s GLN 341 Ca -0.02 -1.02 0.20 0.00 -1.95 0.00 0.00 55.36 52.57 1ai6 s GLN 341 Cb 0.14 -1.22 0.80 0.00 -0.22 0.00 0.00 33.01 32.51 1ai6 s GLN 341 CO 0.72 0.29 1.57 -0.35 -0.25 0.00 0.00 175.29 177.27 1ai6 n PRO 342 N 1.36 1.62 -0.38 2.91 -0.04 -1.26 -4.64 135.00 134.58 1ai6 n PRO 342 Ca -0.19 -0.94 -0.02 0.00 -0.04 0.00 0.00 63.50 62.31 1ai6 n PRO 342 Cb 0.54 -1.38 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1ai6 n PRO 342 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ai6 n GLY 343 N 1.08 -2.10 0.31 0.55 0.00 -1.26 -1.50 105.19 102.27 1ai6 n GLY 343 Ca 0.16 1.11 -0.09 0.00 0.00 0.00 0.00 46.02 47.20 1ai6 n GLY 343 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ai6 h SER 344 N 0.00 1.05 -0.71 1.61 0.02 -1.99 -1.24 113.55 112.30 1ai6 h SER 344 Ca 0.32 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ai6 h SER 344 Cb 0.57 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1ai6 h SER 344 CO -0.97 1.09 0.36 0.00 -1.14 0.00 0.00 176.83 176.17 1ai6 h ALA 345 N 1.01 0.91 0.09 3.77 0.00 -1.61 0.13 119.26 123.56 1ai6 h ALA 345 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ai6 h ALA 345 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ai6 h ALA 345 CO 0.03 0.45 -0.04 0.82 0.00 0.00 0.00 179.25 180.51 1ai6 h ILE 346 N 0.98 0.97 -0.54 0.00 2.04 -1.03 -1.04 117.51 118.88 1ai6 h ILE 346 Ca 0.25 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ai6 h ILE 346 Cb 0.08 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ai6 h ILE 346 CO -0.03 0.05 0.27 -0.07 0.00 0.00 0.00 178.15 178.36 1ai6 h LEU 347 N -0.20 0.67 0.24 1.44 3.38 -1.13 0.09 115.31 119.80 1ai6 h LEU 347 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ai6 h LEU 347 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ai6 h LEU 347 CO 0.02 0.57 -0.11 -1.13 0.09 0.00 0.00 178.44 177.87 1ai6 h ASN 348 N 0.76 -0.27 -0.56 -0.43 -0.00 -0.45 0.12 115.58 114.75 1ai6 h ASN 348 Ca 0.19 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1ai6 h ASN 348 Cb 0.07 0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1ai6 h ASN 348 CO -0.03 -0.06 0.25 0.58 -0.00 0.00 0.00 177.43 178.17 1ai6 h VAL 349 N -0.48 1.21 -0.04 2.57 2.07 -0.81 -2.07 116.25 118.70 1ai6 h VAL 349 Ca -0.03 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1ai6 h VAL 349 Cb 0.36 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1ai6 h VAL 349 CO 0.05 0.25 -0.19 -0.25 0.02 0.00 0.00 177.57 177.45 1ai6 h TRP 350 N 0.77 -0.51 -0.88 1.57 7.01 -0.91 -1.65 115.95 121.34 1ai6 h TRP 350 Ca 0.19 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.21 1ai6 h TRP 350 Cb 0.16 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 1ai6 h TRP 350 CO 0.00 -0.27 0.57 1.25 -2.79 0.00 0.00 178.44 177.19 1ai6 h LEU 351 N -0.29 1.03 -0.81 0.65 5.85 -0.90 0.16 115.31 120.99 1ai6 h LEU 351 Ca 0.07 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ai6 h LEU 351 Cb 0.39 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1ai6 h LEU 351 CO -0.21 0.77 0.49 0.74 -0.34 0.00 0.00 178.44 179.89 1ai6 h THR 352 N 1.20 1.23 -0.32 1.05 2.02 -0.90 -0.69 112.91 116.51 1ai6 h THR 352 Ca 0.32 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1ai6 h THR 352 Cb -0.10 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1ai6 h THR 352 CO -0.07 0.24 -0.05 -1.28 0.37 0.00 0.00 175.52 174.73 1ai6 h SER 353 N 1.11 0.59 -0.88 4.18 0.87 -0.30 -2.61 113.55 116.52 1ai6 h SER 353 Ca 0.29 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1ai6 h SER 353 Cb -0.05 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.71 1ai6 h SER 353 CO -0.06 0.79 0.58 0.24 -0.53 0.00 0.00 176.83 177.85 1ai6 h MET 354 N 0.37 1.11 -0.18 2.24 2.07 -0.47 -1.76 114.93 118.31 1ai6 h MET 354 Ca 0.08 -0.07 -0.16 0.00 -2.07 0.00 0.00 59.70 57.49 1ai6 h MET 354 Cb 0.52 -0.25 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 1ai6 h MET 354 CO 0.03 0.74 -0.49 -0.07 1.07 0.00 0.00 176.91 178.18 1ai6 h LEU 355 N 1.15 0.75 -0.79 1.22 3.38 -1.13 -2.23 115.31 117.66 1ai6 h LEU 355 Ca 0.34 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ai6 h LEU 355 Cb -0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 1ai6 h LEU 355 CO -0.10 1.20 0.45 0.50 0.09 0.00 0.00 178.44 180.58 1ai6 h LYS 356 N 0.35 0.75 0.00 1.13 3.64 -1.08 -1.81 116.57 119.55 1ai6 h LYS 356 Ca -0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1ai6 h LYS 356 Cb 1.11 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1ai6 h LYS 356 CO 0.11 0.50 -0.38 0.00 -2.27 0.00 0.00 179.45 177.41 1ai6 h ARG 357 N 0.78 0.00 0.00 1.90 3.08 -1.26 -3.22 114.38 115.66 1ai6 h ARG 357 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ai6 h ARG 357 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ai6 h ARG 357 CO -0.23 0.38 0.00 0.25 -1.07 0.00 0.00 179.97 179.30 1ai6 n THR 358 N -3.72 0.00 -0.06 2.04 -2.24 -0.85 -4.69 114.28 104.76 1ai6 n THR 358 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1ai6 n THR 358 Cb 0.46 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1ai6 n THR 358 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ai6 h VAL 359 N 0.00 0.83 -0.43 2.28 2.07 -1.75 -2.44 116.25 116.82 1ai6 h VAL 359 Ca 0.00 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1ai6 h VAL 359 Cb 0.00 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1ai6 h VAL 359 CO 0.00 0.02 0.21 0.58 0.02 0.00 0.00 177.57 178.39 1ai6 h VAL 360 N 0.10 0.96 -0.86 2.57 2.07 -1.56 -2.52 116.25 117.02 1ai6 h VAL 360 Ca 0.12 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1ai6 h VAL 360 Cb 0.15 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1ai6 h VAL 360 CO -0.19 0.08 0.56 0.00 0.02 0.00 0.00 177.57 178.03 1ai6 h ALA 361 N 1.23 1.65 0.00 1.67 0.00 -1.45 -2.23 119.26 120.13 1ai6 h ALA 361 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ai6 h ALA 361 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ai6 h ALA 361 CO -0.14 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 1ai6 n ALA 362 N -2.42 2.38 -2.82 0.00 0.00 -0.96 -4.82 120.51 111.87 1ai6 n ALA 362 Ca 0.14 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1ai6 n ALA 362 Cb 0.29 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 1ai6 n ALA 362 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ai6 s VAL 363 N -3.03 4.15 0.52 0.00 1.01 -0.84 -5.08 120.40 117.12 1ai6 s VAL 363 Ca 0.13 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1ai6 s VAL 363 Cb 0.17 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1ai6 s VAL 363 CO 0.56 0.53 1.32 -2.84 0.00 0.00 0.00 175.10 174.67 1ai6 s PRO 364 N -0.11 3.33 0.44 2.72 0.02 -1.26 -4.26 135.00 135.88 1ai6 s PRO 364 Ca 0.03 2.15 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 1ai6 s PRO 364 Cb -0.13 -2.33 -0.08 0.00 0.02 0.00 0.00 34.50 31.98 1ai6 s PRO 364 CO 0.02 -1.01 1.30 -1.64 -0.33 0.00 0.00 177.00 175.35 1ai6 s MET 365 N -2.81 3.78 -0.20 5.54 -1.94 -1.26 -1.52 119.30 120.89 1ai6 s MET 365 Ca 0.69 2.13 0.15 0.00 -1.71 0.00 0.00 55.69 56.95 1ai6 s MET 365 Cb -0.38 -2.61 0.75 0.00 2.01 0.00 0.00 34.83 34.59 1ai6 s MET 365 CO 0.46 -0.64 1.67 -0.35 -0.01 0.00 0.00 175.02 176.14 1ai6 n PRO 366 N -0.18 4.31 0.10 2.03 -0.04 -1.26 -4.89 135.00 135.08 1ai6 n PRO 366 Ca 0.05 -3.04 0.13 0.00 -0.04 0.00 0.00 63.50 60.60 1ai6 n PRO 366 Cb 0.44 -2.11 0.39 0.00 -0.04 0.00 0.00 33.50 32.19 1ai6 n PRO 366 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ai6 n PHE 367 N 0.52 0.91 -0.08 0.54 3.72 -0.58 -3.43 117.46 119.08 1ai6 n PHE 367 Ca 0.26 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 58.04 1ai6 n PHE 367 Cb 1.08 -0.93 0.50 0.00 -0.94 0.00 0.00 39.48 39.18 1ai6 n PHE 367 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1ai6 