#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx0 s GLN 32 N 0.00 3.30 -0.26 0.00 -0.21 -1.26 -5.00 119.66 116.24 3dx0 s GLN 32 Ca 0.00 1.97 -0.22 0.00 0.02 0.00 0.00 55.36 57.13 3dx0 s GLN 32 Cb 0.00 -2.22 -0.01 0.00 1.00 0.00 0.00 33.01 31.78 3dx0 s GLN 32 CO 0.00 -0.98 0.71 0.34 -2.12 0.00 0.00 175.29 173.24 3dx0 s ASP 33 N -1.26 6.67 0.00 5.90 -1.08 -1.26 -4.87 116.67 120.78 3dx0 s ASP 33 Ca 0.70 0.81 0.24 0.00 -0.52 0.00 0.00 52.55 53.79 3dx0 s ASP 33 Cb -0.34 -2.38 0.63 0.00 -1.46 0.00 0.00 42.92 39.37 3dx0 s ASP 33 CO 0.39 -0.45 1.50 1.33 0.52 0.00 0.00 175.17 178.47 3dx0 n VAL 34 N 5.25 0.13 -0.07 1.11 0.24 -1.26 -4.37 118.33 119.37 3dx0 n VAL 34 Ca 0.02 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.76 3dx0 n VAL 34 Cb 0.48 0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 3dx0 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3dx0 n VAL 35 N 0.78 0.76 1.00 3.34 0.31 -1.26 -4.85 118.33 118.41 3dx0 n VAL 35 Ca 0.17 -0.23 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 3dx0 n VAL 35 Cb 0.46 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.94 3dx0 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dx0 n GLN 36 N -3.32 0.15 -3.89 5.55 6.02 -1.26 -4.25 117.38 116.38 3dx0 n GLN 36 Ca -0.26 -0.12 -0.35 0.00 -0.01 0.00 0.00 57.00 56.27 3dx0 n GLN 36 Cb 0.72 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.35 3dx0 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dx0 s ASP 37 N -2.93 4.99 -0.13 1.08 1.01 -1.26 -4.91 116.67 114.51 3dx0 s ASP 37 Ca 0.10 -1.72 -0.29 0.00 0.71 0.00 0.00 52.55 51.35 3dx0 s ASP 37 Cb 0.16 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 3dx0 s ASP 37 CO 0.82 -0.38 1.63 -0.69 0.21 0.00 0.00 175.17 176.75 3dx0 s VAL 38 N 1.14 3.66 0.36 -1.27 1.01 -1.26 -4.72 120.40 119.33 3dx0 s VAL 38 Ca 0.02 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.50 3dx0 s VAL 38 Cb -0.21 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3dx0 s VAL 38 CO -0.04 -0.15 1.44 -2.65 0.00 0.00 0.00 175.10 173.70 3dx0 n PRO 39 N 7.34 2.52 -3.23 2.72 -0.02 -1.26 -4.96 135.00 138.11 3dx0 n PRO 39 Ca 0.18 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 62.12 3dx0 n PRO 39 Cb 0.44 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.27 3dx0 n PRO 39 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3dx0 s ASN 40 N -0.15 6.27 0.18 2.55 2.47 -1.26 -5.06 114.94 119.94 3dx0 s ASN 40 Ca 0.54 -0.36 0.07 0.00 0.42 0.00 0.00 52.86 53.53 3dx0 s ASN 40 Cb -0.50 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 36.98 3dx0 s ASN 40 CO 0.63 -0.61 -0.14 0.68 -3.72 0.00 0.00 177.10 173.94 3dx0 s VAL 41 N 2.43 1.56 0.14 -5.21 -7.23 -1.26 -5.05 120.40 105.79 3dx0 s VAL 41 Ca 0.17 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 3dx0 s VAL 41 Cb -0.16 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3dx0 s VAL 41 CO 0.15 -0.58 1.48 0.44 -0.31 0.00 0.00 175.10 176.28 3dx0 h ASP 42 N 2.80 1.00 -3.18 4.85 3.32 -1.80 -3.42 116.42 119.99 3dx0 h ASP 42 Ca -0.38 -0.46 -0.54 0.00 0.02 0.00 0.00 57.03 55.67 3dx0 h ASP 42 Cb 1.21 -0.28 -0.37 0.00 0.22 0.00 0.00 39.33 40.11 3dx0 h ASP 42 CO 0.60 1.26 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.88 3dx0 s VAL 43 N -4.38 1.13 -0.22 -1.35 1.01 -0.52 -5.00 120.40 111.07 3dx0 s VAL 43 Ca -0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3dx0 s VAL 43 Cb 0.11 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3dx0 s VAL 43 CO 0.88 0.38 -0.11 -1.58 0.00 0.00 0.00 175.10 174.67 3dx0 s GLN 44 N 1.62 2.98 0.36 2.72 -0.44 -1.26 -1.54 119.66 124.10 3dx0 s GLN 44 Ca 0.04 -0.86 0.07 0.00 -2.50 0.00 0.00 55.36 52.11 3dx0 s GLN 44 Cb -0.13 -2.83 0.70 0.00 -1.64 0.00 0.00 33.01 29.12 3dx0 s GLN 44 CO -0.08 -0.29 1.89 0.52 0.50 0.00 0.00 175.29 177.83 3dx0 h MET 45 N 7.99 0.35 -0.53 1.67 2.86 -1.59 0.94 114.93 126.62 3dx0 h MET 45 Ca -0.39 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 3dx0 h MET 45 Cb 1.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3dx0 h MET 45 CO 0.60 0.45 0.12 1.25 1.06 0.00 0.00 176.91 180.39 3dx0 h LEU 46 N 0.33 0.81 -0.41 1.22 5.85 -1.93 0.05 115.31 121.23 3dx0 h LEU 46 Ca 0.07 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3dx0 h LEU 46 Cb 0.37 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3dx0 h LEU 46 CO 0.02 0.84 0.15 -0.08 -0.34 0.00 0.00 178.44 179.03 3dx0 h GLU 47 N 0.75 0.63 -0.64 1.25 4.22 -1.64 -1.64 114.58 117.51 3dx0 h GLU 47 Ca 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3dx0 h GLU 47 Cb 0.35 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3dx0 h GLU 47 CO 0.00 0.61 0.37 1.25 -2.18 0.00 0.00 179.01 179.06 3dx0 h LEU 48 N 0.52 0.78 -0.90 1.64 5.85 -0.74 -2.12 115.31 120.35 3dx0 h LEU 48 Ca 0.14 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3dx0 h LEU 48 Cb 0.23 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3dx0 h LEU 48 CO -0.01 0.63 0.57 1.88 -0.34 0.00 0.00 178.44 181.18 3dx0 h TYR 49 N 0.87 1.07 -0.52 1.25 -1.99 -0.71 -0.24 116.97 116.71 3dx0 h TYR 49 Ca 0.23 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 3dx0 h TYR 49 Cb 0.01 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.36 3dx0 h TYR 49 CO -0.01 0.58 0.15 0.22 -0.00 0.00 0.00 178.16 179.10 3dx0 h ASP 50 N 1.08 0.71 0.63 3.88 3.58 -0.66 -3.17 116.42 122.47 3dx0 h ASP 50 Ca 0.37 -0.11 -0.27 0.00 0.42 0.00 0.00 57.03 57.44 3dx0 h ASP 50 Cb 0.08 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3dx0 h ASP 50 CO -0.14 0.68 -1.43 0.03 -2.88 0.00 0.00 179.24 175.50 3dx0 h ARG 51 N 0.75 0.09 -7.05 0.28 3.08 -0.91 -3.48 114.38 107.15 3dx0 h ARG 51 Ca 0.17 -0.16 -0.50 0.00 0.07 0.00 0.00 59.98 59.56 3dx0 h ARG 51 Cb 0.24 0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.41 3dx0 h ARG 51 CO -0.01 0.89 0.44 -1.64 -1.07 0.00 0.00 179.97 178.58 3dx0 s MET 52 N -2.64 3.60 0.11 0.04 -1.94 -0.17 -4.98 119.30 113.33 3dx0 s MET 52 Ca -0.05 1.62 0.19 0.00 -1.71 0.00 0.00 55.69 55.75 3dx0 s MET 52 Cb 0.08 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.65 3dx0 s MET 52 CO 0.83 -0.65 0.90 0.43 -0.01 0.00 0.00 175.02 176.53 3dx0 n SER 53 N -0.90 0.85 -2.07 3.03 7.64 -1.26 -4.98 113.62 115.93 3dx0 n SER 53 Ca 0.09 0.36 -0.21 0.00 1.01 0.00 0.00 58.87 60.12 3dx0 n SER 53 Cb 0.50 0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 63.94 3dx0 n SER 53 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3dx0 n PHE 54 N -2.80 -0.60 -2.16 1.43 3.01 -1.26 -4.95 117.46 110.13 3dx0 n PHE 54 Ca -0.06 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.99 3dx0 n PHE 54 Cb 0.73 -3.74 -0.02 0.00 -0.01 0.00 0.00 39.48 36.43 3dx0 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3dx0 s LYS 55 N -4.51 4.39 -1.01 -1.08 -0.14 -1.26 -4.94 119.74 111.19 3dx0 s LYS 55 Ca 0.00 2.15 -0.04 0.00 -1.36 0.00 0.00 55.97 56.72 3dx0 s LYS 55 Cb 0.00 -3.10 0.27 0.00 -1.68 0.00 0.00 37.83 33.32 3dx0 s LYS 55 CO 0.00 -0.17 1.12 -3.47 -0.76 0.00 0.00 175.35 172.07 3dx0 n ASP 56 N 1.21 5.33 -4.91 2.83 2.03 -1.26 -4.99 116.55 116.79 3dx0 n ASP 56 Ca 0.01 -3.22 -0.30 0.00 0.52 0.00 0.00 54.79 51.80 3dx0 n ASP 56 Cb 0.42 -1.20 -0.04 0.00 -0.72 0.00 0.00 41.12 39.58 3dx0 n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3dx0 s ILE 57 N -1.92 5.27 -0.37 5.18 -4.36 -1.26 -5.02 121.20 118.72 3dx0 s ILE 57 Ca 0.31 -0.52 -0.28 0.00 -0.26 0.00 0.00 60.65 59.90 3dx0 s ILE 57 Cb -0.02 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3dx0 s ILE 57 CO -0.02 0.07 1.87 -0.62 0.24 0.00 0.00 174.94 176.48 3dx0 s ASP 58 N -2.70 5.70 0.00 4.36 -1.08 -1.26 -4.64 116.67 117.05 3dx0 s ASP 58 Ca 0.34 1.20 0.22 0.00 -0.52 0.00 0.00 52.55 53.79 3dx0 s ASP 58 Cb -0.12 -2.52 1.08 0.00 -1.46 0.00 0.00 42.92 39.89 3dx0 s ASP 58 CO 0.27 -1.88 1.72 0.61 0.52 0.00 0.00 175.17 176.42 3dx0 n GLY 59 N 5.51 -0.50 0.62 2.66 0.00 0.15 -5.02 105.19 108.61 3dx0 n GLY 59 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dx0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx0 n GLY 60 N 0.96 0.75 0.35 -0.02 0.00 -1.26 -3.86 105.19 102.10 3dx0 n GLY 60 Ca 0.16 -1.62 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 3dx0 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dx0 h VAL 61 N 0.00 1.21 -2.29 1.61 -1.51 -1.93 -3.05 116.25 110.28 3dx0 h VAL 61 Ca 0.00 -0.44 -0.65 0.00 -1.23 0.00 0.00 66.70 64.38 3dx0 h VAL 61 Cb 0.00 0.15 -0.15 0.00 -2.13 0.00 0.00 31.29 29.16 3dx0 h VAL 61 CO 0.00 0.21 0.84 0.86 -1.23 0.00 0.00 177.57 178.26 3dx0 s TRP 62 N -5.78 2.84 0.43 5.19 -0.00 -1.21 -4.50 118.94 115.91 3dx0 s TRP 62 Ca -0.11 -0.96 0.12 0.00 -0.00 0.00 0.00 56.10 55.15 3dx0 s TRP 62 Cb 0.17 -4.36 0.95 0.00 -0.00 0.00 0.00 33.47 30.22 3dx0 s TRP 62 CO 0.79 -1.64 2.00 0.87 -0.00 0.00 0.00 176.95 178.97 3dx0 h LYS 63 N 9.29 0.16 -0.44 5.86 1.79 -1.82 -1.34 116.57 130.07 3dx0 h LYS 63 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3dx0 h LYS 63 Cb 1.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 3dx0 h LYS 63 CO 1.19 0.25 0.00 1.04 -1.08 0.00 0.00 179.45 180.85 3dx0 n GLN 64 N -4.36 3.23 0.00 3.15 6.02 -1.26 -0.68 117.38 123.48 3dx0 n GLN 64 Ca -0.01 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 3dx0 n GLN 64 Cb 0.20 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3dx0 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dx0 n GLY 65 N 0.48 2.67 3.75 1.08 0.00 -0.50 -4.65 105.19 108.02 3dx0 n GLY 65 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3dx0 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dx0 s TRP 66 N 3.49 0.09 -0.56 1.61 -2.14 -1.26 -4.20 118.94 115.98 3dx0 s TRP 66 Ca 0.00 -0.55 -0.28 0.00 2.66 0.00 0.00 56.10 57.94 3dx0 s TRP 66 Cb 0.00 0.54 0.01 0.00 -3.10 0.00 0.00 33.47 30.92 3dx0 s TRP 66 CO 0.00 -1.22 1.44 -0.80 -2.66 0.00 0.00 176.95 173.71 3dx0 s ASN 67 N -2.99 6.09 0.21 -2.66 0.01 -1.25 -4.72 114.94 109.63 3dx0 s ASN 67 Ca 0.16 0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 3dx0 s ASN 67 Cb -0.04 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 3dx0 s ASN 67 CO 0.09 -1.74 1.22 -0.63 -1.51 0.00 0.00 177.10 174.53 3dx0 s ILE 68 N 6.18 3.41 0.10 0.60 1.01 -1.26 -5.03 121.20 126.21 3dx0 s ILE 68 Ca 0.53 1.23 0.09 0.00 0.00 0.00 0.00 60.65 62.49 3dx0 s ILE 68 Cb -0.11 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3dx0 s ILE 68 CO 0.25 0.22 -0.19 -0.54 0.00 0.00 0.00 174.94 174.67 3dx0 s LYS 69 N -0.52 1.79 0.08 2.79 1.02 -1.26 -4.96 119.74 118.68 3dx0 s LYS 69 Ca 0.52 -1.16 0.01 0.00 0.02 0.00 0.00 55.97 55.36 3dx0 s LYS 69 Cb -0.34 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 3dx0 s LYS 69 CO 0.39 0.49 -0.05 1.52 -0.92 0.00 0.00 175.35 176.78 3dx0 s TYR 70 N -1.08 0.73 -0.36 3.18 1.13 -1.26 -4.99 117.35 114.70 3dx0 s TYR 70 Ca 0.17 -0.97 -0.20 0.00 -1.41 0.00 0.00 57.07 54.66 3dx0 s TYR 70 Cb -0.10 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 3dx0 s TYR 70 CO 0.08 -0.24 0.62 0.34 -2.51 0.00 0.00 175.55 173.84 3dx0 s ASP 71 N -2.95 6.40 0.57 -0.18 -1.08 -1.26 -4.96 116.67 113.21 3dx0 s ASP 71 Ca 0.09 0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.48 3dx0 s ASP 71 Cb 0.06 -2.32 1.55 0.00 -1.46 0.00 0.00 42.92 40.76 3dx0 s ASP 71 CO -0.07 -0.59 2.05 -0.65 0.52 0.00 0.00 175.17 176.43 3dx0 h PRO 72 N 8.49 0.00 0.00 4.34 0.11 -2.00 -1.09 132.00 141.85 3dx0 h PRO 72 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3dx0 h PRO 72 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dx0 h PRO 72 CO 0.83 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 3dx0 n LEU 73 N -3.94 0.00 -0.19 2.35 4.77 -1.26 -3.73 117.00 115.00 3dx0 n LEU 73 Ca 0.04 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 3dx0 n LEU 73 Cb 0.43 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.60 3dx0 n LEU 73 CO 0.30 -0.00 1.02 0.50 -1.33 0.00 0.00 177.39 177.87 3dx0 h LYS 74 N 0.00 0.96 -5.76 3.23 3.64 -1.61 -3.41 116.57 113.62 3dx0 h LYS 74 Ca 0.00 -0.18 -0.67 0.00 -1.27 0.00 0.00 60.65 58.53 3dx0 h LYS 74 Cb 0.07 -0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 31.60 3dx0 h LYS 74 CO 0.00 0.81 -0.58 0.71 -2.27 0.00 0.00 