h ASP 368 N 0.00 0.37 0.24 4.37 2.03 -1.61 -2.33 116.42 119.49 1ai6 h ASP 368 Ca 0.00 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ai6 h ASP 368 Cb 0.74 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1ai6 h ASP 368 CO 0.00 0.23 -0.01 0.11 -1.03 0.00 0.00 179.24 178.54 1ai6 h LYS 369 N 0.42 0.00 0.00 4.15 6.56 -1.89 -1.89 116.57 123.92 1ai6 h LYS 369 Ca 0.27 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.84 1ai6 h LYS 369 Cb 0.50 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1ai6 h LYS 369 CO -0.07 0.01 -0.06 -1.49 -2.06 0.00 0.00 179.45 175.78 1ai6 h TRP 370 N 0.00 0.00 -0.06 -1.35 6.55 -1.65 -3.26 115.95 116.18 1ai6 h TRP 370 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1ai6 h TRP 370 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1ai6 h TRP 370 CO 0.00 0.06 0.00 0.66 -1.05 0.00 0.00 178.44 178.11 1ai6 n TYR 371 N -3.22 0.08 0.30 0.49 4.01 -0.71 -4.72 117.16 113.39 1ai6 n TYR 371 Ca -0.00 -0.20 0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1ai6 n TYR 371 Cb 0.29 -0.02 0.21 0.00 -0.31 0.00 0.00 39.34 39.51 1ai6 n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ai6 h SER 372 N 0.93 0.00 -3.93 7.72 4.64 -1.59 -3.38 113.55 117.93 1ai6 h SER 372 Ca 0.00 -0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 1ai6 h SER 372 Cb 0.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1ai6 h SER 372 CO 0.00 0.00 0.40 0.00 -0.87 0.00 0.00 176.83 176.37 1ai6 s ALA 373 N -3.20 3.14 -0.25 5.18 0.00 -1.26 -4.85 121.76 120.51 1ai6 s ALA 373 Ca 0.07 0.68 0.20 0.00 0.00 0.00 0.00 51.96 52.92 1ai6 s ALA 373 Cb 0.07 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 20.00 1ai6 s ALA 373 CO 0.66 -0.13 1.20 0.66 0.00 0.00 0.00 175.76 178.16 1ai6 h SER 374 N 2.75 0.00 0.00 0.00 4.64 -1.91 -3.43 113.55 115.60 1ai6 h SER 374 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ai6 h SER 374 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ai6 h SER 374 CO 0.63 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1ai6 n GLY 375 N 1.21 0.96 0.25 -0.77 0.00 -1.26 -4.44 105.19 101.13 1ai6 n GLY 375 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1ai6 n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ai6 n TYR 376 N -2.08 0.00 -1.68 1.61 4.01 -1.26 -4.66 117.16 113.11 1ai6 n TYR 376 Ca 0.00 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.27 1ai6 n TYR 376 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 1ai6 n TYR 376 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ai6 n GLU 377 N 0.03 2.30 -2.86 -0.72 4.71 -1.26 -4.97 120.64 117.88 1ai6 n GLU 377 Ca 0.04 0.84 -0.08 0.00 -0.01 0.00 0.00 57.16 57.96 1ai6 n GLU 377 Cb 0.19 -2.71 -0.03 0.00 -1.01 0.00 0.00 31.44 27.88 1ai6 n GLU 377 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ai6 n THR 378 N 5.15 0.00 -3.81 2.62 -2.24 -1.26 -4.85 114.28 109.89 1ai6 n THR 378 Ca 0.22 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1ai6 n THR 378 Cb 0.31 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1ai6 n THR 378 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ai6 n THR 379 N -0.26 0.00 0.07 4.28 -2.24 -1.26 -4.99 114.28 109.88 1ai6 n THR 379 Ca 0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1ai6 n THR 379 Cb 0.25 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 68.88 1ai6 n THR 379 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1ai6 h GLN 380 N 0.00 0.37 0.00 -0.78 4.15 -2.00 -1.48 115.11 115.37 1ai6 h GLN 380 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1ai6 h GLN 380 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1ai6 h GLN 380 CO 0.00 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.04 1ai6 n ASP 381 N -4.35 0.00 0.00 -0.69 8.00 -1.26 -4.63 116.55 113.61 1ai6 n ASP 381 Ca 0.01 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1ai6 n ASP 381 Cb 0.19 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1ai6 n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ai6 n GLY 382 N 0.52 -0.33 3.76 0.44 0.00 -0.56 -2.77 105.19 106.25 1ai6 n GLY 382 Ca 0.06 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1ai6 n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ai6 n PRO 383 N -0.35 2.20 0.04 1.61 -0.02 -1.26 -4.29 135.00 132.93 1ai6 n PRO 383 Ca 0.00 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 1ai6 n PRO 383 Cb 0.00 -2.60 0.51 0.00 -0.02 0.00 0.00 33.50 31.39 1ai6 n PRO 383 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ai6 n THR 384 N -0.24 0.23 -1.90 3.45 -2.24 -1.26 -4.84 114.28 107.48 1ai6 n THR 384 Ca 0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ai6 n THR 384 Cb 0.41 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1ai6 n THR 384 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ai6 n GLY 385 N 1.43 4.23 3.77 3.38 0.00 -1.26 -4.25 105.19 112.48 1ai6 n GLY 385 Ca 0.06 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1ai6 n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ai6 s SER 386 N 1.53 5.07 0.16 1.61 1.04 -1.26 -4.99 113.70 116.85 1ai6 s SER 386 Ca 0.00 2.01 -0.26 0.00 0.48 0.00 0.00 55.95 58.19 1ai6 s SER 386 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 1ai6 s SER 386 CO 0.00 -1.66 0.79 -0.76 0.98 0.00 0.00 173.24 172.60 1ai6 s LEU 387 N -4.88 4.58 0.31 2.42 1.02 -1.26 -5.08 118.68 115.79 1ai6 s LEU 387 Ca 0.67 1.65 0.05 0.00 0.02 0.00 0.00 54.13 56.52 1ai6 s LEU 387 Cb -0.21 -3.32 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 1ai6 s LEU 387 CO 0.42 0.17 0.27 0.21 0.02 0.00 0.00 176.35 177.44 1ai6 s ASN 388 N -0.98 1.34 -0.12 2.29 3.84 -1.26 -5.08 114.94 114.97 1ai6 s ASN 388 Ca 0.37 -1.67 -0.22 0.00 0.21 0.00 0.00 52.86 51.55 1ai6 s ASN 388 Cb -0.23 0.54 -0.03 0.00 -0.55 0.00 0.00 41.25 40.97 1ai6 s ASN 388 CO 0.26 -1.05 0.65 -0.63 -2.79 0.00 0.00 177.10 173.55 1ai6 s ILE 389 N -3.53 5.05 0.83 -5.21 1.01 -1.26 -4.81 121.20 113.27 1ai6 s ILE 389 Ca 0.39 1.30 -0.11 0.00 0.00 0.00 0.00 60.65 62.24 1ai6 s ILE 389 Cb 0.03 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.61 1ai6 s ILE 389 CO 0.24 0.20 1.11 -0.94 0.00 0.00 0.00 174.94 175.55 1ai6 s SER 390 N 0.93 3.87 0.10 3.58 1.04 -1.26 -4.83 113.70 117.12 1ai6 s SER 390 Ca 0.33 1.89 -0.22 0.00 0.48 0.00 0.00 55.95 58.43 1ai6 s SER 390 Cb -0.17 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.36 1ai6 s SER 390 CO 0.14 -2.45 1.72 0.58 0.98 0.00 0.00 173.24 174.20 1ai6 h VAL 391 N -1.42 0.88 -0.92 5.02 2.07 -1.87 -1.79 116.25 118.23 1ai6 h VAL 391 Ca -0.44 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1ai6 h VAL 391 Cb 1.25 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1ai6 h VAL 391 CO 0.49 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.91 1ai6 h GLY 392 N -0.04 1.37 1.96 2.17 0.00 -1.83 -0.41 103.07 106.28 1ai6 h GLY 392 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1ai6 h GLY 392 CO -0.08 0.28 -0.55 0.00 0.00 0.00 0.00 176.54 176.19 1ai6 h ALA 393 N 1.51 1.06 -0.10 3.60 0.00 -1.73 0.11 119.26 123.71 1ai6 h ALA 393 Ca 0.41 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1ai6 h ALA 393 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ai6 h ALA 393 CO -0.16 0.69 -0.71 0.87 0.00 0.00 0.00 179.25 179.94 1ai6 h LYS 394 N 0.03 0.46 -0.21 0.00 1.57 -0.60 0.90 116.57 118.71 1ai6 h LYS 394 Ca -0.00 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 1ai6 h LYS 394 Cb 0.99 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ai6 h LYS 394 CO 0.07 0.99 -0.24 0.82 -0.57 0.00 0.00 179.45 180.53 1ai6 h ILE 395 N 0.32 1.33 -0.28 1.86 2.04 -0.92 -2.99 117.51 118.87 1ai6 h ILE 395 Ca -0.03 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1ai6 h ILE 395 Cb 1.28 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1ai6 h ILE 395 CO 0.12 0.44 0.01 0.25 0.00 0.00 0.00 178.15 178.97 1ai6 h LEU 396 N 0.22 0.39 -0.90 1.44 5.85 -0.64 -2.45 115.31 119.23 1ai6 h LEU 396 Ca 0.03 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1ai6 h LEU 396 Cb 0.80 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1ai6 h LEU 396 CO 0.06 0.45 -0.02 0.22 -0.34 0.00 0.00 178.44 178.80 1ai6 h TYR 397 N 0.41 0.84 -0.59 1.25 3.20 -0.72 -1.55 116.97 119.81 1ai6 h TYR 397 Ca 0.09 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1ai6 h TYR 397 Cb 0.26 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1ai6 h TYR 397 CO 0.01 0.79 0.28 0.93 -1.64 0.00 0.00 178.16 178.53 1ai6 h GLU 398 N 0.73 0.86 -0.70 1.82 4.39 -1.30 -2.58 114.58 117.81 1ai6 h GLU 398 Ca 0.14 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ai6 h GLU 398 Cb 0.48 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1ai6 h GLU 398 CO 0.02 0.71 0.31 0.00 -1.16 0.00 0.00 179.01 178.89 1ai6 h ALA 399 N 1.11 0.90 0.00 3.43 0.00 -1.19 -1.49 119.26 122.02 1ai6 h ALA 399 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ai6 h ALA 399 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ai6 h ALA 399 CO -0.02 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.04 1ai6 n VAL 400 N -4.41 0.39 0.63 0.00 0.24 -0.63 -2.75 118.33 111.78 1ai6 n VAL 400 Ca 0.05 0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 1ai6 n VAL 400 Cb 0.15 -0.70 0.34 0.00 -1.47 0.00 0.00 33.84 32.16 1ai6 n VAL 400 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ai6 n GLN 401 N -1.45 0.26 0.00 7.34 1.13 -0.56 -5.02 117.38 119.08 1ai6 n GLN 401 Ca 0.07 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1ai6 n GLN 401 Cb 0.25 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.84 1ai6 n GLN 401 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ai6 n GLY 402 N 1.32 1.58 0.00 1.08 0.00 -1.11 -2.19 105.19 105.87 1ai6 n GLY 402 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.44 1ai6 n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ai6 n ASP 403 N 1.26 0.00 0.11 1.61 5.68 -1.26 -2.17 116.55 121.78 1ai6 n ASP 403 Ca 0.00 -1.80 0.12 0.00 -0.50 0.00 0.00 54.79 52.61 1ai6 n ASP 403 Cb 0.00 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.19 1ai6 n ASP 403 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1ai6 h LYS 404 N 0.00 0.00 -6.60 0.11 1.63 -1.82 -3.45 116.57 106.45 1ai6 h LYS 404 Ca 0.00 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.29 1ai6 h LYS 404 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1ai6 h LYS 404 CO 0.00 0.00 0.23 0.45 -3.45 0.00 0.00 179.45 176.68 1ai6 s SER 405 N -4.84 7.44 0.05 4.20 0.15 -0.92 -4.96 113.70 114.82 1ai6 s SER 405 Ca 0.06 1.72 0.24 0.00 0.70 0.00 0.00 55.95 58.68 1ai6 s SER 405 Cb 0.11 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.87 1ai6 s SER 405 CO 0.69 0.18 1.76 -0.81 1.20 0.00 0.00 173.24 176.25 1ai6 n PRO 406 N 1.48 0.05 -3.23 5.44 -0.04 -1.26 -4.71 135.00 132.73 1ai6 n PRO 406 Ca -0.04 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1ai6 n PRO 406 Cb 0.48 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1ai6 n PRO 406 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ai6 s ILE 407 N -3.04 4.99 0.03 0.52 -1.09 -1.26 -5.01 121.20 116.34 1ai6 s ILE 407 Ca 0.11 0.15 -0.35 0.00 -2.23 0.00 0.00 60.65 58.33 1ai6 s ILE 407 Cb 0.15 -4.03 -0.13 0.00 -1.58 0.00 0.00 42.46 36.86 1ai6 s ILE 407 CO 0.45 -0.34 1.69 -2.65 -1.23 0.00 0.00 174.94 172.86 1ai6 n PRO 408 N 5.83 2.04 -2.53 2.79 -0.02 -1.26 -4.86 135.00 136.99 1ai6 n PRO 408 Ca -0.05 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1ai6 n PRO 408 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ai6 n PRO 408 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ai6 n GLN 409 N 4.75 3.28 -0.27 -0.52 1.13 -1.26 -4.83 117.38 119.66 1ai6 n GLN 409 Ca 0.20 -3.41 0.07 0.00 -1.94 0.00 0.00 57.00 51.92 1ai6 n GLN 409 Cb 0.28 -3.21 0.21 0.00 0.11 0.00 0.00 30.24 27.63 1ai6 n GLN 409 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ai6 h ALA 410 N 6.86 1.10 -3.79 -1.58 0.00 -2.05 -3.36 119.26 116.44 1ai6 h ALA 410 Ca 0.41 0.15 -0.68 0.00 0.00 0.00 0.00 54.91 54.79 1ai6 h ALA 410 Cb 0.79 0.17 -0.20 0.00 0.00 0.00 0.00 17.79 18.55 1ai6 h ALA 410 CO 1.48 -0.30 -0.73 0.14 0.00 0.00 0.00 179.25 179.84 1ai6 s VAL 411 N -6.00 3.39 -0.30 0.00 -7.23 -1.26 -5.08 120.40 103.93 1ai6 s VAL 411 Ca -0.12 -0.72 -0.25 0.00 -1.81 0.00 0.00 61.98 59.07 1ai6 s VAL 411 Cb 0.22 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1ai6 s VAL 411 CO 0.76 0.50 0.88 -0.62 -0.31 0.00 0.00 175.10 176.32 1ai6 s ASP 412 N -1.04 6.78 0.39 4.85 2.15 -1.26 -4.91 116.67 123.63 1ai6 s ASP 412 Ca 0.14 0.85 0.21 0.00 0.43 0.00 0.00 52.55 54.18 1ai6 s ASP 412 Cb -0.11 -2.45 0.55 0.00 -0.30 0.00 0.00 42.92 40.61 1ai6 s ASP 412 CO 0.03 -0.67 1.67 -0.07 -0.17 0.00 0.00 175.17 175.96 1ai6 h LEU 413 N 9.58 0.00 -0.17 -1.34 3.38 -1.92 -2.55 115.31 122.28 1ai6 h LEU 413 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ai6 h LEU 413 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ai6 h LEU 413 CO 0.93 0.29 -0.10 0.49 0.09 0.00 0.00 178.44 180.14 1ai6 n PHE 414 N -3.29 0.00 -3.81 1.13 3.72 -1.26 -4.41 117.46 109.54 1ai6 n PHE 414 Ca 0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 1ai6 n PHE 414 Cb 0.55 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 1ai6 n PHE 414 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ai6 n ALA 415 N -1.06 -1.92 0.00 4.37 0.00 -0.96 -1.99 120.51 118.95 1ai6 n ALA 415 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ai6 n ALA 415 Cb 0.27 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1ai6 n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ai6 n GLY 416 N -1.70 2.96 3.80 0.00 0.00 -1.26 -5.01 105.19 103.97 1ai6 n GLY 416 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1ai6 n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ai6 s LYS 417 N -0.21 4.39 0.35 1.61 1.02 -0.84 -5.01 119.74 121.06 1ai6 s LYS 417 Ca 0.00 1.05 -0.28 0.00 0.02 0.00 0.00 55.97 56.76 1ai6 s LYS 417 Cb 0.00 -2.89 -0.12 0.00 -0.52 0.00 0.00 37.83 34.31 1ai6 s LYS 417 CO 0.00 0.37 1.40 -0.35 -0.92 0.00 0.00 175.35 175.85 1ai6 n PRO 418 N 0.75 2.40 -0.29 -1.68 -0.04 -1.26 -4.82 135.00 130.06 1ai6 n PRO 418 Ca -0.01 0.84 0.01 0.00 -0.04 0.00 0.00 63.50 64.30 1ai6 n PRO 418 Cb 0.50 -2.50 0.08 0.00 -0.04 0.00 0.00 33.50 31.54 1ai6 n PRO 418 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ai6 h GLN 419 N 2.90 -0.03 -0.66 0.54 4.20 -1.94 -1.88 115.11 118.23 1ai6 h GLN 419 Ca -0.48 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.27 1ai6 h GLN 419 Cb 1.26 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 1ai6 h GLN 419 CO 0.64 -0.02 0.44 -0.56 -0.67 0.00 0.00 178.83 178.66 1ai6 h GLN 420 N -0.03 0.74 -0.61 1.46 3.07 -1.95 -0.28 115.11 117.51 1ai6 h GLN 420 Ca 0.36 -0.04 -0.06 0.00 0.09 0.00 0.00 58.65 58.99 1ai6 h GLN 420 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 27.48 27.96 1ai6 h GLN 420 CO -0.84 0.49 0.13 1.49 0.09 0.00 0.00 178.83 180.19 1ai6 h GLU 421 N 0.77 0.98 -0.15 0.06 4.81 -1.71 -0.78 114.58 118.55 1ai6 h GLU 421 Ca 0.27 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1ai6 h GLU 421 Cb 0.