179.45 178.12 3dx0 s TYR 75 N -5.36 3.27 0.24 1.91 2.02 -1.24 -4.93 117.35 113.27 3dx0 s TYR 75 Ca -0.11 0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 3dx0 s TYR 75 Cb 0.16 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3dx0 s TYR 75 CO 0.81 0.47 0.41 0.27 -1.57 0.00 0.00 175.55 175.94 3dx0 n ASN 76 N 2.36 -1.17 0.22 2.29 0.23 -0.41 -4.90 115.26 113.88 3dx0 n ASN 76 Ca -0.19 -2.15 0.13 0.00 -0.53 0.00 0.00 54.58 51.85 3dx0 n ASN 76 Cb 0.54 2.04 0.75 0.00 -2.08 0.00 0.00 39.78 41.03 3dx0 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dx0 h ALA 77 N 1.91 1.91 -0.01 -2.53 0.00 -1.95 -0.65 119.26 117.95 3dx0 h ALA 77 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dx0 h ALA 77 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dx0 h ALA 77 CO 0.26 -0.15 -0.41 0.72 0.00 0.00 0.00 179.25 179.67 3dx0 n HIS 78 N -4.20 0.00 -3.20 0.00 8.25 -1.26 -4.64 115.22 110.17 3dx0 n HIS 78 Ca -0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3dx0 n HIS 78 Cb 0.20 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 3dx0 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dx0 s HIS 79 N -2.54 -0.26 0.45 4.41 5.04 -0.26 -5.14 115.29 117.00 3dx0 s HIS 79 Ca 0.20 -1.22 -0.04 0.00 -1.54 0.00 0.00 55.06 52.46 3dx0 s HIS 79 Cb 0.18 -0.34 -0.03 0.00 0.04 0.00 0.00 32.58 32.43 3dx0 s HIS 79 CO 0.57 -1.02 0.73 0.15 -2.34 0.00 0.00 174.74 172.83 3dx0 s LYS 80 N 0.82 3.51 -0.25 2.88 1.02 -1.19 -1.29 119.74 125.24 3dx0 s LYS 80 Ca 0.26 0.07 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 3dx0 s LYS 80 Cb -0.04 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3dx0 s LYS 80 CO -0.09 -0.14 0.61 -1.17 -0.92 0.00 0.00 175.35 173.64 3dx0 s LEU 81 N -4.65 4.07 -0.27 3.17 2.96 -0.29 -4.87 118.68 118.80 3dx0 s LEU 81 Ca 0.46 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.91 3dx0 s LEU 81 Cb -0.10 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3dx0 s LEU 81 CO 0.43 -0.34 0.39 -0.54 -1.32 0.00 0.00 176.35 174.96 3dx0 s LYS 82 N 2.40 4.01 -0.17 1.98 -0.14 0.22 -1.14 119.74 126.89 3dx0 s LYS 82 Ca 0.26 0.06 -0.02 0.00 -1.36 0.00 0.00 55.97 54.91 3dx0 s LYS 82 Cb -0.16 -3.66 -0.01 0.00 -1.68 0.00 0.00 37.83 32.33 3dx0 s LYS 82 CO 0.09 -0.29 -0.10 0.08 -0.76 0.00 0.00 175.35 174.36 3dx0 s VAL 83 N 2.09 3.03 -0.29 3.17 1.01 0.20 -0.07 120.40 129.54 3dx0 s VAL 83 Ca 0.15 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3dx0 s VAL 83 Cb -0.16 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3dx0 s VAL 83 CO 0.10 0.48 0.07 -0.36 0.00 0.00 0.00 175.10 175.39 3dx0 s PHE 84 N 0.96 3.14 -0.29 5.22 0.08 -0.22 -1.47 117.98 125.40 3dx0 s PHE 84 Ca -0.02 -1.05 -0.17 0.00 0.12 0.00 0.00 56.93 55.81 3dx0 s PHE 84 Cb -0.15 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3dx0 s PHE 84 CO -0.01 -0.59 0.48 0.08 -0.10 0.00 0.00 175.22 175.08 3dx0 s VAL 85 N 1.48 5.08 -0.41 -0.44 1.01 0.21 -0.67 120.40 126.66 3dx0 s VAL 85 Ca 0.02 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3dx0 s VAL 85 Cb -0.17 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.48 3dx0 s VAL 85 CO 0.02 0.01 0.19 -0.69 0.00 0.00 0.00 175.10 174.62 3dx0 s VAL 86 N 2.28 3.08 0.31 2.92 1.01 0.13 -0.85 120.40 129.27 3dx0 s VAL 86 Ca 0.19 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 59.67 3dx0 s VAL 86 Cb -0.16 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3dx0 s VAL 86 CO 0.11 -0.69 1.39 -2.84 0.00 0.00 0.00 175.10 173.07 3dx0 s PRO 87 N 0.98 4.28 0.20 2.72 0.02 -1.26 -0.87 135.00 141.07 3dx0 s PRO 87 Ca 0.10 2.31 -0.15 0.00 0.02 0.00 0.00 61.00 63.28 3dx0 s PRO 87 Cb -0.22 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.25 3dx0 s PRO 87 CO -0.05 -0.34 0.47 -3.38 -0.33 0.00 0.00 177.00 173.37 3dx0 s HIS 88 N -0.68 0.06 -0.15 6.54 -3.43 -0.60 -1.83 115.29 115.18 3dx0 s HIS 88 Ca 0.54 -0.41 -0.04 0.00 -0.80 0.00 0.00 55.06 54.34 3dx0 s HIS 88 Cb -0.42 0.27 0.08 0.00 -1.43 0.00 0.00 32.58 31.08 3dx0 s HIS 88 CO 0.51 -0.89 0.25 0.45 -2.00 0.00 0.00 174.74 173.06 3dx0 s SER 89 N -2.91 0.64 -0.33 7.38 0.15 -1.26 -3.84 113.70 113.52 3dx0 s SER 89 Ca 0.13 0.34 -0.26 0.00 0.70 0.00 0.00 55.95 56.85 3dx0 s SER 89 Cb -0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 3dx0 s SER 89 CO -0.01 -0.27 0.94 -2.28 1.20 0.00 0.00 173.24 172.82 3dx0 s HIS 90 N 2.40 3.15 -0.31 3.44 2.46 -0.61 -4.77 115.29 121.04 3dx0 s HIS 90 Ca 0.04 0.96 0.04 0.00 0.47 0.00 0.00 55.06 56.56 3dx0 s HIS 90 Cb -0.13 -3.51 0.09 0.00 -0.13 0.00 0.00 32.58 28.90 3dx0 s HIS 90 CO -0.10 -0.71 -0.00 -0.80 -2.47 0.00 0.00 174.74 170.66 3dx0 s ASN 91 N 1.69 4.66 -0.08 9.88 0.01 -1.26 -0.15 114.94 129.69 3dx0 s ASN 91 Ca 0.39 -1.90 -0.30 0.00 -0.71 0.00 0.00 52.86 50.34 3dx0 s ASN 91 Cb -0.13 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 3dx0 s ASN 91 CO 0.15 -0.32 1.31 -1.81 -1.51 0.00 0.00 177.10 174.93 3dx0 s ASP 92 N 0.97 6.93 -0.87 -1.22 1.01 -1.26 -4.89 116.67 117.34 3dx0 s ASP 92 Ca 0.04 1.88 -0.10 0.00 0.71 0.00 0.00 52.55 55.08 3dx0 s ASP 92 Cb -0.19 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 3dx0 s ASP 92 CO -0.07 -0.71 2.05 -2.65 0.21 0.00 0.00 175.17 173.99 3dx0 n PRO 93 N 5.96 1.92 0.00 8.23 -0.02 -1.26 -4.60 135.00 145.23 3dx0 n PRO 93 Ca 0.13 -1.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.05 3dx0 n PRO 93 Cb 0.45 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3dx0 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx0 n GLY 94 N 3.98 2.17 0.00 -1.23 0.00 -1.26 -4.51 105.19 104.33 3dx0 n GLY 94 Ca 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3dx0 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3dx0 n TRP 95 N 2.19 0.00 0.03 1.61 -0.00 -1.26 -4.67 117.44 115.34 3dx0 n TRP 95 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.39 3dx0 n TRP 95 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.18 3dx0 n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3dx0 h ILE 96 N 0.00 1.23 -2.12 5.87 1.08 -1.94 -0.41 117.51 121.22 3dx0 h ILE 96 Ca 0.00 -2.96 -0.59 0.00 -0.39 0.00 0.00 64.86 60.91 3dx0 h ILE 96 Cb 0.00 2.67 -0.12 0.00 -3.07 0.00 0.00 36.82 36.30 3dx0 h ILE 96 CO 0.00 0.76 -0.69 -1.10 -0.69 0.00 0.00 178.15 176.43 3dx0 s GLN 97 N -2.64 1.95 0.98 2.37 -0.21 -1.26 -4.78 119.66 116.07 3dx0 s GLN 97 Ca -0.05 -1.68 -0.12 0.00 0.02 0.00 0.00 55.36 53.53 3dx0 s GLN 97 Cb 0.08 -1.91 0.18 0.00 1.00 0.00 0.00 33.01 32.36 3dx0 s GLN 97 CO 0.83 0.28 1.09 0.95 -2.12 0.00 0.00 175.29 176.32 3dx0 s THR 98 N -2.47 2.28 0.19 -0.19 -4.23 -1.26 -4.19 115.64 105.77 3dx0 s THR 98 Ca 0.32 0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3dx0 s THR 98 Cb -0.04 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.43 3dx0 s THR 98 CO 0.17 -0.12 1.61 0.15 -0.54 0.00 0.00 174.62 175.89 3dx0 h PHE 99 N -1.85 -0.64 -0.14 3.99 3.04 -1.89 -0.28 116.94 119.18 3dx0 h PHE 99 Ca -0.53 0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.34 3dx0 h PHE 99 Cb 1.31 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 40.17 3dx0 h PHE 99 CO 0.34 -0.33 -0.49 1.49 -2.02 0.00 0.00 178.31 177.31 3dx0 h GLU 100 N -0.12 0.37 -0.13 1.11 4.57 -1.97 -0.07 114.58 118.35 3dx0 h GLU 100 Ca 0.24 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3dx0 h GLU 100 Cb 0.50 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3dx0 h GLU 100 CO -0.61 0.78 0.03 0.93 -1.18 0.00 0.00 179.01 178.96 3dx0 h GLU 101 N 0.30 0.21 -0.90 1.92 5.08 -1.82 -0.64 114.58 118.73 3dx0 h GLU 101 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3dx0 h GLU 101 Cb 0.97 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3dx0 h GLU 101 CO 0.08 0.38 0.54 1.88 -1.00 0.00 0.00 179.01 180.89 3dx0 h TYR 102 N -0.00 1.18 -0.29 4.33 0.05 -0.96 -0.03 116.97 121.24 3dx0 h TYR 102 Ca 0.04 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.84 3dx0 h TYR 102 Cb 0.27 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3dx0 h TYR 102 CO 0.01 0.79 0.14 -0.92 -1.05 0.00 0.00 178.16 177.13 3dx0 h TYR 103 N 1.23 0.25 -0.40 4.88 3.20 -0.70 0.18 116.97 125.62 3dx0 h TYR 103 Ca 0.32 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.08 3dx0 h TYR 103 Cb -0.05 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3dx0 h TYR 103 CO 0.00 0.14 -0.27 1.96 -1.64 0.00 0.00 178.16 178.35 3dx0 h GLN 104 N 0.29 0.83 0.00 1.82 1.08 -0.84 -0.84 115.11 117.45 3dx0 h GLN 104 Ca 0.12 -0.36 -0.27 0.00 -1.45 0.00 0.00 58.65 56.69 3dx0 h GLN 104 Cb 0.05 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3dx0 h GLN 104 CO -0.09 1.00 -1.55 0.45 -0.95 0.00 0.00 178.83 177.69 3dx0 h HIS 105 N 0.71 0.01 0.00 2.96 3.86 -0.87 -3.45 115.15 118.37 3dx0 h HIS 105 Ca 0.09 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3dx0 h HIS 105 Cb 0.81 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 3dx0 h HIS 105 CO 0.05 1.01 0.00 -0.25 0.86 0.00 0.00 177.93 179.60 3dx0 n ASP 106 N -3.12 0.33 -0.10 2.45 8.00 0.41 -4.89 116.55 119.63 3dx0 n ASP 106 Ca -0.13 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.64 3dx0 n ASP 106 Cb 1.03 0.08 0.20 0.00 -0.02 0.00 0.00 41.12 42.40 3dx0 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3dx0 h THR 107 N 0.00 1.23 -0.05 -3.53 2.02 -0.98 -1.03 112.91 110.56 3dx0 h THR 107 Ca 0.00 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 3dx0 h THR 107 Cb 0.00 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3dx0 h THR 107 CO 0.00 0.32 -0.26 0.07 0.37 0.00 0.00 175.52 176.02 3dx0 h LYS 108 N 0.74 0.08 -0.00 6.66 2.10 -1.37 -1.00 116.57 123.77 3dx0 h LYS 108 Ca 0.16 -0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.57 3dx0 h LYS 108 Cb 0.35 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 31.69 3dx0 h LYS 108 CO 0.01 0.34 -0.81 0.45 -2.00 0.00 0.00 179.45 177.43 3dx0 h HIS 109 N 0.07 0.82 -0.19 0.07 3.86 -1.61 -1.21 115.15 116.96 3dx0 h HIS 109 Ca 0.01 -0.44 0.04 0.00 -1.16 0.00 0.00 60.37 58.82 3dx0 h HIS 109 Cb 0.50 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 3dx0 h HIS 109 CO 0.00 1.27 -0.08 0.82 0.86 0.00 0.00 177.93 180.80 3dx0 h ILE 110 N 0.14 0.73 -0.57 2.45 2.04 -0.98 0.58 117.51 121.90 3dx0 h ILE 110 Ca -0.10 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 3dx0 h ILE 110 Cb 1.49 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3dx0 h ILE 110 CO 0.16 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.20 3dx0 h LEU 111 N -0.06 1.01 -0.50 1.44 3.38 -1.21 0.16 115.31 119.54 3dx0 h LEU 111 Ca 0.10 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3dx0 h LEU 111 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3dx0 h LEU 111 CO -0.23 1.09 0.17 -1.28 0.09 0.00 0.00 178.44 178.28 3dx0 h SER 112 N 0.93 0.72 0.75 -0.43 0.87 -1.09 -0.95 113.55 114.35 3dx0 h SER 112 Ca 0.16 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 3dx0 h SER 112 Cb 0.59 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3dx0 h SER 112 CO 0.04 0.72 -0.67 0.78 -0.53 0.00 0.00 176.83 177.17 3dx0 h ASN 113 N 0.67 0.00 -0.21 6.23 2.35 -0.76 -2.11 115.58 121.75 3dx0 h ASN 113 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3dx0 h ASN 113 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3dx0 h ASN 113 CO -0.01 0.67 0.10 0.00 -1.65 0.00 0.00 177.43 176.54 3dx0 h ALA 114 N 1.33 0.27 -0.24 -0.83 0.00 -0.51 0.11 119.26 119.39 3dx0 h ALA 114 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dx0 h ALA 114 Cb 1.