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ai6 h GLU 421 CO -0.08 0.88 -0.40 0.28 -0.73 0.00 0.00 179.01 178.96 1ai6 h VAL 422 N 0.93 1.35 -0.85 0.32 2.07 -1.11 -1.93 116.25 117.04 1ai6 h VAL 422 Ca 0.19 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.10 1ai6 h VAL 422 Cb 0.36 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1ai6 h VAL 422 CO 0.00 0.51 0.52 0.58 0.02 0.00 0.00 177.57 179.20 1ai6 h VAL 423 N 0.17 1.03 -0.07 2.57 2.07 -1.02 -1.74 116.25 119.26 1ai6 h VAL 423 Ca -0.01 -0.33 -0.22 0.00 0.82 0.00 0.00 66.70 66.96 1ai6 h VAL 423 Cb 1.02 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1ai6 h VAL 423 CO 0.09 0.17 -0.85 -0.07 0.02 0.00 0.00 177.57 176.93 1ai6 h LEU 424 N 0.95 0.73 -0.72 2.57 3.38 -1.14 -1.87 115.31 119.20 1ai6 h LEU 424 Ca 0.37 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1ai6 h LEU 424 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ai6 h LEU 424 CO -0.18 1.31 0.29 0.00 0.09 0.00 0.00 178.44 179.95 1ai6 h ALA 425 N 0.67 0.94 -0.37 1.53 0.00 -0.84 -1.57 119.26 119.61 1ai6 h ALA 425 Ca -0.07 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1ai6 h ALA 425 Cb 1.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1ai6 h ALA 425 CO 0.16 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.87 1ai6 h ALA 426 N 1.14 1.15 0.00 0.00 0.00 -1.28 -1.47 119.26 118.80 1ai6 h ALA 426 Ca 0.24 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ai6 h ALA 426 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ai6 h ALA 426 CO -0.02 0.54 -0.36 -0.07 0.00 0.00 0.00 179.25 179.34 1ai6 h LEU 427 N 0.58 0.00 -0.20 0.00 3.38 -0.92 -0.19 115.31 117.96 1ai6 h LEU 427 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1ai6 h LEU 427 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ai6 h LEU 427 CO 0.03 0.36 -0.39 -0.08 0.09 0.00 0.00 178.44 178.45 1ai6 h GLU 428 N 0.00 0.61 -0.87 1.13 4.81 -0.67 -2.14 114.58 117.45 1ai6 h GLU 428 Ca -0.00 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1ai6 h GLU 428 Cb 0.70 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1ai6 h GLU 428 CO 0.05 1.01 0.53 -0.44 -0.73 0.00 0.00 179.01 179.43 1ai6 h ASP 429 N 0.29 1.04 -0.36 1.04 3.32 -0.90 -1.64 116.42 119.21 1ai6 h ASP 429 Ca 0.01 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1ai6 h ASP 429 Cb 0.99 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1ai6 h ASP 429 CO 0.09 0.80 0.03 0.74 -1.72 0.00 0.00 179.24 179.18 1ai6 h THR 430 N 1.20 1.25 -0.72 0.35 2.02 -1.01 -2.25 112.91 113.75 1ai6 h THR 430 Ca 0.31 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1ai6 h THR 430 Cb -0.06 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1ai6 h THR 430 CO -0.06 0.30 0.26 -0.25 0.37 0.00 0.00 175.52 176.14 1ai6 h TRP 431 N 0.45 1.12 0.15 3.16 2.91 -1.09 -1.34 115.95 121.31 1ai6 h TRP 431 Ca 0.11 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1ai6 h TRP 431 Cb 0.41 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1ai6 h TRP 431 CO 0.03 0.88 -0.10 1.49 -1.03 0.00 0.00 178.44 179.71 1ai6 h GLU 432 N 1.04 -0.24 0.05 2.65 4.22 -1.21 -1.98 114.58 119.12 1ai6 h GLU 432 Ca 0.24 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.69 1ai6 h GLU 432 Cb 0.26 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ai6 h GLU 432 CO -0.01 -0.16 -0.03 1.15 -2.18 0.00 0.00 179.01 177.78 1ai6 h THR 433 N -0.25 1.03 -0.10 0.32 2.02 -1.30 -2.79 112.91 111.83 1ai6 h THR 433 Ca -0.01 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1ai6 h THR 433 Cb 0.21 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1ai6 h THR 433 CO 0.01 0.06 -0.24 -0.07 0.37 0.00 0.00 175.52 175.65 1ai6 h LEU 434 N -0.18 0.39 -1.61 2.58 3.38 -1.25 -3.16 115.31 115.46 1ai6 h LEU 434 Ca -0.01 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1ai6 h LEU 434 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ai6 h LEU 434 CO 0.01 0.90 0.26 0.77 0.09 0.00 0.00 178.44 180.47 1ai6 h SER 435 N -0.11 0.45 -0.81 -0.43 4.64 -1.46 -0.54 113.55 115.29 1ai6 h SER 435 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ai6 h SER 435 Cb 0.85 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 1ai6 h SER 435 CO 0.05 0.33 0.51 0.50 -0.87 0.00 0.00 176.83 177.35 1ai6 h LYS 436 N 0.53 1.08 0.05 4.77 3.64 -1.46 0.61 116.57 125.80 1ai6 h LYS 436 Ca 0.14 -0.08 -0.30 0.00 -1.27 0.00 0.00 60.65 59.14 1ai6 h LYS 436 Cb -0.06 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1ai6 h LYS 436 CO -0.03 0.74 -1.62 -0.09 -2.27 0.00 0.00 179.45 176.18 1ai6 h ARG 437 N 1.10 0.10 0.00 1.90 2.43 -1.40 -3.39 114.38 115.13 1ai6 h ARG 437 Ca 0.29 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ai6 h ARG 437 Cb -0.08 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ai6 h ARG 437 CO -0.06 0.82 -0.90 0.66 -1.51 0.00 0.00 179.97 178.99 1ai6 n TYR 438 N -3.25 0.00 -0.24 2.20 4.01 -0.27 -5.12 117.16 114.49 1ai6 n TYR 438 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1ai6 n TYR 438 Cb 1.03 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 1ai6 n TYR 438 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ai6 n GLY 439 N 1.46 -3.11 0.00 2.72 0.00 0.21 -4.70 105.19 101.78 1ai6 n GLY 439 Ca 0.01 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1ai6 n GLY 439 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ai6 n ASN 440 N -0.02 0.63 -4.40 1.61 3.02 -1.26 -4.21 115.26 110.63 1ai6 n ASN 440 Ca 0.00 -0.45 -0.44 0.00 -0.03 0.00 0.00 54.58 53.66 1ai6 n ASN 440 Cb 0.00 0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1ai6 n ASN 440 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ai6 s ASN 441 N -3.01 6.24 0.46 6.41 2.47 -1.26 -4.89 114.94 121.36 1ai6 s ASN 441 Ca 0.10 -1.44 0.14 0.00 0.42 0.00 0.00 52.86 52.08 1ai6 s ASN 441 Cb 0.17 -2.33 1.09 0.00 -1.45 0.00 0.00 41.25 38.73 1ai6 s ASN 441 CO 0.75 -1.16 2.06 0.58 -3.72 0.00 0.00 177.10 175.60 1ai6 h VAL 442 N 5.88 0.97 0.00 -5.21 2.07 -1.95 -1.48 116.25 116.55 1ai6 h VAL 442 Ca -0.24 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ai6 h VAL 442 Cb 1.08 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1ai6 h VAL 442 CO 1.11 0.05 0.00 0.28 0.02 0.00 0.00 177.57 179.03 1ai6 h SER 443 N 0.28 0.00 -0.27 0.57 0.02 -1.99 -2.34 113.55 109.82 1ai6 h SER 443 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ai6 h SER 443 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1ai6 h SER 443 CO -0.03 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.20 1ai6 n ASN 444 N -2.34 3.35 -4.66 3.07 2.04 -0.56 -4.98 115.26 111.18 1ai6 n ASN 444 Ca 0.01 -2.58 -0.42 0.00 -0.44 0.00 0.00 54.58 51.15 1ai6 n ASN 444 Cb 0.18 -0.39 -0.03 0.00 -2.53 0.00 0.00 39.78 37.01 1ai6 n ASN 444 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1ai6 s TRP 445 N -2.03 2.08 -0.48 -2.53 0.52 -0.88 -4.97 118.94 110.64 1ai6 s TRP 445 Ca 0.32 0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.71 1ai6 s TRP 445 Cb 0.24 -3.88 0.13 0.00 -1.15 0.00 0.00 33.47 28.81 1ai6 s TRP 445 CO 0.11 -3.64 0.26 0.15 0.02 0.00 0.00 176.95 173.85 1ai6 s LYS 446 N 3.93 2.09 0.24 4.98 1.02 -1.26 -4.73 119.74 126.01 1ai6 s LYS 446 Ca 0.72 -2.19 -0.08 0.00 0.02 0.00 0.00 55.97 54.44 1ai6 s LYS 446 Cb -0.32 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.40 1ai6 s LYS 446 CO 0.28 -1.09 0.53 0.95 -0.92 0.00 0.00 175.35 175.10 1ai6 s THR 447 N 0.49 4.99 0.13 2.17 -4.23 -1.26 -4.92 115.64 113.01 1ai6 s THR 447 Ca 0.13 0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1ai6 s THR 447 Cb -0.22 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 1ai6 s THR 447 CO -0.04 -0.14 1.20 -2.16 -0.54 0.00 0.00 174.62 172.94 1ai6 s PRO 448 N -3.03 4.47 0.59 3.99 0.04 -1.26 -0.28 135.00 139.51 1ai6 s PRO 448 Ca 0.45 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1ai6 s PRO 448 Cb -0.11 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1ai6 s PRO 448 CO 0.24 -0.16 0.96 0.00 0.04 0.00 0.00 177.00 178.08 1ai6 s ALA 449 N 0.47 3.18 0.24 8.56 0.00 -0.39 -4.65 121.76 129.18 1ai6 s ALA 449 Ca 0.56 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1ai6 s ALA 449 Cb -0.31 