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3dx0 h ALA 114 CO 0.09 -0.16 -0.01 1.25 0.00 0.00 0.00 179.25 180.42 3dx0 h LEU 115 N 0.20 -0.12 -0.10 0.00 5.85 -1.04 0.33 115.31 120.43 3dx0 h LEU 115 Ca 0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3dx0 h LEU 115 Cb 0.14 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3dx0 h LEU 115 CO -0.01 -0.03 0.02 -0.09 -0.34 0.00 0.00 178.44 177.99 3dx0 h ARG 116 N 0.06 0.16 -0.34 1.25 2.43 -1.21 -0.63 114.38 116.10 3dx0 h ARG 116 Ca 0.12 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3dx0 h ARG 116 Cb 0.16 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3dx0 h ARG 116 CO -0.21 0.35 -0.04 1.25 -1.51 0.00 0.00 179.97 179.81 3dx0 h HIS 117 N -0.05 0.69 -0.31 2.20 2.76 -0.66 -1.09 115.15 118.68 3dx0 h HIS 117 Ca 0.03 -0.13 -0.14 0.00 -2.20 0.00 0.00 60.37 57.93 3dx0 h HIS 117 Cb 0.26 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3dx0 h HIS 117 CO 0.01 0.76 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.95 3dx0 h LEU 118 N 0.41 0.77 -0.62 0.26 3.38 -0.95 -0.79 115.31 117.78 3dx0 h LEU 118 Ca 0.09 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3dx0 h LEU 118 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3dx0 h LEU 118 CO 0.02 1.07 0.34 -0.74 0.09 0.00 0.00 178.44 179.22 3dx0 h HIS 119 N 0.60 0.62 0.00 1.13 2.76 -0.89 -3.00 115.15 116.38 3dx0 h HIS 119 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3dx0 h HIS 119 Cb 0.92 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.69 3dx0 h HIS 119 CO 0.05 0.30 -0.29 -0.25 -1.30 0.00 0.00 177.93 176.44 3dx0 n ASP 120 N -4.81 0.66 -3.68 3.26 8.00 -0.43 -4.51 116.55 115.04 3dx0 n ASP 120 Ca 0.07 0.32 -0.29 0.00 0.71 0.00 0.00 54.79 55.60 3dx0 n ASP 120 Cb 0.16 -0.29 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 3dx0 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dx0 s ASN 121 N -4.12 3.45 0.64 -2.24 -0.87 -0.32 -5.01 114.94 106.46 3dx0 s ASN 121 Ca 0.09 -2.81 0.35 0.00 -1.57 0.00 0.00 52.86 48.92 3dx0 s ASN 121 Cb 0.14 -0.99 1.95 0.00 -0.02 0.00 0.00 41.25 42.33 3dx0 s ASN 121 CO 0.65 -0.23 2.17 -0.65 -2.57 0.00 0.00 177.10 176.46 3dx0 h PRO 122 N 6.43 0.00 0.00 -0.60 0.11 -1.79 -1.97 132.00 134.19 3dx0 h PRO 122 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3dx0 h PRO 122 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dx0 h PRO 122 CO 0.48 0.00 -0.59 0.39 -0.21 0.00 0.00 178.00 178.08 3dx0 n GLU 123 N -3.31 0.02 -2.56 1.05 -0.58 -1.26 -4.90 120.64 109.10 3dx0 n GLU 123 Ca -0.01 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.37 3dx0 n GLU 123 Cb 0.23 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 3dx0 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3dx0 s MET 124 N -3.01 4.07 0.20 3.49 1.75 -0.74 -4.74 119.30 120.32 3dx0 s MET 124 Ca 0.10 1.45 0.05 0.00 -1.25 0.00 0.00 55.69 56.04 3dx0 s MET 124 Cb 0.17 -2.40 -0.05 0.00 2.84 0.00 0.00 34.83 35.39 3dx0 s MET 124 CO 0.73 -0.21 -0.06 0.15 -0.65 0.00 0.00 175.02 174.98 3dx0 s LYS 125 N -2.72 1.26 -0.25 4.11 -0.14 -1.26 -4.79 119.74 115.94 3dx0 s LYS 125 Ca 0.61 -1.60 -0.26 0.00 -1.36 0.00 0.00 55.97 53.36 3dx0 s LYS 125 Cb -0.20 -0.72 0.09 0.00 -1.68 0.00 0.00 37.83 35.32 3dx0 s LYS 125 CO 0.25 0.00 0.83 0.12 -0.76 0.00 0.00 175.35 175.79 3dx0 s PHE 126 N -3.30 -0.66 0.01 3.18 5.36 -0.12 -4.34 117.98 118.11 3dx0 s PHE 126 Ca 0.24 1.57 0.04 0.00 -0.96 0.00 0.00 56.93 57.81 3dx0 s PHE 126 Cb 0.04 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 43.00 3dx0 s PHE 126 CO 0.06 -0.35 -0.08 0.96 -1.46 0.00 0.00 175.22 174.35 3dx0 s ILE 127 N 0.16 3.53 -0.04 3.12 -4.36 -0.76 -0.91 121.20 121.93 3dx0 s ILE 127 Ca 0.00 -0.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.59 3dx0 s ILE 127 Cb -0.04 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.14 3dx0 s ILE 127 CO -0.01 0.39 -0.11 0.86 0.24 0.00 0.00 174.94 176.31 3dx0 s TRP 128 N -0.99 1.19 -0.19 1.37 -0.11 -0.13 -4.38 118.94 115.71 3dx0 s TRP 128 Ca 0.17 -0.36 -0.02 0.00 1.22 0.00 0.00 56.10 57.10 3dx0 s TRP 128 Cb -0.11 -0.87 -0.11 0.00 -1.50 0.00 0.00 33.47 30.88 3dx0 s TRP 128 CO 0.07 -0.18 -0.19 0.00 -4.62 0.00 0.00 176.95 172.04 3dx0 n ALA 129 N 3.54 1.65 -3.09 5.86 0.00 -1.26 -0.80 120.51 126.41 3dx0 n ALA 129 Ca -0.21 -0.77 -0.45 0.00 0.00 0.00 0.00 53.44 52.01 3dx0 n ALA 129 Cb 0.53 0.14 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 3dx0 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dx0 s GLU 130 N -2.36 3.05 0.38 0.00 8.01 -1.26 -3.92 118.70 122.60 3dx0 s GLU 130 Ca -0.25 -1.29 0.19 0.00 0.01 0.00 0.00 54.97 53.63 3dx0 s GLU 130 Cb 0.08 -4.26 0.70 0.00 -4.31 0.00 0.00 34.13 26.34 3dx0 s GLU 130 CO 0.39 -1.56 1.75 0.82 0.01 0.00 0.00 175.26 176.67 3dx0 h ILE 131 N 5.93 0.90 -0.64 -1.63 1.08 -1.16 -2.84 117.51 119.15 3dx0 h ILE 131 Ca -0.29 -1.48 0.13 0.00 -0.39 0.00 0.00 64.86 62.82 3dx0 h ILE 131 Cb 1.09 1.90 -0.10 0.00 -3.07 0.00 0.00 36.82 36.64 3dx0 h ILE 131 CO 1.11 0.36 0.11 0.77 -0.69 0.00 0.00 178.15 179.81 3dx0 h SER 132 N 0.00 -0.05 -0.26 1.72 4.64 -1.36 0.24 113.55 118.47 3dx0 h SER 132 Ca -0.00 0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 3dx0 h SER 132 Cb 0.87 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3dx0 h SER 132 CO 0.05 -0.03 -0.25 1.88 -0.87 0.00 0.00 176.83 177.62 3dx0 h TYR 133 N 0.23 0.75 -0.39 4.77 0.05 -1.77 -2.84 116.97 117.78 3dx0 h TYR 133 Ca 0.34 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3dx0 h TYR 133 Cb 0.54 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 3dx0 h TYR 133 CO -0.27 0.94 0.08 0.35 -1.05 0.00 0.00 178.16 178.20 3dx0 h PHE 134 N 0.35 0.67 -0.63 4.88 3.57 -1.05 -0.87 116.94 123.87 3dx0 h PHE 134 Ca 0.04 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3dx0 h PHE 134 Cb 0.80 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3dx0 h PHE 134 CO 0.07 0.66 0.40 0.00 -2.23 0.00 0.00 178.31 177.22 3dx0 h ALA 135 N 0.93 0.80 -0.59 2.41 0.00 -0.65 0.10 119.26 122.28 3dx0 h ALA 135 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dx0 h ALA 135 Cb 0.34 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3dx0 h ALA 135 CO 0.00 0.25 0.35 -0.09 0.00 0.00 0.00 179.25 179.76 3dx0 h ARG 136 N 0.85 0.66 0.01 0.00 9.65 -1.24 -1.70 114.38 122.60 3dx0 h ARG 136 Ca 0.23 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3dx0 h ARG 136 Cb -0.07 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 3dx0 h ARG 136 CO -0.05 0.43 -0.00 0.35 2.80 0.00 0.00 179.97 183.50 3dx0 h PHE 137 N 0.68 -0.01 -0.62 2.20 3.57 -0.74 -3.17 116.94 118.83 3dx0 h PHE 137 Ca 0.24 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3dx0 h PHE 137 Cb 0.06 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3dx0 h PHE 137 CO -0.07 0.35 0.26 -0.92 -2.23 0.00 0.00 178.31 175.70 3dx0 h TYR 138 N -0.38 0.94 -0.22 0.41 3.20 -0.72 -1.26 116.97 118.94 3dx0 h TYR 138 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3dx0 h TYR 138 Cb 0.37 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3dx0 h TYR 138 CO 0.05 0.74 0.14 1.25 -1.64 0.00 0.00 178.16 178.70 3dx0 h HIS 139 N 0.87 0.28 0.00 -3.82 2.76 -1.38 -2.17 115.15 111.70 3dx0 h HIS 139 Ca 0.21 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3dx0 h HIS 139 Cb 0.19 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3dx0 h HIS 139 CO 0.01 0.19 -0.12 -0.25 -1.30 0.00 0.00 177.93 176.46 3dx0 n ASP 140 N -4.49 0.27 -4.77 3.26 9.92 -0.51 -4.89 116.55 115.34 3dx0 n ASP 140 Ca 0.00 0.36 -0.40 0.00 -0.53 0.00 0.00 54.79 54.23 3dx0 n ASP 140 Cb 0.08 -0.38 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 3dx0 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3dx0 s LEU 141 N -3.33 4.39 0.85 0.64 1.43 -0.82 -5.04 118.68 116.80 3dx0 s LEU 141 Ca 0.12 2.39 -0.10 0.00 -1.03 0.00 0.00 54.13 55.51 3dx0 s LEU 141 Cb 0.17 -3.79 0.11 0.00 0.03 0.00 0.00 46.19 42.71 3dx0 s LEU 141 CO 0.58 -0.43 1.13 -0.83 0.23 0.00 0.00 176.35 177.03 3dx0 s GLY 142 N -0.90 1.72 0.27 -3.19 0.00 -1.26 -4.73 107.32 99.23 3dx0 s GLY 142 Ca 0.50 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 3dx0 s GLY 142 CO 0.43 0.87 1.86 -2.09 0.00 0.00 0.00 173.10 174.17 3dx0 h GLU 143 N -1.52 1.07 -0.82 2.90 4.57 -1.97 0.53 114.58 119.34 3dx0 h GLU 143 Ca -0.43 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 3dx0 h GLU 143 Cb 1.26 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 3dx0 h GLU 143 CO 0.46 0.70 0.43 -0.97 -1.18 0.00 0.00 179.01 178.45 3dx0 h ASN 144 N 1.10 1.04 0.28 1.04 -0.73 -2.00 -1.51 115.58 114.80 3dx0 h ASN 144 Ca 0.46 -0.11 -0.22 0.00 1.87 0.00 0.00 56.30 58.29 3dx0 h ASN 144 Cb 0.31 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.64 3dx0 h ASN 144 CO -0.21 0.86 -0.91 0.11 -0.37 0.00 0.00 177.43 176.90 3dx0 h LYS 145 N 1.15 0.45 -0.54 6.67 1.79 -1.73 -2.01 116.57 122.35 3dx0 h LYS 145 Ca 0.29 -0.46 0.10 0.00 -2.18 0.00 0.00 60.65 58.39 3dx0 h LYS 145 Cb 0.07 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 30.76 3dx0 h LYS 145 CO -0.04 1.11 0.09 0.87 -1.08 0.00 0.00 179.45 180.40 3dx0 h LYS 146 N 0.26 0.21 -0.81 3.15 1.57 -0.60 0.24 116.57 120.61 3dx0 h LYS 146 Ca -0.08 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3dx0 h LYS 146 Cb 1.54 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.77 3dx0 h LYS 146 CO 0.16 0.14 0.39 -0.07 -0.57 0.00 0.00 179.45 179.50 3dx0 h LEU 147 N 0.22 1.05 -0.77 2.94 3.38 -1.10 -0.36 115.31 120.67 3dx0 h LEU 147 Ca 0.27 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dx0 h LEU 147 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3dx0 h LEU 147 CO -0.37 0.89 0.33 1.56 0.09 0.00 0.00 178.44 180.94 3dx0 h GLN 148 N 1.14 1.14 -0.18 1.13 4.20 -0.76 -2.07 115.11 119.71 3dx0 h GLN 148 Ca 0.28 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3dx0 h GLN 148 Cb 0.12 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3dx0 h GLN 148 CO -0.03 0.91 0.04 1.98 -0.67 0.00 0.00 178.83 181.06 3dx0 h MET 149 N 1.11 0.30 -0.53 1.46 4.05 -0.63 -2.01 114.93 118.68 3dx0 h MET 149 Ca 0.26 -0.08 0.08 0.00 -0.28 0.00 0.00 59.70 59.68 3dx0 h MET 149 Cb 0.18 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3dx0 h MET 149 CO -0.03 0.45 0.36 0.87 0.23 0.00 0.00 176.91 178.80 3dx0 h LYS 150 N 0.10 0.40 -0.23 0.39 1.57 -0.94 -2.33 116.57 115.53 3dx0 h LYS 150 Ca 0.06 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 3dx0 h LYS 150 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3dx0 h LYS 150 CO 0.00 0.26 -0.62 1.03 -0.57 0.00 0.00 179.45 179.55 3dx0 h SER 151 N 0.41 0.94 1.30 0.86 0.87 -0.88 0.45 113.55 117.50 3dx0 h SER 151 Ca 0.24 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 3dx0 h SER 151 Cb 0.42 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3dx0 h SER 151 CO -0.06 1.35 -0.12 0.16 -0.53 0.00 0.00 176.83 177.63 3dx0 h ILE 152 N 0.58 0.25 0.02 2.23 3.07 -1.02 -1.15 117.51 121.50 3dx0 h ILE 152 Ca -0.01 -0.99 -0.05 0.00 1.55 0.00 0.00 64.86 65.35 3dx0 h ILE 152 Cb 1.24 1.81 0.01 0.00 -0.27 0.00 0.00 36.82 39.60 3dx0 h ILE 152 CO 0.13 0.12 -0.21 0.58 -1.05 0.00 0.00 178.15 177.72 3dx0 h VAL 153 N 0.00 1.64 -0.86 0.16 2.07 -1.33 -0.92 116.25 117.00 3dx0 h VAL 153 Ca -0.00 -2.16 0.07 0.00 0.82 0.00 0.00 66.70 65.43 3dx0 h VAL 153 Cb 0.80 3.06 -0.07 0.00 -1.52 0.00 0.00 31.29 33.57 3dx0 h VAL 153 CO 0.02 0.58 0.53 0.50 0.02 0.00 0.00 177.57 179.21 3dx0 h LYS 154 N -0.69 0.91 0.00 1.57 3.64 -0.77 -1.93 116.57 119.30 3dx0 h LYS 154 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3dx0 h LYS 154 Cb 1.07 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3dx0 h LYS 154 CO 0.04 0.60 0.00 0.27 -2.27 0.00 0.00 179.45 178.09 3dx0 n ASN 155 N -4.65 0.00 0.00 4.20 0.23 -0.45 -4.94 115.26 109.66 3dx0 n ASN 155 Ca 0.13 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.51 3dx0 n ASN 155 Cb 0.21 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3dx0 n ASN 155 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dx0 n GLY 156 N 0.87 0.65 0.12 4.83 0.00 -0.72 -4.95 105.19 105.98 3dx0 n GLY 156 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3dx0 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dx0 h GLN 157 N 1.92 0.34 -4.94 1.61 4.20 -1.44 -3.43 115.11 113.37 3dx0 h GLN 157 Ca 0.00 -0.57 -0.65 0.00 0.06 0.00 0.00 58.65 57.49 3dx0 h GLN 157 Cb 0.00 0.21 -0.21 0.00 0.30 0.00 0.00 27.48 27.78 3dx0 h GLN 157 CO 0.00 1.27 -0.59 -1.17 -0.67 0.00 0.00 178.83 177.67 3dx0 s LEU 158 N -7.86 3.62 -0.09 1.46 0.20 -0.68 -0.94 118.68 114.39 3dx0 s LEU 158 Ca -0.13 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.59 3dx0 s LEU 158 Cb 0.01 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3dx0 s LEU 158 CO 0.85 -0.04 -0.22 -0.70 -0.29 0.00 0.00 176.35 175.96 3dx0 s GLU 159 N 1.64 2.69 0.05 1.98 2.12 -0.09 -4.31 118.70 122.78 3dx0 s GLU 159 Ca 0.07 -0.78 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 3dx0 s GLU 159 Cb -0.15 -2.08 -0.05 0.00 0.26 0.00 0.00 34.13 32.11 3dx0 s GLU 159 CO 0.06 0.17 0.90 -0.06 -0.54 0.00 0.00 175.26 175.79 3dx0 s PHE 160 N 0.34 3.73 -0.09 5.30 0.08 -1.26 -0.96 117.98 125.12 3dx0 s PHE 160 Ca -0.16 1.65 0.02 0.00 0.12 0.00 0.00 56.93 58.56 3dx0 s PHE 160 Cb -0.17 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.26 3dx0 s PHE 160 CO 0.07 0.15 -0.15 0.14 -0.10 0.00 0.00 175.22 175.32 3dx0 s VAL 161 N 0.36 2.90 0.00 -0.44 -7.23 0.02 -4.67 120.40 111.33 3dx0 s VAL 161 Ca 0.46 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3dx0 s VAL 161 Cb -0.22 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3dx0 s VAL 161 CO 0.27 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.02 3dx0 n THR 162 N 2.98 0.00 -0.89 5.32 -1.04 0.04 -4.25 114.28 116.45 3dx0 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3dx0 n THR 162 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3dx0 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dx0 n GLY 163 N 0.00 0.47 3.83 3.41 0.00 -1.25 -4.66 105.19 107.00 3dx0 n GLY 163 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3dx0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dx0 s GLY 164 N -2.72 1.63 0.40 -0.02 0.00 -1.26 -1.81 107.32 103.54 3dx0 s GLY 164 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 44.72 44.55 3dx0 s GLY 164 CO 0.00 0.15 1.99 -0.25 0.00 0.00 0.00 173.10 174.99 3dx0 h TRP 165 N -0.93 0.60 -4.14 1.90 -0.00 -1.42 -1.44 115.95 110.52 3dx0 h TRP 165 Ca -0.46 0.02 -0.36 0.00 -0.00 0.00 0.00 58.89 58.08 3dx0 h TRP 165 Cb 1.26 -0.20 -0.09 0.00 -0.00 0.00 0.00 29.16 30.13 3dx0 h TRP 165 CO 0.48 0.32 -0.34 1.33 -0.00 0.00 0.00 178.44 180.23 3dx0 n VAL 166 N -4.48 0.00 -3.53 2.65 0.24 -1.26 -1.20 118.33 110.76 3dx0 n VAL 166 Ca 0.09 -1.77 -0.41 0.00 -2.04 0.00 0.00 64.34 60.20 3dx0 n VAL 166 Cb 0.24 0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 3dx0 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3dx0 s MET 167 N -3.02 2.76 0.63 7.34 -2.45 -1.26 -4.87 119.30 118.43 3dx0 s MET 167 Ca 0.26 -2.09 -0.15 0.00 -1.25 0.00 0.00 55.69 52.47 3dx0 s MET 167 Cb 0.01 -4.01 -0.02 0.00 1.25 0.00 0.00 34.83 32.06 3dx0 s MET 167 CO 0.19 -1.22 1.07 -1.25 1.05 0.00 0.00 175.02 174.86 3dx0 s PRO 168 N 0.80 3.11 0.53 4.11 0.04 -1.26 -2.98 135.00 139.34 3dx0 s PRO 168 Ca 0.11 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.16 3dx0 s PRO 168 Cb -0.22 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3dx0 s PRO 168 CO -0.03 -0.98 1.02 -3.47 0.04 0.00 0.00 177.00 173.58 3dx0 n ASP 169 N -2.30 1.17 -0.14 6.66 2.03 0.07 -4.62 116.55 119.42 3dx0 n ASP 169 Ca 0.09 0.91 0.05 0.00 0.52 0.00 0.00 54.79 56.37 3dx0 n ASP 169 Cb 0.53 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.50 3dx0 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dx0 n GLU 170 N -0.53 2.66 -0.10 -0.67 1.02 -1.26 -4.42 120.64 117.34 3dx0 n GLU 170 Ca 0.11 -0.36 -0.18 0.00 -0.02 0.00 0.00 57.16 56.71 3dx0 n GLU 170 Cb 0.44 -1.07 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 3dx0 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dx0 h ALA 171 N 1.75 0.20 0.00 0.62 0.00 -1.92 -3.42 119.26 116.49 3dx0 h ALA 171 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 54.91 53.87 3dx0 h ALA 171 Cb 0.32 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3dx0 h ALA 171 CO 0.00 0.65 -1.42 0.09 0.00 0.00 0.00 179.25 178.57 3dx0 n ASN 172 N -4.48 0.49 -4.77 0.00 3.02 -1.26 -4.53 115.26 103.74 3dx0 n ASN 172 Ca -0.26 0.19 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 3dx0 n ASN 172 Cb 0.58 1.10 -0.02 0.00 -0.61 0.00 0.00 39.78 40.82 3dx0 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dx0 s SER 173 N -5.01 6.74 0.27 6.41 1.04 -1.26 -4.77 113.70 117.12 3dx0 s SER 173 Ca -0.04 2.54 -0.26 0.00 0.48 0.00 0.00 55.95 58.67 3dx0 s SER 173 Cb 0.11 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 3dx0 s SER 173 CO 0.84 -0.54 0.90 -2.28 0.98 0.00 0.00 173.24 173.13 3dx0 s HIS 174 N -1.22 3.80 0.49 5.02 2.46 -1.26 -4.22 115.29 120.36 3dx0 s HIS 174 Ca 0.51 1.76 0.16 0.00 0.47 0.00 0.00 55.06 57.96 3dx0 s HIS 174 Cb -0.36 -2.88 1.19 0.00 -0.13 0.00 0.00 32.58 30.40 3dx0 s HIS 174 CO 0.47 0.34 2.07 0.11 -2.47 0.00 0.00 174.74 175.26 3dx0 h TRP 175 N 3.62 0.16 -0.60 3.88 5.08 -1.17 0.05 115.95 126.97 3dx0 h TRP 175 Ca -0.46 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 3dx0 h TRP 175 Cb 1.20 -0.05 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 3dx0 h TRP 175 CO 0.62 0.09 0.18 0.00 -1.28 0.00 0.00 178.44 178.05 3dx0 h ARG 176 N 0.16 0.92 0.00 0.12 3.08 -1.92 -1.02 114.38 115.71 3dx0 h ARG 176 Ca 0.14 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 3dx0 h ARG 176 Cb 0.34 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3dx0 h ARG 176 CO -0.02 0.80 -1.00 -0.91 -1.07 0.00 0.00 179.97 177.76 3dx0 h ASN 177 N 0.89 0.00 -0.51 7.04 2.35 -1.43 -0.68 115.58 123.24 3dx0 h ASN 177 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dx0 h ASN 177 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3dx0 h ASN 177 CO -0.01 0.86 0.32 0.58 -1.65 0.00 0.00 177.43 177.53 3dx0 h VAL 178 N 0.00 1.14 -0.55 2.81 2.07 -0.90 -1.06 116.25 119.78 3dx0 h VAL 178 Ca -0.05 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3dx0 h VAL 178 Cb 1.70 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3dx0 h VAL 178 CO 0.10 0.14 0.31 0.25 0.02 0.00 0.00 177.57 178.40 3dx0 h LEU 179 N 0.68 0.67 -0.31 2.57 5.85 -1.11 -1.74 115.31 121.93 3dx0 h LEU 179 Ca 0.18 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3dx0 h LEU 179 Cb -0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3dx0 h LEU 179 CO -0.04 0.55 0.13 0.25 -0.34 0.00 0.00 178.44 179.00 3dx0 h LEU 180 N 0.73 0.17 -0.47 2.25 5.85 -0.82 0.92 115.31 123.95 3dx0 h LEU 180 Ca 0.19 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 3dx0 h LEU 180 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dx0 h LEU 180 CO -0.03 0.14 -0.70 0.06 -0.34 0.00 0.00 178.44 177.56 3dx0 h GLN 181 N 0.28 0.33 -0.24 1.25 -0.00 -1.11 0.60 115.11 116.22 3dx0 h GLN 181 Ca 0.13 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.51 3dx0 h GLN 181 Cb 0.08 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.60 3dx0 h GLN 181 CO -0.11 0.91 0.14 1.25 -0.00 0.00 0.00 178.83 181.01 3dx0 h LEU 182 N 0.23 0.30 -0.85 0.06 5.85 -1.04 -0.71 115.31 119.16 3dx0 h LEU 182 Ca -0.02 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3dx0 h LEU 182 Cb 1.26 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3dx0 h LEU 182 CO 0.12 0.29 0.27 0.74 -0.34 0.00 0.00 178.44 179.51 3dx0 h THR 183 N 0.29 1.25 -0.37 1.05 2.02 -0.49 -0.31 112.91 116.35 3dx0 h THR 183 Ca 0.09 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3dx0 h THR 183 Cb 0.05 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3dx0 h THR 183 CO -0.01 0.33 0.23 -0.08 0.37 0.00 0.00 175.52 176.36 3dx0 h GLU 184 N 1.09 0.50 -0.19 6.66 4.57 -0.65 0.55 114.58 127.11 3dx0 h GLU 184 Ca 0.25 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3dx0 h GLU 184 Cb 0.24 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3dx0 h GLU 184 CO -0.02 0.37 -0.26 0.78 -1.18 0.00 0.00 179.01 178.70 3dx0 h GLY 185 N 0.49 0.55 1.94 1.92 0.00 -1.25 -2.91 103.07 103.81 3dx0 h GLY 185 Ca 0.13 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 3dx0 h GLY 185 CO -0.03 0.54 -0.54 1.46 0.00 0.00 0.00 176.54 177.98 3dx0 h GLN 186 N 0.16 0.06 -0.52 4.80 4.20 -0.25 -0.80 115.11 122.76 3dx0 h GLN 186 Ca 0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3dx0 h GLN 186 Cb 0.83 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3dx0 h GLN 186 CO 0.06 0.58 -0.11 1.15 -0.67 0.00 0.00 178.83 179.85 3dx0 h THR 187 N 0.05 1.27 0.04 -0.54 2.02 -0.93 0.12 112.91 114.94 3dx0 h THR 187 Ca -0.00 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 3dx0 h THR 187 Cb 0.97 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3dx0 h THR 187 CO 0.07 0.44 -0.02 -0.25 0.37 0.00 0.00 175.52 176.14 3dx0 h TRP 188 N 0.87 -0.05 -0.71 3.16 7.01 -1.32 -2.10 115.95 122.81 3dx0 h TRP 188 Ca 0.14 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.20 3dx0 h TRP 188 Cb 0.68 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.70 3dx0 h TRP 188 CO 0.05 -0.01 0.40 -0.07 -2.79 0.00 0.00 178.44 176.01 3dx0 h LEU 189 N -0.08 0.59 -0.46 0.65 3.38 -0.87 -0.67 115.31 117.86 3dx0 h LEU 189 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dx0 h LEU 189 Cb 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dx0 h LEU 189 CO 0.01 0.38 0.12 0.50 0.09 0.00 0.00 178.44 179.53 3dx0 h LYS 190 N 0.73 0.74 -0.37 1.13 3.64 -0.84 0.16 116.57 121.75 3dx0 h LYS 190 Ca 0.32 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3dx0 h LYS 190 Cb 0.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3dx0 h LYS 190 CO -0.19 0.73 0.04 0.37 -2.27 0.00 0.00 179.45 178.12 3dx0 h GLN 191 N 0.62 0.63 0.00 1.90 4.15 -1.07 -2.77 115.11 118.57 3dx0 h GLN 191 Ca 0.15 -0.18 -0.34 0.00 0.77 0.00 0.00 58.65 59.05 3dx0 h GLN 191 Cb 0.32 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3dx0 h GLN 191 CO 0.00 0.71 -2.26 1.19 -1.93 0.00 0.00 178.83 176.53 3dx0 n PHE 192 N -4.53 0.00 -0.02 3.99 3.72 -0.28 -4.56 117.46 115.78 3dx0 n PHE 192 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3dx0 n PHE 192 Cb 0.25 -0.90 -0.15 0.00 -0.94 0.00 0.00 39.48 37.74 3dx0 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3dx0 n MET 193 N -2.77 0.66 -3.31 -1.08 2.81 0.41 -5.00 117.12 108.84 3dx0 n MET 193 Ca -0.32 -0.15 -0.18 0.00 -1.81 0.00 0.00 57.70 55.25 3dx0 n MET 193 Cb 1.06 -1.45 0.06 0.00 -0.71 0.00 0.00 33.22 32.18 3dx0 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3dx0 n ASN 194 N -2.24 -4.93 -3.89 7.83 5.15 -0.34 -4.89 115.26 111.96 3dx0 n ASN 194 Ca -0.07 -0.42 -0.11 0.00 -0.60 0.00 0.00 54.58 53.38 3dx0 n ASN 194 Cb 0.58 -3.98 -0.11 0.00 -0.53 0.00 0.00 39.78 35.75 3dx0 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dx0 s VAL 195 N -3.25 0.07 -0.24 3.44 -7.23 -1.22 -4.98 120.40 106.99 3dx0 s VAL 195 Ca 0.39 -0.56 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 3dx0 s VAL 195 Cb -0.17 -0.32 0.07 0.00 0.56 0.00 0.00 36.38 36.51 3dx0 s VAL 195 CO 0.56 -0.31 0.00 -0.89 -0.31 0.00 0.00 175.10 174.15 3dx0 s THR 196 N -1.02 1.18 0.47 5.32 2.01 -1.26 -3.41 115.64 118.92 3dx0 s THR 196 Ca -0.11 -1.12 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 3dx0 s THR 196 Cb -0.06 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.76 3dx0 s THR 196 CO 0.01 -0.25 1.29 -2.65 -0.69 0.00 0.00 174.62 172.33 3dx0 n PRO 197 N 4.78 1.85 0.00 4.92 -0.02 -1.26 -4.92 135.00 140.36 3dx0 n PRO 197 Ca -0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3dx0 n PRO 197 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3dx0 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dx0 n THR 198 N -0.51 0.53 -5.18 3.45 -2.24 -1.26 -4.77 114.28 104.29 3dx0 n THR 198 Ca 0.08 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.80 3dx0 n THR 198 Cb 0.42 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.22 3dx0 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx0 s ALA 199 N -0.53 1.99 0.05 6.98 0.00 -1.26 -0.84 121.76 128.16 3dx0 s ALA 199 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3dx0 s ALA 199 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3dx0 s ALA 199 CO 0.00 0.46 -0.07 0.45 0.00 0.00 0.00 175.76 176.61 3dx0 s SER 200 N -0.45 4.62 -0.21 0.00 0.15 -0.34 -0.78 113.70 116.70 3dx0 s SER 200 Ca 0.06 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 3dx0 s SER 200 Cb -0.10 -1.02 0.06 0.00 -1.71 0.00 0.00 66.02 63.25 3dx0 s SER 200 CO 0.00 0.23 -0.00 0.86 1.20 0.00 0.00 173.24 175.53 3dx0 s TRP 201 N -1.12 1.62 -0.50 3.44 -0.11 -1.26 -0.35 118.94 120.66 3dx0 s TRP 201 Ca 0.20 -1.24 0.03 0.00 1.22 0.00 0.00 56.10 56.31 3dx0 s TRP 201 Cb -0.11 -1.26 0.16 0.00 -1.50 0.00 0.00 33.47 30.75 3dx0 s TRP 201 CO 0.11 -0.68 