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1ai6 s ALA 449 CO 0.33 -0.63 0.72 -1.64 0.00 0.00 0.00 175.76 174.53 1ai6 s MET 450 N -5.06 4.19 0.53 0.00 -1.94 -1.26 -4.93 119.30 110.83 1ai6 s MET 450 Ca 0.53 0.81 0.04 0.00 -1.71 0.00 0.00 55.69 55.36 1ai6 s MET 450 Cb -0.11 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.96 1ai6 s MET 450 CO 0.51 0.35 0.27 0.00 -0.01 0.00 0.00 175.02 176.14 1ai6 s ALA 451 N -1.61 4.34 -0.09 3.03 0.00 -1.26 -2.26 121.76 123.90 1ai6 s ALA 451 Ca 0.45 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1ai6 s ALA 451 Cb -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1ai6 s ALA 451 CO 0.20 -0.30 -0.10 -1.17 0.00 0.00 0.00 175.76 174.39 1ai6 s LEU 452 N -4.15 1.39 -0.19 0.00 2.96 -0.35 -3.81 118.68 114.54 1ai6 s LEU 452 Ca 0.24 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1ai6 s LEU 452 Cb -0.01 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 1ai6 s LEU 452 CO 0.15 -0.05 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.22 1ai6 s THR 453 N 1.26 3.88 -0.61 3.68 2.01 -1.11 0.76 115.64 125.50 1ai6 s THR 453 Ca -0.03 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1ai6 s THR 453 Cb -0.14 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.68 1ai6 s THR 453 CO -0.03 0.44 0.99 -0.36 -0.69 0.00 0.00 174.62 174.97 1ai6 s PHE 454 N 0.91 2.69 0.32 4.92 0.40 0.43 -4.53 117.98 123.11 1ai6 s PHE 454 Ca 0.01 -0.22 -0.23 0.00 -0.60 0.00 0.00 56.93 55.89 1ai6 s PHE 454 Cb -0.14 -4.23 -0.10 0.00 0.51 0.00 0.00 43.02 39.06 1ai6 s PHE 454 CO 0.02 -1.55 0.88 1.03 0.70 0.00 0.00 175.22 176.29 1ai6 s ARG 455 N 4.21 4.41 0.33 0.44 0.52 -0.74 -1.35 118.95 126.76 1ai6 s ARG 455 Ca 0.28 1.14 0.17 0.00 -0.52 0.00 0.00 55.73 56.80 1ai6 s ARG 455 Cb -0.14 -2.69 0.32 0.00 0.52 0.00 0.00 34.95 32.96 1ai6 s ARG 455 CO 0.15 0.25 1.56 0.00 0.02 0.00 0.00 175.30 177.28 1ai6 h ALA 456 N 2.97 0.79 -2.69 2.13 0.00 -1.89 0.32 119.26 120.89 1ai6 h ALA 456 Ca -0.47 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.47 1ai6 h ALA 456 Cb 1.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ai6 h ALA 456 CO 0.64 0.53 -0.06 -0.80 0.00 0.00 0.00 179.25 179.57 1ai6 s ASN 457 N -6.41 7.02 1.18 0.00 0.01 -1.26 -0.96 114.94 114.53 1ai6 s ASN 457 Ca 0.03 1.22 -0.20 0.00 -0.71 0.00 0.00 52.86 53.20 1ai6 s ASN 457 Cb 0.08 -2.34 0.29 0.00 0.41 0.00 0.00 41.25 39.69 1ai6 s ASN 457 CO 0.72 0.27 1.18 0.54 -1.51 0.00 0.00 177.10 178.30 1ai6 s ASN 458 N -1.14 1.15 0.58 -1.22 6.03 0.21 -4.82 114.94 115.73 1ai6 s ASN 458 Ca 0.29 0.39 0.30 0.00 -1.03 0.00 0.00 52.86 52.81 1ai6 s ASN 458 Cb -0.19 -0.46 1.79 0.00 -3.03 0.00 0.00 41.25 39.36 1ai6 s ASN 458 CO 0.18 -3.96 2.22 2.19 -2.03 0.00 0.00 177.10 175.71 1ai6 h PHE 459 N -2.48 0.00 0.00 1.54 -5.15 -1.94 0.29 116.94 109.20 1ai6 h PHE 459 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 1ai6 h PHE 459 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 1ai6 h PHE 459 CO -2.42 0.03 0.00 1.19 -2.00 0.00 0.00 178.31 175.11 1ai6 n PHE 460 N -3.73 0.89 -0.21 6.09 3.01 -1.26 -4.91 117.46 117.34 1ai6 n PHE 460 Ca -0.03 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1ai6 n PHE 460 Cb 0.12 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.59 1ai6 n PHE 460 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ai6 n GLY 461 N 0.58 0.89 3.76 1.37 0.00 0.10 -5.07 105.19 106.82 1ai6 n GLY 461 Ca 0.04 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1ai6 n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ai6 s VAL 462 N -2.00 5.21 0.26 1.61 1.01 -1.25 -4.84 120.40 120.41 1ai6 s VAL 462 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 1ai6 s VAL 462 Cb 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 1ai6 s VAL 462 CO 0.00 0.52 1.56 -2.65 0.00 0.00 0.00 175.10 174.53 1ai6 n PRO 463 N 2.88 2.49 -0.11 2.72 -0.02 -1.26 0.66 135.00 142.36 1ai6 n PRO 463 Ca -0.18 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 1ai6 n PRO 463 Cb 0.53 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1ai6 n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ai6 n GLN 464 N 2.40 0.98 -3.73 -0.52 10.64 -0.13 -4.77 117.38 122.24 1ai6 n GLN 464 Ca 0.11 -1.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.11 1ai6 n GLN 464 Cb 0.34 -0.77 -0.00 0.00 -0.86 0.00 0.00 30.24 28.95 1ai6 n GLN 464 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ai6 s ALA 465 N -0.68 -2.06 0.51 2.61 0.00 -1.06 -4.55 121.76 116.54 1ai6 s ALA 465 Ca 0.05 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 1ai6 s ALA 465 Cb 0.04 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1ai6 s ALA 465 CO 0.00 -1.07 0.85 0.00 0.00 0.00 0.00 175.76 175.55 1ai6 s ALA 466 N -2.54 3.32 0.46 0.00 0.00 -1.26 -4.80 121.76 116.95 1ai6 s ALA 466 Ca 0.17 -0.38 0.23 0.00 0.00 0.00 0.00 51.96 51.98 1ai6 s ALA 466 Cb 0.02 -2.72 1.37 0.00 0.00 0.00 0.00 23.12 21.79 1ai6 s ALA 466 CO -0.01 -0.42 2.09 0.00 0.00 0.00 0.00 175.76 177.42 1ai6 h ALA 467 N 0.14 1.49 0.00 0.00 0.00 -2.01 0.49 119.26 119.37 1ai6 h ALA 467 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ai6 h ALA 467 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ai6 h ALA 467 CO 0.62 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.40 1ai6 n GLU 468 N -3.94 0.08 0.00 0.00 4.71 -1.26 -2.50 120.64 117.73 1ai6 n GLU 468 Ca -0.02 0.24 0.14 0.00 -0.01 0.00 0.00 57.16 57.50 1ai6 n GLU 468 Cb 0.20 -1.63 0.62 0.00 -1.01 0.00 0.00 31.44 29.63 1ai6 n GLU 468 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ai6 n GLU 469 N -1.78 0.08 -1.64 3.49 1.02 0.16 -4.86 120.64 117.11 1ai6 n GLU 469 Ca 0.04 0.02 -0.45 0.00 -0.02 0.00 0.00 57.16 56.75 1ai6 n GLU 469 Cb 0.25 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1ai6 n GLU 469 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ai6 n THR 470 N -1.46 1.27 -4.45 2.62 -1.04 -1.04 -4.85 114.28 105.33 1ai6 n THR 470 Ca 0.08 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1ai6 n THR 470 Cb 0.31 -1.29 -0.13 0.00 -1.82 0.00 0.00 70.33 67.40 1ai6 n THR 470 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ai6 s ARG 471 N -0.82 1.43 -0.08 -2.82 1.81 -0.46 -4.97 118.95 113.05 1ai6 s ARG 471 Ca 0.66 -1.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.40 1ai6 s ARG 471 Cb -0.68 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 1ai6 s ARG 471 CO 0.54 0.45 -0.18 -1.01 -0.68 0.00 0.00 175.30 174.41 1ai6 s HIS 472 N -1.03 1.97 -0.05 -0.53 3.76 -1.26 -0.43 115.29 117.72 1ai6 s HIS 472 Ca 0.13 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.35 1ai6 s HIS 472 Cb -0.10 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.22 1ai6 s HIS 472 CO 0.05 -0.32 -0.21 -1.14 -0.85 0.00 0.00 174.74 172.27 1ai6 s GLN 473 N 0.41 2.14 0.16 1.40 0.74 0.23 -5.00 119.66 119.74 1ai6 s GLN 473 Ca -0.14 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.39 1ai6 s GLN 473 Cb -0.16 -1.85 0.02 0.00 1.10 0.00 0.00 33.01 32.12 1ai6 s GLN 473 CO 0.06 0.32 1.59 0.00 -0.55 0.00 0.00 175.29 176.71 1ai6 h ALA 474 N 6.11 0.70 -2.59 1.58 0.00 -1.92 -0.91 119.26 122.24 1ai6 h ALA 474 Ca -0.33 -0.32 -0.68 0.00 0.00 0.00 0.00 54.91 53.58 1ai6 h ALA 474 Cb 1.17 -0.19 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 1ai6 h ALA 474 CO 0.47 0.57 -0.37 -2.00 0.00 0.00 0.00 179.25 177.93 1ai6 s GLU 475 N -4.90 3.37 0.26 0.00 2.12 -1.26 -4.21 118.70 114.07 1ai6 s GLU 475 Ca -0.12 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 1ai6 s GLU 475 Cb 0.12 -3.86 -0.10 0.00 0.26 0.00 0.00 34.13 30.55 1ai6 s GLU 475 CO 0.84 -0.59 1.41 -0.47 -0.54 0.00 0.00 175.26 175.92 1ai6 s TYR 476 N 1.87 3.04 -0.10 5.30 5.04 -0.96 -4.58 117.35 126.96 1ai6 s TYR 476 Ca 0.09 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1ai6 