0.34 0.00 -4.62 0.00 0.00 176.95 172.10 3dx0 s ALA 202 N 1.66 2.28 -0.78 5.86 0.00 -0.67 -4.84 121.76 125.27 3dx0 s ALA 202 Ca -0.03 -2.84 0.24 0.00 0.00 0.00 0.00 51.96 49.33 3dx0 s ALA 202 Cb -0.18 -1.85 0.31 0.00 0.00 0.00 0.00 23.12 21.41 3dx0 s ALA 202 CO -0.07 -2.05 1.27 0.44 0.00 0.00 0.00 175.76 175.35 3dx0 n ILE 203 N 2.92 0.16 0.00 0.00 -5.35 -1.26 -3.15 119.36 112.68 3dx0 n ILE 203 Ca 0.19 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3dx0 n ILE 203 Cb 0.39 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3dx0 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3dx0 n ASP 204 N -1.82 2.57 -4.63 7.28 2.03 -1.26 -4.32 116.55 116.40 3dx0 n ASP 204 Ca 0.04 -0.14 -0.38 0.00 0.52 0.00 0.00 54.79 54.83 3dx0 n ASP 204 Cb 0.40 0.80 0.06 0.00 -0.72 0.00 0.00 41.12 41.66 3dx0 n ASP 204 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3dx0 n PRO 205 N -1.06 0.90 -2.87 -0.67 -0.02 -1.26 -4.84 135.00 125.18 3dx0 n PRO 205 Ca 0.00 0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 61.39 3dx0 n PRO 205 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3dx0 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dx0 n PHE 206 N -1.79 4.11 0.00 6.00 3.72 -1.26 -4.36 117.46 123.88 3dx0 n PHE 206 Ca 0.14 -3.21 0.00 0.00 -0.05 0.00 0.00 57.45 54.33 3dx0 n PHE 206 Cb 0.48 -1.90 0.00 0.00 -0.94 0.00 0.00 39.48 37.12 3dx0 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dx0 n GLY 207 N 3.07 2.02 3.05 1.37 0.00 -1.04 -4.55 105.19 109.10 3dx0 n GLY 207 Ca 0.34 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 3dx0 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dx0 s HIS 208 N -2.70 0.79 -0.01 1.61 3.76 -1.10 -4.63 115.29 113.01 3dx0 s HIS 208 Ca 0.00 -0.30 0.06 0.00 -0.15 0.00 0.00 55.06 54.67 3dx0 s HIS 208 Cb 0.00 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 3dx0 s HIS 208 CO 0.00 -0.02 -0.18 0.45 -0.85 0.00 0.00 174.74 174.14 3dx0 s SER 209 N -0.87 3.76 0.00 1.40 0.15 -1.26 -1.26 113.70 115.62 3dx0 s SER 209 Ca -0.02 -0.34 0.14 0.00 0.70 0.00 0.00 55.95 56.43 3dx0 s SER 209 Cb -0.06 -0.66 0.60 0.00 -1.71 0.00 0.00 66.02 64.18 3dx0 s SER 209 CO 0.00 0.31 1.43 -0.81 1.20 0.00 0.00 173.24 175.37 3dx0 n PRO 210 N 2.03 0.03 0.05 5.44 -0.04 -1.26 -2.02 135.00 139.22 3dx0 n PRO 210 Ca -0.17 0.25 0.15 0.00 -0.04 0.00 0.00 63.50 63.70 3dx0 n PRO 210 Cb 0.52 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.11 3dx0 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dx0 h THR 211 N 0.00 0.84 0.73 0.52 2.02 -1.94 -2.47 112.91 112.60 3dx0 h THR 211 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 3dx0 h THR 211 Cb 0.22 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3dx0 h THR 211 CO 0.00 0.02 -0.35 0.24 0.37 0.00 0.00 175.52 175.80 3dx0 h MET 212 N 0.10 -0.94 -0.56 6.66 2.86 -1.82 -1.72 114.93 119.52 3dx0 h MET 212 Ca 0.19 0.06 0.12 0.00 -2.06 0.00 0.00 59.70 58.02 3dx0 h MET 212 Cb 0.65 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 3dx0 h MET 212 CO -0.02 -0.61 0.38 -1.00 1.06 0.00 0.00 176.91 176.73 3dx0 h PRO 213 N -1.21 0.23 0.19 -0.22 0.13 -1.75 0.13 132.00 129.51 3dx0 h PRO 213 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3dx0 h PRO 213 Cb 0.76 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3dx0 h PRO 213 CO 0.16 0.15 -0.15 -0.92 -0.23 0.00 0.00 178.00 177.02 3dx0 h TYR 214 N 0.24 -0.40 -0.25 1.56 3.20 -1.30 0.88 116.97 120.91 3dx0 h TYR 214 Ca 0.26 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 3dx0 h TYR 214 Cb 0.72 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3dx0 h TYR 214 CO -0.00 -0.24 -0.21 0.82 -1.64 0.00 0.00 178.16 176.90 3dx0 h ILE 215 N -0.35 1.31 -0.51 1.81 2.04 -0.75 -3.09 117.51 117.97 3dx0 h ILE 215 Ca -0.01 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3dx0 h ILE 215 Cb 0.32 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3dx0 h ILE 215 CO -0.02 0.42 0.28 -0.07 0.00 0.00 0.00 178.15 178.76 3dx0 h LEU 216 N 0.29 0.65 -1.74 1.44 3.38 -0.66 -2.17 115.31 116.50 3dx0 h LEU 216 Ca 0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3dx0 h LEU 216 Cb 0.75 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3dx0 h LEU 216 CO 0.05 0.56 -0.17 -0.61 0.09 0.00 0.00 178.44 178.37 3dx0 h GLN 217 N 0.69 0.00 -0.40 1.13 -0.00 -0.88 0.56 115.11 116.21 3dx0 h GLN 217 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 3dx0 h GLN 217 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.54 3dx0 h GLN 217 CO -0.03 0.17 0.00 1.63 0.00 0.00 0.00 178.83 180.60 3dx0 n LYS 218 N -3.89 2.07 -0.52 1.69 5.02 -0.89 -3.69 118.16 117.95 3dx0 n LYS 218 Ca -0.02 -1.64 0.06 0.00 -2.02 0.00 0.00 58.31 54.69 3dx0 n LYS 218 Cb 0.26 -1.39 0.13 0.00 -0.02 0.00 0.00 35.03 34.01 3dx0 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dx0 n SER 219 N 0.84 1.61 0.00 4.39 7.64 0.08 -1.65 113.62 126.53 3dx0 n SER 219 Ca 0.16 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.95 3dx0 n SER 219 Cb 0.41 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3dx0 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dx0 n GLY 220 N -0.86 0.84 3.81 0.23 0.00 -1.09 -4.90 105.19 103.21 3dx0 n GLY 220 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3dx0 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dx0 s PHE 221 N -3.19 3.10 -0.04 1.61 0.40 -0.57 -4.81 117.98 114.47 3dx0 s PHE 221 Ca 0.00 1.57 0.03 0.00 -0.60 0.00 0.00 56.93 57.93 3dx0 s PHE 221 Cb 0.00 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 3dx0 s PHE 221 CO 0.00 -0.66 0.08 1.63 0.70 0.00 0.00 175.22 176.96 3dx0 n LYS 222 N -1.03 2.14 -3.70 0.44 4.76 -0.02 -4.57 118.16 116.17 3dx0 n LYS 222 Ca 0.09 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 3dx0 n LYS 222 Cb 0.53 -0.91 -0.07 0.00 -1.84 0.00 0.00 35.03 32.73 3dx0 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dx0 s ASN 223 N -1.95 -0.27 0.05 4.39 0.01 -1.06 -3.82 114.94 112.30 3dx0 s ASN 223 Ca -0.00 0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 52.15 3dx0 s ASN 223 Cb 0.02 0.38 0.01 0.00 0.41 0.00 0.00 41.25 42.06 3dx0 s ASN 223 CO 0.11 -0.55 0.21 0.00 -1.51 0.00 0.00 177.10 175.36 3dx0 s MET 224 N -1.80 0.73 -0.01 -0.60 0.23 -0.06 -1.19 119.30 116.60 3dx0 s MET 224 Ca -0.10 -0.67 0.06 0.00 -1.03 0.00 0.00 55.69 53.95 3dx0 s MET 224 Cb -0.03 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 3dx0 s MET 224 CO 0.02 -0.22 -0.19 -1.17 -2.03 0.00 0.00 175.02 171.43 3dx0 s LEU 225 N -2.22 2.05 0.16 0.18 0.20 0.52 -0.44 118.68 119.14 3dx0 s LEU 225 Ca -0.03 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.45 3dx0 s LEU 225 Cb -0.00 -0.96 -0.05 0.00 -0.43 0.00 0.00 46.19 44.75 3dx0 s LEU 225 CO -0.05 0.22 -0.02 0.27 -0.29 0.00 0.00 176.35 176.48 3dx0 s ILE 226 N -0.48 0.76 0.00 6.68 -4.36 -0.21 -1.67 121.20 121.92 3dx0 s ILE 226 Ca 0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3dx0 s ILE 226 Cb -0.07 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.60 3dx0 s ILE 226 CO -0.00 -0.56 0.00 1.67 0.24 0.00 0.00 174.94 176.29 3dx0 n GLN 227 N -0.22 0.00 -2.69 0.37 -0.06 -1.19 -1.59 117.38 112.00 3dx0 n GLN 227 Ca -0.08 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.50 3dx0 n GLN 227 Cb 0.63 -0.11 -0.02 0.00 -4.06 0.00 0.00 30.24 26.67 3dx0 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3dx0 s ARG 228 N -1.98 3.65 0.16 3.69 0.52 -1.26 -4.76 118.95 118.97 3dx0 s ARG 228 Ca 0.00 -1.47 0.07 0.00 -0.52 0.00 0.00 55.73 53.81 3dx0 s ARG 228 Cb 0.00 -5.22 -0.04 0.00 0.52 0.00 0.00 34.95 30.20 3dx0 s ARG 228 CO 0.00 -2.06 -0.15 0.95 0.02 0.00 0.00 175.30 174.06 3dx0 s THR 229 N 4.03 1.59 0.13 0.02 -4.23 -1.26 -2.49 115.64 113.43 3dx0 s THR 229 Ca 0.42 -1.92 -0.34 0.00 -1.18 0.00 0.00 61.69 58.67 3dx0 s THR 229 Cb -0.01 -1.78 -0.17 0.00 1.34 0.00 0.00 72.50 71.88 3dx0 s THR 229 CO -0.08 -0.44 1.15 1.57 -0.54 0.00 0.00 174.62 176.29 3dx0 n HIS 230 N 0.19 1.16 -0.04 3.99 -0.00 -1.26 -4.74 115.22 114.52 3dx0 n HIS 230 Ca -0.13 0.73 0.15 0.00 0.46 0.00 0.00 57.72 58.94 3dx0 n HIS 230 Cb 0.58 -2.25 0.59 0.00 -0.12 0.00 0.00 29.99 28.79 3dx0 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3dx0 h TYR 231 N 3.46 0.23 -0.04 1.57 -0.00 -1.81 -0.47 116.97 119.91 3dx0 h TYR 231 Ca -0.44 0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.16 3dx0 h TYR 231 Cb 1.36 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 38.00 3dx0 h TYR 231 CO 0.55 0.10 -0.58 1.03 -0.00 0.00 0.00 178.16 179.27 3dx0 h SER 232 N 0.21 0.13 -0.30 0.10 0.87 -1.88 -2.36 113.55 110.33 3dx0 h SER 232 Ca 0.26 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3dx0 h SER 232 Cb 0.74 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3dx0 h SER 232 CO -0.05 0.68 -0.09 0.58 -0.53 0.00 0.00 176.83 177.43 3dx0 h VAL 233 N 0.09 1.28 -0.51 2.23 2.07 -1.46 -1.63 116.25 118.32 3dx0 h VAL 233 Ca -0.00 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.46 3dx0 h VAL 233 Cb 1.05 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 3dx0 h VAL 233 CO 0.08 0.36 0.15 0.11 0.02 0.00 0.00 177.57 178.29 3dx0 h LYS 234 N 0.35 0.29 -0.27 1.57 1.57 -1.30 0.08 116.57 118.86 3dx0 h LYS 234 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dx0 h LYS 234 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dx0 h LYS 234 CO 0.03 0.19 0.14 -0.22 -0.57 0.00 0.00 179.45 179.03 3dx0 h LYS 235 N 0.30 0.38 0.13 3.15 3.64 -1.33 0.14 116.57 122.98 3dx0 h LYS 235 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3dx0 h LYS 235 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3dx0 h LYS 235 CO -0.29 0.34 -0.06 1.49 -2.27 0.00 0.00 179.45 178.65 3dx0 h GLU 236 N 0.32 -0.17 -0.39 1.90 4.57 -0.93 -1.58 114.58 118.30 3dx0 h GLU 236 Ca 0.09 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 3dx0 h GLU 236 Cb 0.07 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3dx0 h GLU 236 CO -0.01 -0.02 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.52 3dx0 h LEU 237 N -0.29 0.76 -0.52 1.64 3.38 -0.97 -3.00 115.31 116.31 3dx0 h LEU 237 Ca -0.02 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3dx0 h LEU 237 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3dx0 h LEU 237 CO 0.03 0.95 0.28 0.00 0.09 0.00 0.00 178.44 179.79 3dx0 h ALA 238 N 1.11 0.67 -0.47 1.53 0.00 -0.51 0.70 119.26 122.28 3dx0 h ALA 238 Ca 0.10 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3dx0 h ALA 238 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3dx0 h ALA 238 CO 0.05 -0.05 0.34 1.96 0.00 0.00 0.00 179.25 181.55 3dx0 h GLN 239 N 0.54 0.00 -0.55 0.00 4.20 -1.15 -0.69 115.11 117.46 3dx0 h GLN 239 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3dx0 h GLN 239 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3dx0 h GLN 239 CO -0.14 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.06 3dx0 n GLN 240 N -4.38 2.76 -4.02 1.46 1.13 -0.83 -4.97 117.38 108.53 3dx0 n GLN 240 Ca 0.08 -2.38 -0.27 0.00 -1.94 0.00 0.00 57.00 52.50 3dx0 n GLN 240 Cb 0.55 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 3dx0 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dx0 n ARG 241 N 1.15 -2.93 -0.68 -1.09 1.74 -0.27 -4.89 116.66 109.69 3dx0 n ARG 241 Ca 0.19 0.36 -0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3dx0 n ARG 241 Cb 0.54 -4.41 0.20 0.00 -1.02 0.00 0.00 32.46 27.77 3dx0 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3dx0 n GLN 242 N -4.43 1.87 0.10 5.56 6.02 0.15 -4.62 117.38 122.03 3dx0 n GLN 242 Ca -0.30 -3.14 0.13 0.00 -0.01 0.00 0.00 57.00 53.68 3dx0 n GLN 242 Cb 0.68 -1.76 0.29 0.00 1.02 0.00 0.00 30.24 30.47 3dx0 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dx0 h LEU 243 N 1.02 0.00 -8.58 1.08 3.38 -1.82 -3.41 115.31 106.97 3dx0 h LEU 243 Ca 0.14 -0.07 -0.66 0.00 0.09 0.00 0.00 57.88 57.38 3dx0 h LEU 243 Cb 1.47 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.95 3dx0 h LEU 243 CO 0.27 0.04 -0.76 -1.61 0.09 0.00 0.00 178.44 176.46 3dx0 s GLU 244 N -3.14 3.37 0.13 1.13 2.02 -1.26 -0.32 118.70 120.64 3dx0 s GLU 244 Ca 0.08 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.23 3dx0 s GLU 244 Cb 