s TYR 476 Cb -0.17 -3.79 0.02 0.00 0.35 0.00 0.00 41.96 38.37 1ai6 s TYR 476 CO 0.11 -2.51 -0.08 -0.65 -1.34 0.00 0.00 175.55 171.08 1ai6 s GLN 477 N -0.53 1.54 -1.29 4.97 -0.21 -1.26 -4.92 119.66 117.95 1ai6 s GLN 477 Ca 0.58 -0.28 -0.18 0.00 0.02 0.00 0.00 55.36 55.50 1ai6 s GLN 477 Cb -0.41 -1.53 0.08 0.00 1.00 0.00 0.00 33.01 32.15 1ai6 s GLN 477 CO 0.44 -0.20 1.72 -1.71 -2.12 0.00 0.00 175.29 173.42 1ai6 n ASN 478 N 4.69 4.95 -3.98 5.90 4.05 -0.17 -4.88 115.26 125.82 1ai6 n ASN 478 Ca -0.15 -2.92 -0.10 0.00 0.45 0.00 0.00 54.58 51.86 1ai6 n ASN 478 Cb 0.50 -1.73 -0.07 0.00 1.23 0.00 0.00 39.78 39.71 1ai6 n ASN 478 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ai6 s ARG 479 N 3.99 1.27 0.57 1.20 1.70 -1.26 -3.80 118.95 122.62 1ai6 s ARG 479 Ca 0.53 -1.22 -0.20 0.00 -0.47 0.00 0.00 55.73 54.36 1ai6 s ARG 479 Cb 0.04 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1ai6 s ARG 479 CO 0.07 -0.48 1.26 0.41 -1.08 0.00 0.00 175.30 175.48 1ai6 n GLY 480 N -0.27 0.49 0.37 3.88 0.00 -1.25 -4.80 105.19 103.60 1ai6 n GLY 480 Ca -0.05 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1ai6 n GLY 480 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ai6 h THR 481 N 1.07 0.98 -3.40 2.61 2.02 -1.30 -3.40 112.91 111.48 1ai6 h THR 481 Ca -0.50 -0.34 -0.43 0.00 0.77 0.00 0.00 66.41 65.91 1ai6 h THR 481 Cb 1.32 -0.11 -0.17 0.00 -1.74 0.00 0.00 68.15 67.45 1ai6 h THR 481 CO 0.55 0.18 -0.75 -1.83 0.37 0.00 0.00 175.52 174.04 1ai6 s GLU 482 N -5.92 1.12 -0.07 6.66 4.04 -1.26 -4.75 118.70 118.52 1ai6 s GLU 482 Ca -0.12 -1.34 0.04 0.00 0.04 0.00 0.00 54.97 53.59 1ai6 s GLU 482 Cb 0.21 -0.98 0.00 0.00 0.02 0.00 0.00 34.13 33.38 1ai6 s GLU 482 CO 0.80 0.18 -0.19 -0.80 -1.84 0.00 0.00 175.26 173.42 1ai6 s ASN 483 N -2.70 2.42 0.01 0.83 0.01 -1.26 -3.88 114.94 110.37 1ai6 s ASN 483 Ca 0.13 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 1ai6 s ASN 483 Cb -0.04 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 1ai6 s ASN 483 CO 0.04 0.13 -0.07 1.51 -1.51 0.00 0.00 177.10 177.20 1ai6 s ASP 484 N 0.29 0.80 -0.05 -1.22 -4.77 -1.07 -2.90 116.67 107.76 1ai6 s ASP 484 Ca -0.11 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.88 1ai6 s ASP 484 Cb -0.15 -0.05 0.02 0.00 -1.09 0.00 0.00 42.92 41.66 1ai6 s ASP 484 CO 0.05 -0.01 -0.03 -0.32 0.70 0.00 0.00 175.17 175.56 1ai6 s MET 485 N -0.61 0.71 -0.16 2.11 1.75 0.16 -1.94 119.30 121.32 1ai6 s MET 485 Ca -0.01 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.40 1ai6 s MET 485 Cb -0.05 -0.83 0.00 0.00 2.84 0.00 0.00 34.83 36.79 1ai6 s MET 485 CO 0.00 -0.15 -0.16 0.42 -0.65 0.00 0.00 175.02 174.48 1ai6 s ILE 486 N 1.21 2.59 -0.24 10.11 1.09 -0.66 0.05 121.20 135.34 1ai6 s ILE 486 Ca -0.07 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1ai6 s ILE 486 Cb -0.14 -2.09 0.04 0.00 -1.06 0.00 0.00 42.46 39.21 1ai6 s ILE 486 CO -0.02 0.52 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.55 1ai6 s VAL 487 N 0.86 2.51 -0.08 2.92 1.01 0.69 -1.23 120.40 127.08 1ai6 s VAL 487 Ca -0.05 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1ai6 s VAL 487 Cb -0.15 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1ai6 s VAL 487 CO -0.01 0.19 0.31 -0.36 0.00 0.00 0.00 175.10 175.22 1ai6 s PHE 488 N 1.25 3.61 -1.04 5.22 0.08 -0.36 -0.98 117.98 125.76 1ai6 s PHE 488 Ca -0.02 0.75 -0.16 0.00 0.12 0.00 0.00 56.93 57.62 1ai6 s PHE 488 Cb -0.17 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1ai6 s PHE 488 CO -0.06 0.53 0.73 0.43 -0.10 0.00 0.00 175.22 176.75 1ai6 n SER 489 N 2.43 -5.37 -4.71 1.36 7.64 -0.27 -0.99 113.62 113.72 1ai6 n SER 489 Ca -0.15 -0.94 -0.42 0.00 1.01 0.00 0.00 58.87 58.38 1ai6 n SER 489 Cb 0.53 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 60.69 1ai6 n SER 489 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ai6 s PRO 490 N -5.62 4.23 0.54 1.43 0.04 -1.26 -3.51 135.00 130.84 1ai6 s PRO 490 Ca 0.33 2.28 0.30 0.00 0.04 0.00 0.00 61.00 63.95 1ai6 s PRO 490 Cb -0.13 -3.35 1.50 0.00 0.04 0.00 0.00 34.50 32.55 1ai6 s PRO 490 CO 0.87 -0.63 2.07 1.79 0.04 0.00 0.00 177.00 181.14 1ai6 h THR 491 N 4.39 0.41 -0.28 1.26 1.35 -1.73 -3.23 112.91 115.08 1ai6 h THR 491 Ca -0.42 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1ai6 h THR 491 Cb 1.20 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1ai6 h THR 491 CO 0.91 0.10 0.00 0.35 -0.25 0.00 0.00 175.52 176.63 1ai6 n THR 492 N -3.46 1.00 -3.96 6.82 -2.24 -1.26 -4.91 114.28 106.27 1ai6 n THR 492 Ca -0.01 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1ai6 n THR 492 Cb 0.25 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ai6 n THR 492 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ai6 s SER 493 N -0.56 0.27 -0.00 3.42 0.15 -1.22 -5.03 113.70 110.73 1ai6 s SER 493 Ca 0.24 -1.16 0.16 0.00 0.70 0.00 0.00 55.95 55.89 1ai6 s SER 493 Cb 0.17 0.70 -0.18 0.00 -1.71 0.00 0.00 66.02 65.00 1ai6 s SER 493 CO 0.10 -1.38 0.68 -0.90 1.20 0.00 0.00 173.24 172.95 1ai6 n ASP 494 N -1.05 0.78 -4.74 5.45 5.68 -1.26 -4.85 116.55 116.55 1ai6 n ASP 494 Ca -0.03 -0.86 -0.41 0.00 -0.50 0.00 0.00 54.79 52.99 1ai6 n ASP 494 Cb 0.61 1.02 -0.04 0.00 -1.14 0.00 0.00 41.12 41.57 1ai6 n ASP 494 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ai6 s ARG 495 N -2.55 4.54 0.54 0.11 1.81 -1.26 -4.96 118.95 117.18 1ai6 s ARG 495 Ca 0.06 1.81 0.32 0.00 -1.72 0.00 0.00 55.73 56.20 1ai6 s ARG 495 Cb 0.12 -3.25 1.35 0.00 -0.45 0.00 0.00 34.95 32.72 1ai6 s ARG 495 CO 0.67 -0.00 1.98 -1.00 -0.68 0.00 0.00 175.30 176.27 1ai6 h PRO 496 N 5.05 0.00 -4.24 3.54 0.14 -1.93 -3.38 132.00 131.17 1ai6 h PRO 496 Ca -0.45 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 65.53 1ai6 h PRO 496 Cb 1.21 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 32.18 1ai6 h PRO 496 CO 0.73 0.05 -0.69 0.08 0.14 0.00 0.00 178.00 178.31 1ai6 s VAL 497 N -3.72 0.27 -0.09 1.56 1.01 -1.26 -1.11 120.40 117.05 1ai6 s VAL 497 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 1ai6 s VAL 497 Cb 0.10 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1ai6 s VAL 497 CO 0.56 -0.78 0.23 -0.76 0.00 0.00 0.00 175.10 174.34 1ai6 s LEU 498 N -2.37 0.75 0.02 3.92 1.43 -0.15 -4.98 118.68 117.30 1ai6 s LEU 498 Ca -0.01 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1ai6 s LEU 498 Cb 0.01 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 1ai6 s LEU 498 CO -0.06 -0.13 -0.04 0.00 0.23 0.00 0.00 176.35 176.36 1ai6 s ALA 499 N 0.78 0.23 0.08 4.21 0.00 -1.26 -0.22 121.76 125.58 1ai6 s ALA 499 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1ai6 s ALA 499 Cb -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1ai6 s ALA 499 CO -0.05 -0.11 -0.06 -1.58 0.00 0.00 0.00 175.76 173.96 1ai6 s TRP 500 N -1.33 0.76 0.28 0.00 0.51 0.11 -2.05 118.94 117.21 1ai6 s TRP 500 Ca -0.13 -0.89 -0.07 0.00 -2.12 0.00 0.00 56.10 52.89 1ai6 s TRP 500 Cb -0.09 -0.46 0.03 0.00 -0.81 0.00 0.00 33.47 32.13 1ai6 s TRP 500 CO -0.01 -0.20 0.48 -0.40 -0.51 0.00 0.00 176.95 176.32 1ai6 n ASP 501 N 0.21 -1.38 -3.65 2.95 5.75 -0.37 -0.67 116.55 119.39 1ai6 n ASP 501 Ca -0.14 -2.28 -0.04 0.00 -0.01 0.00 0.00 54.79 52.32 1ai6 n ASP 501 Cb 0.60 2.40 -0.06 0.00 -1.03 0.00 0.00 41.12 43.03 1ai6 n ASP 501 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ai6 s VAL 502 N -2.51 -0.88 -0.54 2.12 0.11 -1.14 -0.75 120.40 116.81 1ai6 s VAL 502 Ca 0.16 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 1ai6 s VAL 502 Cb -0.02 -0.88 0.15 0.00 -1.53 0.00 0.00 36.38 34.09 1ai6 s VAL 502 CO 0.12 0.02 0.34 -0.69 -3.33 0.00 0.00 175.10 171.56 1ai6 s VAL 503 N 2.80 1.95 0.14 2.04 1.01 -1.26 -4.03 120.40 123.03 1ai6 s VAL 503 Ca -0.04 -3.27 -0.09 0.00 0.00 0.00 0.00 61.98 58.58 1ai6 s VAL 503 Cb -0.12 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 1ai6 s VAL 503 CO -0.17 -0.96 0.44 0.00 0.00 0.00 0.00 175.10 174.41 1ai6 s ALA 504 N -0.40 3.69 0.30 5.51 0.00 -1.26 -2.08 121.76 127.52 1ai6 s ALA 504 Ca 0.22 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1ai6 s ALA 504 Cb -0.14 -2.29 0.46 0.00 0.00 0.00 0.00 23.12 21.15 1ai6 s ALA 504 CO -0.08 0.57 1.69 -1.35 0.00 0.00 0.00 175.76 176.59 1ai6 h PRO 505 N 3.20 0.16 -1.92 0.00 0.11 -1.85 -3.38 132.00 128.33 1ai6 h PRO 505 Ca -0.48 -0.08 0.25 0.00 0.11 0.00 0.00 66.00 65.80 1ai6 h PRO 505 Cb 1.18 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1ai6 h PRO 505 CO 0.69 0.59 0.65 0.20 -0.21 0.00 0.00 178.00 179.92 1ai6 s GLY 506 N -4.28 -0.32 0.26 -0.55 0.00 -0.88 -0.96 107.32 100.58 1ai6 s GLY 506 Ca -0.04 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.03 1ai6 s GLY 506 CO 0.77 0.06 1.82 -1.61 0.00 0.00 0.00 173.10 174.14 1ai6 h GLN 507 N 2.00 1.01 -6.02 2.90 5.75 -1.66 -3.42 115.11 115.67 1ai6 h GLN 507 Ca -0.27 -0.18 -0.62 0.00 -0.15 0.00 0.00 58.65 57.43 1ai6 h GLN 507 Cb 1.22 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.55 1ai6 h GLN 507 CO 0.27 0.83 -0.53 0.45 -2.65 0.00 0.00 178.83 177.20 1ai6 s SER 508 N -6.46 6.06 -0.10 -0.69 0.15 -0.94 -4.89 113.70 106.84 1ai6 s SER 508 Ca -0.11 0.16 0.14 0.00 0.70 0.00 0.00 55.95 56.84 1ai6 s SER 508 Cb 0.16 -1.79 0.22 0.00 -1.71 0.00 0.00 66.02 62.90 1ai6 s SER 508 CO 0.82 0.16 1.10 0.61 1.20 0.00 0.00 173.24 177.13 1ai6 n GLY 509 N 0.28 3.95 3.74 9.45 0.00 -1.26 -4.02 105.19 117.32 1ai6 n GLY 509 Ca -0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1ai6 n GLY 509 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ai6 s PHE 510 N -2.24 3.81 -0.14 1.61 5.36 -1.26 -4.97 117.98 120.14 1ai6 s PHE 510 Ca 0.24 1.70 -0.00 0.00 -0.96 0.00 0.00 56.93 57.91 1ai6 s PHE 510 Cb 0.21 -2.97 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1ai6 s PHE 510 CO 0.02 0.26 -0.09 0.42 -1.46 0.00 0.00 175.22 174.37 1ai6 s ILE 511 N -0.14 1.25 0.89 3.12 1.01 -1.26 -0.70 121.20 125.37 1ai6 s ILE 511 Ca 0.44 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 1ai6 s ILE 511 Cb -0.23 -1.27 0.13 0.00 0.01 0.00 0.00 42.46 41.10 1ai6 s ILE 511 CO 0.28 0.33 1.10 0.00 0.00 0.00 0.00 174.94 176.64 1ai6 s ALA 512 N 1.60 1.53 0.52 9.38 0.00 0.06 -4.88 121.76 129.96 1ai6 s ALA 512 Ca 0.04 0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.31 1ai6 s ALA 512 Cb -0.13 -3.27 1.27 0.00 0.00 0.00 0.00 23.12 20.99 1ai6 s ALA 512 CO -0.09 -2.42 2.13 -1.35 0.00 0.00 0.00 175.76 174.03 1ai6 h PRO 513 N -1.60 0.02 -0.00 0.00 0.11 -2.01 -1.28 132.00 127.24 1ai6 h PRO 513 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ai6 h PRO 513 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ai6 h PRO 513 CO 0.51 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1ai6 n ASP 514 N -4.52 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.61 1ai6 n ASP 514 Ca -0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1ai6 n ASP 514 Cb 0.16 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1ai6 n ASP 514 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ai6 n GLY 515 N 0.60 0.55 3.70 6.12 0.00 -0.48 -5.01 105.19 110.67 1ai6 n GLY 515 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ai6 n GLY 515 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ai6 s THR 516 N -2.05 4.44 0.03 2.61 2.01 -1.26 -4.82 115.64 116.60 1ai6 s THR 516 Ca 0.00 1.75 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 1ai6 s THR 516 Cb 0.00 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1ai6 s THR 516 CO 0.00 0.06 0.53 -0.69 -0.69 0.00 0.00 174.62 173.83 1ai6 s VAL 517 N 1.69 4.86 0.76 3.82 1.01 -1.26 -0.76 120.40 130.52 1ai6 s VAL 517 Ca 0.54 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 1ai6 s VAL 517 Cb -0.24 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1ai6 s VAL 517 CO 0.24 0.52 0.50 -0.67 0.00 0.00 0.00 175.10 175.69 1ai6 n ASP 518 N 2.05 -1.37 0.25 3.32 2.03 0.13 -4.88 116.55 118.07 1ai6 n ASP 518 Ca -0.10 0.55 0.11 0.00 0.52 0.00 0.00 54.79 55.86 1ai6 n ASP 518 Cb 0.51 -1.21 0.66 0.00 -0.72 0.00 0.00 41.12 40.36 1ai6 n ASP 518 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ai6 h LYS 519 N -0.57 0.00 -0.42 -0.67 3.64 -1.96 -2.43 116.57 114.16 1ai6 h LYS 519 Ca -0.45 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.73 1ai6 h LYS 519 Cb 1.34 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.04 1ai6 h LYS 519 CO 0.41 0.15 0.01 0.72 -2.27 0.00 0.00 179.45 178.47 1ai6 n HIS 520 N -3.73 1.31 0.13 1.91 8.25 -1.26 -4.63 115.22 117.19 1ai6 n HIS 520 Ca -0.02 -1.55 -0.01 0.00 -0.26 0.00 0.00 57.72 55.88 1ai6 n HIS 520 Cb 0.26 -0.53 0.11 0.00 1.12 0.00 0.00 29.99 30.96 1ai6 n HIS 520 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1ai6 h TYR 521 N 1.10 0.00 0.00 4.41 3.20 -1.57 -2.42 116.97 121.69 1ai6 h TYR 521 Ca 0.25 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1ai6 h TYR 521 Cb 1.78 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.93 1ai6 h TYR 521 CO 1.05 0.66 -0.30 -0.85 -1.64 0.00 0.00 178.16 177.07 1ai6 n GLU 522 N -3.56 0.00 -0.10 1.82 0.28 -1.26 -3.58 120.64 114.25 1ai6 n GLU 522 Ca -0.00 -0.93 0.07 0.00 -0.16 0.00 0.00 57.16 56.14 1ai6 n GLU 522 Cb 0.69 0.38 0.26 0.00 1.43 0.00 0.00 31.44 34.20 1ai6 n GLU 522 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ai6 n ASP 523 N 0.03 1.33 -0.03 -1.84 5.75 -1.20 -3.70 116.55 116.89 1ai6 n ASP 523 Ca -0.21 -1.83 0.02 0.00 -0.01 0.00 0.00 54.79 52.76 1ai6 n ASP 523 Cb 0.70 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 1ai6 n ASP 523 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ai6 n GLN 524 N 0.16 4.60 -0.29 0.11 6.02 -0.13 -4.83 117.38 123.02 1ai6 n GLN 524 Ca 0.12 -0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 56.92 1ai6 n GLN 524 Cb 0.24 -0.76 0.08 0.00 1.02 0.00 0.00 30.24 30.82 1ai6 n GLN 524 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1ai6 h LEU 525 N 0.16 1.09 -0.24 1.08 5.85 -1.54 -2.55 115.31 119.16 1ai6 h LEU 525 Ca 0.00 -0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.36 1ai6 h LEU 525 Cb 0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ai6 h LEU 525 CO 0.00 0.95 -0.90 0.11 -0.34 0.00 0.00 178.44 178.26 1ai6 h LYS 526 N 1.17 0.21 -0.94 1.25 1.79 -1.88 -2.94 116.57 115.23 1ai6 h LYS 526 Ca 0.27 -0.24 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1ai6 h LYS 526 Cb 0.18 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.85 1ai6 h LYS 526 CO -0.03 0.98 0.61 1.98 -1.08 0.00 0.00 179.45 181.91 1ai6 h MET 527 N 0.11 1.05 0.41 3.15 4.05 -1.86 -2.20 114.93 119.64 1ai6 h MET 527 Ca -0.05 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1ai6 h MET 527 Cb 1.54 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1ai6 h MET 527 CO 0.14 0.70 -0.20 -0.92 0.23 0.00 0.00 176.91 176.86 1ai6 h TYR 528 N 1.08 -0.51 -0.84 1.39 3.20 -1.28 0.74 116.97 120.75 1ai6 h TYR 528 Ca 0.40 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.36 1ai6 h TYR 528 Cb 0.18 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 1ai6 h TYR 528 CO -0.00 -0.21 0.48 1.49 -1.64 0.00 0.00 178.16 178.28 1ai6 h GLU 529 N -0.76 0.77 -0.78 1.82 4.81 -1.39 -2.45 114.58 116.59 1ai6 h GLU 529 Ca -0.06 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1ai6 h GLU 529 Cb 0.52 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1ai6 h GLU 529 CO 0.09 0.51 0.07 0.09 -0.73 0.00 0.00 179.01 179.04 1ai6 n ASN 530 N -4.74 3.89 -2.06 1.04 3.02 -0.85 -4.90 115.26 110.66 1ai6 n ASN 530 Ca 0.14 -2.65 -0.19 0.00 -0.03 0.00 0.00 54.58 51.85 1ai6 n ASN 