0.12 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.72 3dx0 s GLU 244 CO 0.65 0.17 0.41 -0.59 0.02 0.00 0.00 175.26 175.92 3dx0 s PHE 245 N 0.47 -0.19 -0.47 1.61 -0.12 -0.61 -4.28 117.98 114.39 3dx0 s PHE 245 Ca -0.09 -0.13 -0.19 0.00 -0.05 0.00 0.00 56.93 56.48 3dx0 s PHE 245 Cb -0.16 0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 3dx0 s PHE 245 CO 0.04 -0.72 0.56 -0.51 -0.05 0.00 0.00 175.22 174.54 3dx0 s LEU 246 N -2.81 4.91 -0.43 -1.99 1.43 0.11 -0.79 118.68 119.12 3dx0 s LEU 246 Ca 0.04 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.13 3dx0 s LEU 246 Cb 0.02 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.80 3dx0 s LEU 246 CO -0.11 -0.76 0.75 0.86 0.23 0.00 0.00 176.35 177.31 3dx0 s TRP 247 N 2.44 3.04 0.32 0.29 -0.11 -0.44 -1.46 118.94 123.01 3dx0 s TRP 247 Ca 0.15 0.21 0.08 0.00 1.22 0.00 0.00 56.10 57.76 3dx0 s TRP 247 Cb -0.18 -3.52 -0.04 0.00 -1.50 0.00 0.00 33.47 28.23 3dx0 s TRP 247 CO 0.13 -0.89 0.12 -0.98 -4.62 0.00 0.00 176.95 170.71 3dx0 s ARG 248 N 3.13 2.42 0.59 5.86 1.70 -0.35 -1.44 118.95 130.85 3dx0 s ARG 248 Ca 0.28 -1.46 -0.18 0.00 -0.47 0.00 0.00 55.73 53.90 3dx0 s ARG 248 Cb -0.13 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 32.00 3dx0 s ARG 248 CO 0.20 0.19 1.15 -0.65 -1.08 0.00 0.00 175.30 175.12 3dx0 s GLN 249 N -3.81 3.10 0.56 3.89 -1.52 -1.26 -4.29 119.66 116.34 3dx0 s GLN 249 Ca 0.36 1.63 0.30 0.00 -1.95 0.00 0.00 55.36 55.69 3dx0 s GLN 249 Cb -0.04 -1.97 1.69 0.00 -0.22 0.00 0.00 33.01 32.47 3dx0 s GLN 249 CO 0.22 -1.05 2.18 -0.84 -0.25 0.00 0.00 175.29 175.55 3dx0 h ILE 250 N 0.84 0.50 -0.02 1.08 3.07 -1.94 -1.70 117.51 119.33 3dx0 h ILE 250 Ca -0.49 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.66 3dx0 h ILE 250 Cb 1.27 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3dx0 h ILE 250 CO 0.56 0.05 -0.04 -2.67 -1.05 0.00 0.00 178.15 175.01 3dx0 n TRP 251 N -3.69 0.00 -2.84 0.16 2.14 -1.26 -4.61 117.44 107.34 3dx0 n TRP 251 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.12 3dx0 n TRP 251 Cb 0.16 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.61 3dx0 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3dx0 s ASP 252 N -2.04 6.20 0.13 -0.67 2.15 -0.64 -4.69 116.67 117.11 3dx0 s ASP 252 Ca 0.30 -0.83 -0.03 0.00 0.43 0.00 0.00 52.55 52.43 3dx0 s ASP 252 Cb 0.20 -2.43 -0.11 0.00 -0.30 0.00 0.00 42.92 40.28 3dx0 s ASP 252 CO 0.33 -1.41 1.29 -1.13 -0.17 0.00 0.00 175.17 174.08 3dx0 h ASN 253 N 9.53 0.44 0.52 -0.34 -1.24 -1.88 -3.33 115.58 119.29 3dx0 h ASN 253 Ca -0.28 -0.38 -0.29 0.00 0.71 0.00 0.00 56.30 56.06 3dx0 h ASN 253 Cb 1.07 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 3dx0 h ASN 253 CO 1.17 1.20 -1.45 0.50 -1.29 0.00 0.00 177.43 177.55 3dx0 h LYS 254 N 0.17 0.24 0.00 6.67 3.64 -1.98 -3.44 116.57 121.88 3dx0 h LYS 254 Ca -0.08 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dx0 h LYS 254 Cb 1.63 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3dx0 h LYS 254 CO 0.16 1.12 0.00 0.41 -2.27 0.00 0.00 179.45 178.87 3dx0 n GLY 255 N 1.62 0.99 0.28 5.01 0.00 -1.25 -5.00 105.19 106.84 3dx0 n GLY 255 Ca -0.14 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.03 3dx0 n GLY 255 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3dx0 h ASP 256 N 0.00 0.00 0.65 1.61 2.03 -1.94 -1.99 116.42 116.78 3dx0 h ASP 256 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dx0 h ASP 256 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3dx0 h ASP 256 CO 0.00 0.07 -0.18 0.35 -1.03 0.00 0.00 179.24 178.45 3dx0 n THR 257 N -3.44 0.00 -1.71 1.15 -2.24 -1.26 -4.97 114.28 101.81 3dx0 n THR 257 Ca -0.02 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 3dx0 n THR 257 Cb 0.20 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3dx0 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx0 n ALA 258 N -1.33 1.85 -3.39 6.98 0.00 -0.75 -4.73 120.51 119.14 3dx0 n ALA 258 Ca 0.09 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 3dx0 n ALA 258 Cb 0.32 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.24 3dx0 n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dx0 s LEU 259 N -0.48 1.63 0.12 0.00 2.96 -0.52 -4.89 118.68 117.50 3dx0 s LEU 259 Ca 0.63 -0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 53.98 3dx0 s LEU 259 Cb -0.56 -0.73 -0.10 0.00 0.50 0.00 0.00 46.19 45.31 3dx0 s LEU 259 CO 0.52 0.03 1.66 0.12 -1.32 0.00 0.00 176.35 177.36 3dx0 s PHE 260 N 0.59 2.63 -0.03 5.38 5.36 -1.25 -1.33 117.98 129.34 3dx0 s PHE 260 Ca -0.12 0.36 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 3dx0 s PHE 260 Cb -0.14 -4.00 -0.01 0.00 -0.34 0.00 0.00 43.02 38.53 3dx0 s PHE 260 CO 0.03 -3.93 -0.16 0.99 -1.46 0.00 0.00 175.22 170.68 3dx0 s THR 261 N 2.03 1.32 -0.24 0.12 2.01 0.03 -0.88 115.64 120.03 3dx0 s THR 261 Ca 0.74 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 3dx0 s THR 261 Cb -0.43 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 70.97 3dx0 s THR 261 CO 0.33 0.38 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.31 3dx0 s HIS 262 N -0.10 3.01 -0.22 4.92 2.46 0.42 -1.57 115.29 124.21 3dx0 s HIS 262 Ca -0.00 -1.23 -0.16 0.00 0.47 0.00 0.00 55.06 54.14 3dx0 s HIS 262 Cb -0.09 -2.09 -0.04 0.00 -0.13 0.00 0.00 32.58 30.23 3dx0 s HIS 262 CO 0.01 -0.64 0.41 1.41 -2.47 0.00 0.00 174.74 173.46 3dx0 s MET 263 N 1.41 4.13 0.55 2.88 1.75 0.57 -1.05 119.30 129.54 3dx0 s MET 263 Ca 0.03 0.18 -0.19 0.00 -1.25 0.00 0.00 55.69 54.46 3dx0 s MET 263 Cb -0.15 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.89 3dx0 s MET 263 CO -0.04 -0.12 1.13 -1.64 -0.65 0.00 0.00 175.02 173.70 3dx0 s MET 264 N 1.58 3.32 0.10 4.11 -1.94 -0.62 -4.79 119.30 121.07 3dx0 s MET 264 Ca 0.18 1.59 0.23 0.00 -1.71 0.00 0.00 55.69 55.99 3dx0 s MET 264 Cb -0.15 -2.00 0.15 0.00 2.01 0.00 0.00 34.83 34.84 3dx0 s MET 264 CO 0.08 -0.87 1.14 -0.35 -0.01 0.00 0.00 175.02 175.01 3dx0 n PRO 265 N -1.38 0.35 -3.19 2.03 -0.04 -1.26 -4.86 135.00 126.65 3dx0 n PRO 265 Ca 0.12 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 3dx0 n PRO 265 Cb 0.51 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 3dx0 n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dx0 n PHE 266 N -2.15 -0.04 0.16 0.54 3.72 -1.26 -4.81 117.46 113.62 3dx0 n PHE 266 Ca 0.02 -1.35 0.01 0.00 -0.05 0.00 0.00 57.45 56.08 3dx0 n PHE 266 Cb 0.46 -0.21 0.25 0.00 -0.94 0.00 0.00 39.48 39.04 3dx0 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3dx0 h TYR 267 N 0.91 0.00 -4.23 1.38 3.20 -1.95 -3.46 116.97 112.82 3dx0 h TYR 267 Ca -0.22 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.50 3dx0 h TYR 267 Cb 0.71 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.84 3dx0 h TYR 267 CO 0.00 0.51 -0.52 0.45 -1.64 0.00 0.00 178.16 176.96 3dx0 s SER 268 N -6.76 0.20 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.89 3dx0 s SER 268 Ca -0.01 -1.10 0.24 0.00 0.70 0.00 0.00 55.95 55.78 3dx0 s SER 268 Cb 0.13 0.36 0.78 0.00 -1.71 0.00 0.00 66.02 65.57 3dx0 s SER 268 CO 0.74 -0.80 1.58 0.00 1.20 0.00 0.00 173.24 175.95 3dx0 n TYR 269 N -0.15 0.14 -1.04 3.44 0.18 -1.26 -4.52 117.16 113.94 3dx0 n TYR 269 Ca -0.06 -0.07 -0.29 0.00 1.88 0.00 0.00 57.90 59.37 3dx0 n TYR 269 Cb 0.64 0.00 0.20 0.00 -0.38 0.00 0.00 39.34 39.80 3dx0 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3dx0 s ASP 270 N -1.77 1.92 0.15 9.48 1.47 -1.26 -4.60 116.67 122.06 3dx0 s ASP 270 Ca 0.35 1.11 -0.12 0.00 1.18 0.00 0.00 52.55 55.07 3dx0 s ASP 270 Cb 0.20 -1.73 0.03 0.00 -0.34 0.00 0.00 42.92 41.07 3dx0 s ASP 270 CO 0.30 -3.56 1.62 0.40 0.68 0.00 0.00 175.17 174.61 3dx0 h ILE 271 N -2.19 1.26 -0.47 2.11 2.04 -1.89 -2.33 117.51 116.03 3dx0 h ILE 271 Ca -0.54 -1.02 0.14 0.00 1.00 0.00 0.00 64.86 64.43 3dx0 h ILE 271 Cb 1.33 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3dx0 h ILE 271 CO 0.53 0.36 0.42 -0.65 0.00 0.00 0.00 178.15 178.81 3dx0 h PRO 272 N 0.76 0.00 -0.31 2.37 0.11 -1.87 -2.09 132.00 130.96 3dx0 h PRO 272 Ca 0.15 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3dx0 h PRO 272 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 3dx0 h PRO 272 CO 0.02 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.53 3dx0 n HIS 273 N -3.98 1.05 0.00 0.65 8.25 -0.91 -3.81 115.22 116.48 3dx0 n HIS 273 Ca 0.09 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 3dx0 n HIS 273 Cb 0.62 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3dx0 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dx0 n THR 274 N -0.70 0.00 0.22 1.59 -2.24 -0.79 -4.63 114.28 107.73 3dx0 n THR 274 Ca 0.26 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 3dx0 n THR 274 Cb 0.96 0.69 0.17 0.00 -2.10 0.00 0.00 70.33 70.05 3dx0 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx0 n GLY 276 N 1.11 -2.00 0.23 0.00 0.00 -1.26 -3.49 105.19 99.77 3dx0 n GLY 276 Ca 0.04 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.96 3dx0 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dx0 h PRO 277 N 0.00 0.00 -4.51 1.61 0.13 -1.93 -3.42 132.00 123.88 3dx0 h PRO 277 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 3dx0 h PRO 277 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 3dx0 h PRO 277 CO 0.00 0.00 -0.54 0.34 -0.23 0.00 0.00 178.00 177.57 3dx0 s ASP 278 N -5.24 5.36 0.48 1.44 -1.08 -1.26 -3.32 116.67 113.04 3dx0 s ASP 278 Ca 0.02 -1.72 0.24 0.00 -0.52 0.00 0.00 52.55 50.58 3dx0 s ASP 278 Cb 0.09 -1.88 1.20 0.00 -1.46 0.00 0.00 42.92 40.88 3dx0 s ASP 278 CO 0.50 -0.51 1.97 1.55 0.52 0.00 0.00 175.17 179.21 3dx0 h PRO 279 N 8.19 0.00 -0.15 4.34 0.13 -1.79 -1.22 132.00 141.49 3dx0 h PRO 279 Ca -0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 3dx0 h PRO 279 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3dx0 h PRO 279 CO 0.70 0.19 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.40 3dx0 h LYS 280 N 0.00 0.23 0.00 0.86 3.64 -1.92 -0.52 116.57 118.85 3dx0 h LYS 280 Ca -0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3dx0 h LYS 280 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3dx0 h LYS 280 CO 0.02 0.28 -0.24 0.28 -2.27 0.00 0.00 179.45 177.53 3dx0 h VAL 281 N 0.22 1.50 -0.30 2.00 2.07 -1.66 -3.37 116.25 116.71 3dx0 h VAL 281 Ca 0.05 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 3dx0 h VAL 281 Cb 0.22 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3dx0 h VAL 281 CO 0.01 0.51 0.16 0.00 0.02 0.00 0.00 177.57 178.26 3dx0 n GLN 284 N -4.19 0.46 -0.21 0.00 6.02 -0.20 -2.15 117.38 117.12 3dx0 n GLN 284 Ca -0.02 0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.09 3dx0 n GLN 284 Cb 0.14 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.06 3dx0 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3dx0 n PHE 285 N -1.17 0.42 -3.35 1.08 3.72 0.01 -4.23 117.46 113.94 3dx0 n PHE 285 Ca 0.13 -0.77 -0.46 0.00 -0.05 0.00 0.00 57.45 56.29 3dx0 n PHE 285 Cb 0.13 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3dx0 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dx0 s ASP 286 N -1.86 6.48 0.00 4.37 -1.08 -0.91 -4.95 116.67 118.72 3dx0 s ASP 286 Ca 0.28 -2.42 0.18 0.00 -0.52 0.00 0.00 52.55 50.08 3dx0 s ASP 286 Cb 0.22 -2.18 1.10 0.00 -1.46 0.00 0.00 42.92 40.60 3dx0 s ASP 286 CO 0.07 -0.65 1.50 0.49 0.52 0.00 0.00 175.17 177.11 3dx0 n PHE 287 N 4.34 0.00 1.77 -5.34 3.72 -1.26 -1.63 117.46 119.06 3dx0 n PHE 287 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 3dx0 n PHE 287 Cb 0.44 0.00 0.83 0.00 -0.94 0.00 0.00 39.48 39.81 3dx0 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3dx0 n LYS 288 N -0.97 0.94 -0.93 -1.08 4.81 -1.26 -4.27 118.16 115.40 3dx0 n LYS 288 Ca 0.14 -0.14 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3dx0 n LYS 288 Cb 0.06 -1.50 0.22 0.00 0.02 0.00 0.00 35.03 33.84 3dx0 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dx0 n ARG 289 N -0.91 2.44 0.01 1.64 1.74 -0.65 -4.44 116.66 116.50 3dx0 n ARG 289 Ca 0.21 -3.08 0.12 0.00 -0.77 0.00 0.00 57.85 54.33 3dx0 n ARG 289 Cb 0.18 -2.00 0.24 0.00 -1.02 0.00 0.00 32.46 29.86 3dx0 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3dx0 n MET 290 N -0.88 0.07 0.00 5.56 2.81 -1.26 -4.33 117.12 119.09 3dx0 n MET 290 Ca 0.41 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 3dx0 n MET 290 Cb 1.28 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 3dx0 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dx0 n GLY 291 N 1.46 3.95 0.27 3.03 0.00 -1.25 -5.00 105.19 107.66 3dx0 n GLY 291 Ca 0.05 -0.66 0.18 0.00 0.00 0.00 0.00 46.02 45.58 3dx0 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dx0 h SER 292 N 0.15 0.00 -0.31 1.61 4.64 -1.89 -1.02 113.55 116.73 3dx0 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dx0 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dx0 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3dx0 n PHE 293 N -2.85 0.39 -1.62 4.77 3.72 -1.26 -4.96 117.46 115.65 3dx0 n PHE 293 Ca -0.01 -0.19 -0.10 0.00 -0.05 0.00 0.00 57.45 57.09 3dx0 n PHE 293 Cb 0.15 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 3dx0 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dx0 n GLY 294 N 1.40 0.72 3.41 1.37 0.00 -0.39 -5.04 105.19 106.67 3dx0 n GLY 294 Ca 0.18 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3dx0 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx0 s LEU 295 N -2.51 2.40 0.27 0.99 1.43 -1.26 -5.07 118.68 114.93 3dx0 s LEU 295 Ca 0.00 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 3dx0 s LEU 295 Cb 0.00 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 3dx0 s LEU 295 CO 0.00 0.15 0.37 -0.94 0.23 0.00 0.00 176.35 176.16 3dx0 s SER 296 N -2.42 0.44 -0.29 2.29 1.04 -1.26 -3.74 113.70 109.75 3dx0 s SER 296 Ca 0.18 -1.