530 Cb 0.30 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1ai6 n ASN 530 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ai6 n PHE 531 N 0.24 -0.75 -2.16 3.10 3.72 -0.92 -5.01 117.46 115.68 1ai6 n PHE 531 Ca 0.21 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.40 1ai6 n PHE 531 Cb 0.91 -3.64 0.12 0.00 -0.94 0.00 0.00 39.48 35.93 1ai6 n PHE 531 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ai6 n GLY 532 N -0.95 -0.30 3.49 1.37 0.00 0.24 -5.04 105.19 104.01 1ai6 n GLY 532 Ca -0.22 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1ai6 n GLY 532 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ai6 s ARG 533 N -4.87 1.01 0.20 1.61 1.70 -1.26 -4.69 118.95 112.66 1ai6 s ARG 533 Ca 0.55 -0.15 0.09 0.00 -0.47 0.00 0.00 55.73 55.76 1ai6 s ARG 533 Cb -0.02 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1ai6 s ARG 533 CO 0.38 -0.40 -0.07 -1.59 -1.08 0.00 0.00 175.30 172.54 1ai6 s LYS 534 N -2.53 2.11 0.35 3.89 -2.85 0.07 -4.92 119.74 115.87 1ai6 s LYS 534 Ca -0.02 -1.32 -0.26 0.00 -1.00 0.00 0.00 55.97 53.37 1ai6 s LYS 534 Cb -0.01 -2.15 -0.09 0.00 -2.06 0.00 0.00 37.83 33.52 1ai6 s LYS 534 CO -0.04 0.41 1.11 -1.12 0.10 0.00 0.00 175.35 175.81 1ai6 s SER 535 N -3.07 6.87 -0.18 0.03 0.01 -1.26 -1.23 113.70 114.88 1ai6 s SER 535 Ca 0.27 2.22 -0.08 0.00 1.31 0.00 0.00 55.95 59.68 1ai6 s SER 535 Cb -0.08 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1ai6 s SER 535 CO 0.16 -0.42 0.08 -0.76 0.41 0.00 0.00 173.24 172.71 1ai6 s LEU 536 N -2.15 3.92 0.03 2.44 1.43 -0.87 -4.84 118.68 118.64 1ai6 s LEU 536 Ca 0.53 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1ai6 s LEU 536 Cb -0.28 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1ai6 s LEU 536 CO 0.36 0.21 0.12 0.26 0.23 0.00 0.00 176.35 177.53 1ai6 s TRP 537 N 0.18 3.35 0.05 0.29 0.52 -1.26 -4.47 118.94 117.60 1ai6 s TRP 537 Ca 0.05 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.38 1ai6 s TRP 537 Cb -0.12 -1.73 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1ai6 s TRP 537 CO 0.00 0.57 0.00 -0.11 0.02 0.00 0.00 176.95 177.43 1ai6 n LEU 538 N 0.82 0.48 -4.60 2.99 7.94 -1.26 -4.80 117.00 118.58 1ai6 n LEU 538 Ca -0.10 0.07 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 1ai6 n LEU 538 Cb 0.52 -0.14 0.13 0.00 0.53 0.00 0.00 43.42 44.46 1ai6 n LEU 538 CO 0.43 -0.62 0.46 0.35 -1.11 0.00 0.00 177.39 176.90 1ai6 n THR 539 N -2.95 1.00 -0.08 1.96 -2.24 -1.26 -4.85 114.28 105.86 1ai6 n THR 539 Ca 0.00 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1ai6 n THR 539 Cb 0.00 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 1ai6 n THR 539 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ai6 h LYS 540 N -1.26 0.42 -0.10 -0.78 1.57 -1.99 -1.54 116.57 112.89 1ai6 h LYS 540 Ca -0.45 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1ai6 h LYS 540 Cb 1.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1ai6 h LYS 540 CO 0.41 0.51 -0.05 0.37 -0.57 0.00 0.00 179.45 180.12 1ai6 h GLN 541 N 0.25 -0.05 -0.42 3.15 4.15 -1.99 -0.62 115.11 119.58 1ai6 h GLN 541 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1ai6 h GLN 541 Cb 0.27 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1ai6 h GLN 541 CO 0.00 -0.03 0.20 -0.44 -1.93 0.00 0.00 178.83 176.63 1ai6 h ASP 542 N -0.05 0.52 -0.22 -0.69 3.32 -1.88 -0.76 116.42 116.66 1ai6 h ASP 542 Ca 0.06 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1ai6 h ASP 542 Cb 0.13 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ai6 h ASP 542 CO -0.13 0.46 -0.36 0.58 -1.72 0.00 0.00 179.24 178.07 1ai6 h VAL 543 N 0.59 1.32 -0.57 -1.35 2.07 -0.65 -2.59 116.25 115.08 1ai6 h VAL 543 Ca 0.15 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1ai6 h VAL 543 Cb 0.08 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1ai6 h VAL 543 CO -0.02 0.49 0.31 -0.33 0.02 0.00 0.00 177.57 178.05 1ai6 h GLU 544 N 0.34 0.78 0.00 1.57 4.39 -0.79 -1.43 114.58 119.45 1ai6 h GLU 544 Ca 0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1ai6 h GLU 544 Cb 0.95 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1ai6 h GLU 544 CO 0.08 0.60 -0.15 0.00 -1.16 0.00 0.00 179.01 178.38 1ai6 h ALA 545 N 1.14 1.44 -0.19 3.43 0.00 -1.11 -2.79 119.26 121.18 1ai6 h ALA 545 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ai6 h ALA 545 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ai6 h ALA 545 CO -0.03 0.19 0.00 0.72 0.00 0.00 0.00 179.25 180.13 1ai6 n HIS 546 N -3.90 0.53 -1.88 0.00 8.25 -0.98 -5.04 115.22 112.19 1ai6 n HIS 546 Ca -0.02 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 56.24 1ai6 n HIS 546 Cb 0.24 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 1ai6 n HIS 546 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ai6 s LYS 547 N -2.25 4.19 -0.01 -0.41 2.20 -0.57 -4.92 119.74 117.97 1ai6 s LYS 547 Ca 0.31 2.45 0.10 0.00 -0.36 0.00 0.00 55.97 58.47 1ai6 s LYS 547 Cb 0.24 -3.07 -0.12 0.00 -1.51 0.00 0.00 37.83 33.37 1ai6 s LYS 547 CO 0.08 -0.55 0.33 -0.85 -0.36 0.00 0.00 175.35 173.99 1ai6 n GLU 548 N 2.51 2.43 -3.58 4.03 0.28 -1.26 -5.05 120.64 120.00 1ai6 n GLU 548 Ca 0.09 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.16 57.00 1ai6 n GLU 548 Cb 0.38 -1.06 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 1ai6 n GLU 548 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1ai6 s SER 549 N -2.39 -0.24 -0.01 -1.84 1.04 -1.26 -5.18 113.70 103.82 1ai6 s SER 549 Ca 0.01 -0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1ai6 s SER 549 Cb 0.07 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ai6 s SER 549 CO 0.40 -0.53 0.08 -1.58 0.98 0.00 0.00 173.24 172.59 1ai6 s GLN 550 N -2.88 0.25 -0.10 4.02 0.74 -1.26 -5.15 119.66 115.28 1ai6 s GLN 550 Ca 0.08 -0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.29 1ai6 s GLN 550 Cb -0.00 0.10 0.05 0.00 1.10 0.00 0.00 33.01 34.26 1ai6 s GLN 550 CO -0.05 -0.05 0.22 -2.00 -0.55 0.00 0.00 175.29 172.86 1ai6 s GLU 551 N -0.63 0.16 -0.04 1.67 2.12 -1.26 -5.15 118.70 115.56 1ai6 s GLU 551 Ca -0.07 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.83 1ai6 s GLU 551 Cb -0.04 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 1ai6 s GLU 551 CO 0.00 -0.19 -0.17 0.08 -0.54 0.00 0.00 175.26 174.45 1ai6 s VAL 552 N 1.46 2.85 0.09 3.70 1.01 -1.26 -5.13 120.40 123.12 1ai6 s VAL 552 Ca -0.07 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1ai6 s VAL 552 Cb -0.11 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1ai6 s VAL 552 CO -0.08 0.59 -0.20 -0.76 0.00 0.00 0.00 175.10 174.65 1ai6 s LEU 553 N -0.69 2.27 -0.18 3.92 1.43 -1.26 -5.12 118.68 119.05 1ai6 s LEU 553 Ca 0.11 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1ai6 s LEU 553 Cb -0.11 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1ai6 s LEU 553 CO 0.00 0.07 -0.10 -1.00 0.23 0.00 0.00 176.35 175.54 1ai6 s HIS 554 N -1.10 2.25 -0.05 0.29 3.76 -1.26 -5.12 115.29 114.06 1ai6 s HIS 554 Ca 0.06 -1.43 -0.05 0.00 -0.15 0.00 0.00 55.06 53.49 1ai6 s HIS 554 Cb -0.10 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 32.03 1ai6 s HIS 554 CO 0.04 -0.71 0.14 0.08 -0.85 0.00 0.00 174.74 173.44 1ai6 s VAL 555 N 1.45 -0.00 -0.04 -0.90 1.01 -1.26 -5.15 120.40 115.51 1ai6 s VAL 555 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1ai6 s VAL 555 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1ai6 s VAL 555 CO -0.09 0.00 -0.25 -1.58 0.00 0.00 0.00 175.10 173.18 1ai6 s GLN 556 N 0.08 2.38 0.00 2.72 -0.44 -1.26 -5.36 119.66 117.77 1ai6 s GLN 556 Ca -0.00 -0.91 0.14 0.00 -2.50 0.00 0.00 55.36 52.09 1ai6 s GLN 556 Cb -0.01 -2.12 0.85 0.00 -1.64 0.00 0.00 33.01 30.09 1ai6 s GLN 556 CO 0.00 0.46 1.27 -2.13 0.50 0.00 0.00 175.29 175.39