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 3dx0 s SER 296 Cb -0.09 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3dx0 s SER 296 CO 0.08 -1.11 0.24 0.00 0.98 0.00 0.00 173.24 173.43 3dx0 h PRO 298 N 8.36 0.00 0.00 0.00 0.11 -1.98 -1.08 132.00 137.41 3dx0 h PRO 298 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3dx0 h PRO 298 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dx0 h PRO 298 CO 0.59 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.29 3dx0 n TRP 299 N -3.29 0.00 -1.22 0.65 8.01 -1.26 -4.92 117.44 115.41 3dx0 n TRP 299 Ca -0.03 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.09 3dx0 n TRP 299 Cb 0.10 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.34 3dx0 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dx0 n LYS 300 N -1.02 -0.69 -4.07 -0.99 5.02 -0.41 -5.01 118.16 110.99 3dx0 n LYS 300 Ca 0.22 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.91 3dx0 n LYS 300 Cb 0.12 -4.56 -0.16 0.00 -0.02 0.00 0.00 35.03 30.41 3dx0 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dx0 s VAL 301 N -2.20 1.92 0.65 -0.18 1.01 -1.26 -5.07 120.40 115.27 3dx0 s VAL 301 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 3dx0 s VAL 301 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3dx0 s VAL 301 CO 0.00 0.36 1.02 -2.16 0.00 0.00 0.00 175.10 174.33 3dx0 s PRO 302 N 1.31 3.05 0.65 2.72 0.04 -1.26 -4.56 135.00 136.95 3dx0 s PRO 302 Ca 0.02 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 3dx0 s PRO 302 Cb -0.15 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 3dx0 s PRO 302 CO -0.10 -0.83 1.17 -2.14 0.04 0.00 0.00 177.00 175.14 3dx0 s PRO 303 N -5.21 2.70 0.04 0.56 0.02 -1.26 -4.73 135.00 127.13 3dx0 s PRO 303 Ca 0.56 1.66 0.08 0.00 0.02 0.00 0.00 61.00 63.32 3dx0 s PRO 303 Cb -0.11 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3dx0 s PRO 303 CO 0.50 -1.38 -0.23 1.03 -0.33 0.00 0.00 177.00 176.59 3dx0 s ARG 304 N -3.72 1.55 0.32 5.54 0.52 -1.26 -4.79 118.95 117.11 3dx0 s ARG 304 Ca 0.73 -1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 3dx0 s ARG 304 Cb -0.27 -1.69 -0.11 0.00 0.52 0.00 0.00 34.95 33.40 3dx0 s ARG 304 CO 0.39 0.43 1.55 0.99 0.02 0.00 0.00 175.30 178.67 3dx0 s THR 305 N -0.80 2.09 0.09 0.02 2.01 -1.26 -4.93 115.64 112.85 3dx0 s THR 305 Ca 0.09 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3dx0 s THR 305 Cb -0.09 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3dx0 s THR 305 CO 0.02 0.02 1.01 -0.63 -0.69 0.00 0.00 174.62 174.35 3dx0 s ILE 306 N -0.42 4.46 0.26 1.82 -1.09 -1.26 -4.98 121.20 119.99 3dx0 s ILE 306 Ca 0.59 1.94 0.02 0.00 -2.23 0.00 0.00 60.65 60.98 3dx0 s ILE 306 Cb -0.47 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.11 3dx0 s ILE 306 CO 0.53 0.25 0.06 -0.94 -1.23 0.00 0.00 174.94 173.61 3dx0 s SER 307 N 0.36 1.60 0.60 3.58 1.04 -1.26 -5.00 113.70 114.62 3dx0 s SER 307 Ca 0.50 -1.33 0.31 0.00 0.48 0.00 0.00 55.95 55.91 3dx0 s SER 307 Cb -0.24 0.07 1.89 0.00 0.10 0.00 0.00 66.02 67.84 3dx0 s SER 307 CO 0.30 -0.65 2.26 0.44 0.98 0.00 0.00 173.24 176.58 3dx0 h ASP 308 N 2.36 0.00 1.23 7.02 3.32 -2.00 -0.83 116.42 127.52 3dx0 h ASP 308 Ca -0.39 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3dx0 h ASP 308 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3dx0 h ASP 308 CO 0.64 0.00 -0.81 1.56 -1.72 0.00 0.00 179.24 178.91 3dx0 h GLN 309 N 0.00 0.00 -0.01 3.56 7.50 -2.00 -3.36 115.11 120.81 3dx0 h GLN 309 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3dx0 h GLN 309 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 3dx0 h GLN 309 CO -0.00 0.27 -0.23 0.27 -1.50 0.00 0.00 178.83 177.63 3dx0 n ASN 310 N -3.00 1.00 -0.33 1.46 0.23 -1.08 -4.73 115.26 108.82 3dx0 n ASN 310 Ca -0.02 -1.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.01 3dx0 n ASN 310 Cb 0.70 0.58 0.12 0.00 -2.08 0.00 0.00 39.78 39.10 3dx0 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3dx0 h VAL 311 N 0.81 1.25 -0.02 3.53 3.04 -1.31 -1.03 116.25 122.52 3dx0 h VAL 311 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3dx0 h VAL 311 Cb 0.29 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.52 3dx0 h VAL 311 CO 0.00 0.26 0.01 0.00 -1.01 0.00 0.00 177.57 176.83 3dx0 h ALA 312 N 1.35 0.02 -0.44 3.17 0.00 -1.84 0.63 119.26 122.15 3dx0 h ALA 312 Ca 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3dx0 h ALA 312 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dx0 h ALA 312 CO -0.06 -0.47 -0.17 0.00 0.00 0.00 0.00 179.25 178.55 3dx0 h ALA 313 N 0.98 0.87 -0.39 0.00 0.00 -1.82 0.06 119.26 118.96 3dx0 h ALA 313 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3dx0 h ALA 313 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3dx0 h ALA 313 CO -0.00 0.64 0.16 0.00 0.00 0.00 0.00 179.25 180.05 3dx0 h ARG 314 N 0.74 0.57 -0.72 0.00 2.47 -1.08 -2.10 114.38 114.27 3dx0 h ARG 314 Ca 0.11 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3dx0 h ARG 314 Cb 0.69 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 3dx0 h ARG 314 CO 0.05 0.54 0.28 0.77 0.56 0.00 0.00 179.97 182.16 3dx0 h SER 315 N 0.48 1.01 -0.49 7.04 0.02 -0.75 -1.04 113.55 119.82 3dx0 h SER 315 Ca 0.13 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3dx0 h SER 315 Cb 0.17 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.36 3dx0 h SER 315 CO -0.01 0.92 -0.08 0.44 -1.14 0.00 0.00 176.83 176.96 3dx0 h ASP 316 N 1.04 -0.36 -0.30 3.07 3.32 -0.73 0.23 116.42 122.69 3dx0 h ASP 316 Ca 0.24 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3dx0 h ASP 316 Cb 0.23 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3dx0 h ASP 316 CO -0.02 -0.13 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.29 3dx0 h LEU 317 N 0.04 0.53 -0.06 1.55 3.38 -0.99 -2.56 115.31 117.19 3dx0 h LEU 317 Ca 0.24 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3dx0 h LEU 317 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dx0 h LEU 317 CO -0.47 0.73 -0.19 0.25 0.09 0.00 0.00 178.44 178.85 3dx0 h LEU 318 N 0.33 0.27 -1.37 1.67 5.85 -0.72 -2.64 115.31 118.71 3dx0 h LEU 318 Ca 0.08 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.24 3dx0 h LEU 318 Cb 0.46 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3dx0 h LEU 318 CO 0.02 0.83 0.46 0.58 -0.34 0.00 0.00 178.44 179.99 3dx0 h VAL 319 N -0.27 1.07 -0.62 1.05 2.07 -0.62 -0.30 116.25 118.64 3dx0 h VAL 319 Ca -0.01 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3dx0 h VAL 319 Cb 0.81 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3dx0 h VAL 319 CO 0.04 0.15 0.21 -0.78 0.02 0.00 0.00 177.57 177.20 3dx0 h ASP 320 N 0.80 0.88 -0.08 0.57 3.58 -1.33 0.60 116.42 121.43 3dx0 h ASP 320 Ca 0.29 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.56 3dx0 h ASP 320 Cb 0.14 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3dx0 h ASP 320 CO -0.09 0.85 -0.04 1.56 -2.88 0.00 0.00 179.24 178.64 3dx0 h GLN 321 N 0.87 -0.04 -0.87 0.28 1.08 -0.96 -1.65 115.11 113.84 3dx0 h GLN 321 Ca 0.20 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.46 3dx0 h GLN 321 Cb 0.27 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.65 3dx0 h GLN 321 CO -0.01 -0.02 0.54 -1.49 -0.95 0.00 0.00 178.83 176.90 3dx0 h TRP 322 N -0.04 1.00 -0.02 2.96 6.55 -0.69 -0.78 115.95 124.94 3dx0 h TRP 322 Ca 0.05 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.79 3dx0 h TRP 322 Cb 0.11 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.07 3dx0 h TRP 322 CO -0.16 0.52 -0.58 0.87 -1.05 0.00 0.00 178.44 178.04 3dx0 h LYS 323 N 0.99 0.07 0.07 0.49 1.57 -0.69 0.36 116.57 119.43 3dx0 h LYS 323 Ca 0.37 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3dx0 h LYS 323 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dx0 h LYS 323 CO -0.17 0.63 -0.03 0.87 -0.57 0.00 0.00 179.45 180.18 3dx0 h LYS 324 N 0.05 -0.09 -0.71 3.15 1.57 -0.86 -2.72 116.57 116.96 3dx0 h LYS 324 Ca -0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3dx0 h LYS 324 Cb 1.04 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 3dx0 h LYS 324 CO 0.08 0.18 0.35 -0.22 -0.57 0.00 0.00 179.45 179.27 3dx0 h LYS 325 N -0.36 0.58 0.00 3.15 3.64 -0.93 -2.14 116.57 120.50 3dx0 h LYS 325 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3dx0 h LYS 325 Cb 0.31 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3dx0 h LYS 325 CO 0.02 0.38 -0.04 0.00 -2.27 0.00 0.00 179.45 177.54 3dx0 h ALA 326 N 1.43 1.23 0.00 5.00 0.00 -0.82 -1.34 119.26 124.76 3dx0 h ALA 326 Ca 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3dx0 h ALA 326 Cb 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dx0 h ALA 326 CO -0.27 0.05 -0.03 0.93 0.00 0.00 0.00 179.25 179.93 3dx0 h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -1.06 -2.66 114.58 115.25 3dx0 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dx0 h GLU 327 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3dx0 h GLU 327 CO 0.01 0.03 -0.08 1.28 -1.16 0.00 0.00 179.01 179.08 3dx0 n LEU 328 N -3.17 0.33 -4.43 1.33 4.77 -0.51 -4.90 117.00 110.43 3dx0 n LEU 328 Ca -0.01 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 3dx0 n LEU 328 Cb 0.24 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 3dx0 n LEU 328 CO 0.26 0.06 -0.34 -0.31 -1.33 0.00 0.00 177.39 175.73 3dx0 s TYR 329 N -2.49 1.93 -0.36 -1.77 2.02 -1.00 -4.40 117.35 111.28 3dx0 s TYR 329 Ca 0.29 -0.78 0.22 0.00 -0.37 0.00 0.00 57.07 56.43 3dx0 s TYR 329 Cb 0.20 -1.16 -0.18 0.00 -0.40 0.00 0.00 41.96 40.43 3dx0 s TYR 329 CO 0.47 0.19 0.76 0.54 -1.57 0.00 0.00 175.55 175.94 3dx0 n ARG 330 N -0.60 0.45 -3.57 -0.62 1.74 -1.26 -4.97 116.66 107.83 3dx0 n ARG 330 Ca -0.05 -0.08 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 3dx0 n ARG 330 Cb 0.64 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3dx0 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dx0 s THR 331 N -3.33 2.12 -0.41 0.55 -4.23 -1.26 -4.71 115.64 104.37 3dx0 s THR 331 Ca -0.02 -1.32 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 3dx0 s THR 331 Cb 0.14 -2.44 0.48 0.00 1.34 0.00 0.00 72.50 72.02 3dx0 s THR 331 CO 0.86 0.00 1.44 -0.46 -0.54 0.00 0.00 174.62 175.92 3dx0 n ASN 332 N -1.80 3.79 -4.15 3.99 6.94 -1.26 -4.84 115.26 117.93 3dx0 n ASN 332 Ca 0.04 -2.81 -0.33 0.00 -0.02 0.00 0.00 54.58 51.47 3dx0 n ASN 332 Cb 0.63 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 37.22 3dx0 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dx0 s VAL 333 N -2.13 2.04 -0.13 3.53 1.01 -1.26 -0.61 120.40 122.85 3dx0 s VAL 333 Ca 0.36 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3dx0 s VAL 333 Cb 0.29 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3dx0 s VAL 333 CO 0.09 0.54 -0.15 -0.22 0.00 0.00 0.00 175.10 175.36 3dx0 s LEU 334 N 0.97 2.57 -0.23 3.92 2.96 0.90 -4.96 118.68 124.81 3dx0 s LEU 334 Ca -0.03 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.32 3dx0 s LEU 334 Cb -0.15 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3dx0 s LEU 334 CO -0.05 0.15 0.46 -0.22 -1.32 0.00 0.00 176.35 175.36 3dx0 s LEU 335 N 0.45 4.10 -0.45 -0.68 2.96 -1.26 -1.05 118.68 122.74 3dx0 s LEU 335 Ca -0.11 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 3dx0 s LEU 335 Cb -0.16 -2.59 0.12 0.00 0.50 0.00 0.00 46.19 44.06 3dx0 s LEU 335 CO 0.05 -0.18 0.19 -0.63 -1.32 0.00 0.00 176.35 174.46 3dx0 s ILE 336 N 1.82 2.29 0.56 6.68 -1.09 0.16 -4.96 121.20 126.65 3dx0 s ILE 336 Ca 0.20 -2.88 -0.21 0.00 -2.23 0.00 0.00 60.65 55.53 3dx0 s ILE 336 Cb -0.15 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3dx0 s ILE 336 CO 0.09 -0.75 1.35 -2.84 -1.23 0.00 0.00 174.94 171.56 3dx0 s PRO 337 N 0.20 3.06 -0.39 2.79 0.02 -1.26 -0.70 135.00 138.72 3dx0 s PRO 337 Ca 0.15 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3dx0 s PRO 337 Cb -0.24 -2.20 0.13 0.00 0.02 0.00 0.00 34.50 32.22 3dx0 s PRO 337 CO -0.03 -1.24 0.21 -1.17 -0.33 0.00 0.00 177.00 174.43 3dx0 s LEU 338 N -3.64 2.01 0.00 -5.54 2.96 -0.05 -4.74 118.68 109.67 3dx0 s LEU 338 Ca 0.73 -2.31 0.00 0.00 -0.22 0.00 0.00 54.13 52.33 3dx0 s LEU 338 Cb -0.40 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.51 3dx0 s LEU 338 CO 0.46 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3dx0 n GLY 339 N 3.93 -1.29 0.00 7.98 0.00 -1.26 -1.56 105.19 112.99 3dx0 n GLY 339 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3dx0 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dx0 n ASP 340 N 0.35 0.00 -4.69 1.61 -0.08 -1.25 -3.44 116.55 109.06 3dx0 n ASP 340 Ca 0.00 -0.98 -0.42 0.00 -1.51 0.00 0.00 54.79 51.88 3dx0 n ASP 340 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 3dx0 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3dx0 s ASP 341 N -0.94 6.75 -1.49 1.67 1.11 -1.26 -1.58 116.67 120.94 3dx0 s ASP 341 Ca 0.00 2.28 -0.12 0.00 0.18 0.00 0.00 52.55 54.88 3dx0 s ASP 341 Cb 0.00 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.51 3dx0 s ASP 341 CO 0.00 -0.78 0.78 0.49 1.18 0.00 0.00 175.17 176.85 3dx0 n PHE 342 N 5.33 -2.06 -1.88 4.23 3.72 0.79 -4.81 117.46 122.79 3dx0 n PHE 342 Ca 0.14 0.73 -0.29 0.00 -0.05 0.00 0.00 57.45 57.98 3dx0 n PHE 342 Cb 0.42 -3.59 0.07 0.00 -0.94 0.00 0.00 39.48 35.44 3dx0 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3dx0 s ARG 343 N -6.40 2.33 -0.87 -1.08 1.81 -1.16 -4.44 118.95 109.13 3dx0 s ARG 343 Ca 0.57 0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 54.81 3dx0 s ARG 343 Cb -0.29 -1.98 0.01 0.00 -0.45 0.00 0.00 34.95 32.24 3dx0 s ARG 343 CO 0.70 -1.37 0.76 1.19 -0.68 0.00 0.00 175.30 175.90 3dx0 n PHE 344 N -3.20 -1.83 -0.09 -0.53 3.72 -1.26 -4.74 117.46 109.54 3dx0 n PHE 344 Ca 0.07 0.66 -0.15 0.00 -0.05 0.00 0.00 57.45 57.99 3dx0 n PHE 344 Cb 0.59 -3.70 -0.09 0.00 -0.94 0.00 0.00 39.48 35.34 3dx0 n PHE 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3dx0 h LYS 345 N -1.70 0.00 -6.29 -1.08 3.64 -1.89 -3.39 116.57 105.86 3dx0 h LYS 345 Ca -0.37 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.45 3dx0 h LYS 345 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3dx0 h LYS 345 CO 0.36 0.71 -0.23 -0.65 -2.27 0.00 0.00 179.45 177.37 3dx0 s GLN 346 N -2.24 3.69 0.23 1.90 -0.21 -1.26 -4.20 119.66 117.57 3dx0 s GLN 346 Ca -0.21 0.05 -0.06 0.00 0.02 0.00 0.00 55.36 55.16 3dx0 s GLN 346 Cb 0.03 -2.76 0.36 0.00 1.00 0.00 0.00 33.01 31.64 3dx0 s GLN 346 CO 0.48 0.40 1.80 -0.91 -2.12 0.00 0.00 175.29 174.94 3dx0 h ASN 347 N 2.64 0.58 0.30 5.90 4.21 -1.95 -1.70 115.58 125.56 3dx0 h ASN 347 Ca -0.46 0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.06 3dx0 h ASN 347 Cb 1.17 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.31 3dx0 h ASN 347 CO 0.71 0.33 -0.20 0.71 -1.29 0.00 0.00 177.43 177.69 3dx0 h THR 348 N 0.71 0.95 -0.22 2.81 1.35 -1.99 -1.54 112.91 114.98 3dx0 h THR 348 Ca 0.37 -0.74 -0.12 0.00 -0.55 0.00 0.00 66.41 65.38 3dx0 h THR 348 Cb 0.35 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3dx0 h THR 348 CO -0.25 0.20 -0.32 -0.08 -0.25 0.00 0.00 175.52 174.82 3dx0 h GLU 349 N 0.00 0.60 -0.53 4.72 4.81 -1.72 -1.16 114.58 121.30 3dx0 h GLU 349 Ca -0.00 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3dx0 h GLU 349 Cb 0.40 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3dx0 h GLU 349 CO 0.03 0.96 0.24 -1.49 -0.73 0.00 0.00 179.01 178.02 3dx0 h TRP 350 N 0.29 0.44 -0.24 0.92 4.06 -0.96 -2.12 115.95 118.34 3dx0 h TRP 350 Ca 0.02 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3dx0 h TRP 350 Cb 0.90 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 3dx0 h TRP 350 CO 0.08 0.19 0.10 -0.44 -3.56 0.00 0.00 178.44 174.81 3dx0 h ASP 351 N 0.47 0.33 -0.27 -3.49 3.32 -1.28 -1.21 116.42 114.28 3dx0 h ASP 351 Ca 0.24 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3dx0 h ASP 351 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3dx0 h ASP 351 CO -0.19 0.40 -0.12 1.62 -1.72 0.00 0.00 179.24 179.22 3dx0 h VAL 352 N 0.24 1.25 0.02 -1.35 3.04 -0.98 0.77 116.25 119.24 3dx0 h VAL 352 Ca 0.08 -1.14 -0.00 0.00 -1.01 0.00 0.00 66.70 64.63 3dx0 h VAL 352 Cb 0.17 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3dx0 h VAL 352 CO -0.01 0.38 -0.01 1.56 -1.01 0.00 0.00 177.57 178.49 3dx0 h GLN 353 N 0.62 -0.03 -0.06 4.17 1.08 -1.38 -3.16 115.11 116.36 3dx0 h GLN 353 Ca 0.11 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3dx0 h GLN 353 Cb 0.57 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3dx0 h GLN 353 CO 0.04 0.57 0.03 -0.09 -0.95 0.00 0.00 178.83 178.43 3dx0 h ARG 354 N -0.65 0.08 -0.29 1.46 2.43 -1.04 -1.62 114.38 114.76 3dx0 h ARG 354 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3dx0 h ARG 354 Cb 0.61 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3dx0 h ARG 354 CO 0.00 0.09 0.02 0.28 -1.51 0.00 0.00 179.97 178.86 3dx0 h VAL 355 N 0.04 1.25 -0.63 0.20 2.07 -1.00 0.49 116.25 118.67 3dx0 h VAL 355 Ca 0.02 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3dx0 h VAL 355 Cb 0.03 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3dx0 h VAL 355 CO -0.00 0.28 0.30 0.78 0.02 0.00 0.00 177.57 178.95 3dx0 h ASN 356 N 0.30 0.83 -0.72 0.57 2.35 -1.56 -1.65 115.58 115.71 3dx0 h ASN 356 Ca 0.08 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3dx0 h ASN 356 Cb 0.39 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3dx0 h ASN 356 CO 0.01 0.74 0.22 1.88 -1.65 0.00 0.00 177.43 178.62 3dx0 h TYR 357 N 0.87 1.16 -0.73 1.19 0.05 -1.11 -2.36 116.97 116.04 3dx0 h TYR 357 Ca 0.22 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3dx0 h TYR 357 Cb 0.13 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 3dx0 h TYR 357 CO 0.00 0.93 0.43 0.93 -1.05 0.00 0.00 178.16 179.40 3dx0 h GLU 358 N 1.06 0.99 -0.71 4.88 5.08 -0.62 0.11 114.58 125.36 3dx0 h GLU 358 Ca 0.23 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3dx0 h GLU 358 Cb 0.32 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3dx0 h GLU 358 CO -0.01 0.70 0.27 0.00 -1.00 0.00 0.00 179.01 178.97 3dx0 h ARG 359 N 1.00 1.08 -0.36 2.33 3.08 -1.11 -0.95 114.38 119.45 3dx0 h ARG 359 Ca 0.26 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3dx0 h ARG 359 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3dx0 h ARG 359 CO -0.05 0.90 0.15 -0.07 -1.07 0.00 0.00 179.97 179.83 3dx0 h LEU 360 N 1.03 0.50 -0.54 3.04 3.38 -0.80 -2.44 115.31 119.47 3dx0 h LEU 360 Ca 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dx0 h LEU 360 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3dx0 h LEU 360 CO -0.02 0.52 0.25 -0.26 0.09 0.00 0.00 178.44 179.03 3dx0 h PHE 361 N 0.44 0.79 -0.61 1.13 0.04 -0.58 -0.40 116.94 117.75 3dx0 h PHE 361 Ca 0.12 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3dx0 h PHE 361 Cb 0.18 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3dx0 h PHE 361 CO -0.00 0.63 0.38 1.49 -0.60 0.00 0.00 178.31 180.21 3dx0 h GLU 362 N 0.73 0.82 0.35 1.51 4.81 -1.06 -0.05 114.58 121.69 3dx0 h GLU 362 Ca 0.18 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3dx0 h GLU 362 Cb 0.14 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3dx0 h GLU 362 CO -0.02 0.57 -0.17 1.25 -0.73 0.00 0.00 179.01 179.91 3dx0 h HIS 363 N 0.83 -0.43 -0.74 0.92 2.76 -1.26 -2.97 115.15 114.26 3dx0 h HIS 363 Ca 0.22 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3dx0 h HIS 363 Cb -0.05 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 3dx0 h HIS 363 CO -0.02 -0.12 0.46 0.82 -1.30 0.00 0.00 177.93 177.77 3dx0 h ILE 364 N -0.76 1.20 0.00 6.26 2.04 -0.95 -1.70 117.51 123.61 3dx0 h ILE 364 Ca -0.05 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dx0 h ILE 364 Cb 0.51 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3dx0 h ILE 364 CO 0.08 0.21 -0.01 0.78 0.00 0.00 0.00 178.15 179.21 3dx0 h ASN 365 N 1.01 0.00 0.13 1.72 2.35 -1.07 -2.74 115.58 116.98 3dx0 h ASN 365 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3dx0 h ASN 365 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3dx0 h ASN 365 CO -0.05 0.01 -0.59 -1.54 -1.65 0.00 0.00 177.43 173.60 3dx0 n SER 366 N -3.10 1.27 -4.30 5.81 3.41 -0.69 -4.73 113.62 111.29 3dx0 n SER 366 Ca 0.01 -1.03 -0.46 0.00 -0.26 0.00 0.00 58.87 57.14 3dx0 n SER 366 Cb 0.36 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3dx0 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dx0 s GLN 367 N -2.72 3.17 0.52 4.33 -1.52 -0.91 -4.94 119.66 117.59 3dx0 s GLN 367 Ca 0.15 -2.04 0.21 0.00 -1.95 0.00 0.00 55.36 51.73 3dx0 s GLN 367 Cb 0.18 -4.30 1.33 0.00 -0.22 0.00 0.00 33.01 30.00 3dx0 s GLN 367 CO 0.67 -1.30 2.06 0.00 -0.25 0.00 0.00 175.29 176.48 3dx0 h ALA 368 N 8.35 2.27 -0.22 6.09 0.00 -1.85 -1.82 119.26 132.09 3dx0 h ALA 368 Ca -0.12 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3dx0 h ALA 368 Cb 1.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3dx0 h ALA 368 CO 0.90 -0.35 0.21 1.12 0.00 0.00 0.00 179.25 181.12 3dx0 h HIS 369 N 0.01 0.00 -0.00 0.00 2.07 -1.93 0.24 115.15 115.54 3dx0 h HIS 369 Ca 0.14 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.51 3dx0 h HIS 369 Cb 0.55 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 3dx0 h HIS 369 CO -0.00 0.00 -0.70 0.74 -3.07 0.00 0.00 177.93 174.90 3dx0 h PHE 370 N 0.00 0.02 -6.33 6.12 0.04 -1.64 -3.48 116.94 111.68 3dx0 h PHE 370 Ca 0.10 -0.01 -0.47 0.00 2.80 0.00 0.00 57.97 60.39 3dx0 h PHE 370 Cb 0.52 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3dx0 h PHE 370 CO 0.00 0.71 -0.83 0.09 -0.60 0.00 0.00 178.31 177.69 3dx0 n ASN 371 N -3.72 -2.19 -4.23 2.17 3.02 0.07 -4.88 115.26 105.50 3dx0 n ASN 371 Ca -0.01 -0.88 -0.27 0.00 -0.03 0.00 0.00 54.58 53.40 3dx0 n ASN 371 Cb 0.68 -3.60 -0.15 0.00 -0.61 0.00 0.00 39.78 36.10 3dx0 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dx0 s VAL 372 N -3.60 1.64 -0.24 2.41 1.01 -1.26 -1.14 120.40 119.21 3dx0 s VAL 372 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3dx0 s VAL 372 Cb -0.14 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.91 3dx0 s VAL 372 CO 0.85 0.37 -0.12 -1.58 0.00 0.00 0.00 175.10 174.62 3dx0 s GLN 373 N -0.73 2.31 -0.00 2.72 2.00 -0.29 -4.38 119.66 121.28 3dx0 s GLN 373 Ca 0.08 -1.21 0.05 0.00 -2.00 0.00 0.00 55.36 52.28 3dx0 s GLN 373 Cb -0.08 -2.79 -0.03 0.00 0.80 0.00 0.00 33.01 30.91 3dx0 s GLN 373 CO 0.00 -0.51 -0.16 0.00 -0.50 0.00 0.00 175.29 174.13 3dx0 s ALA 374 N 1.17 2.64 0.17 1.58 0.00 -1.26 -0.63 121.76 125.43 3dx0 s ALA 374 Ca -0.06 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 3dx0 s ALA 374 Cb -0.19 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.14 3dx0 s ALA 374 CO -0.07 0.57 0.67 1.14 0.00 0.00 0.00 175.76 178.07 3dx0 s GLN 375 N -1.13 1.34 0.38 0.00 0.00 -0.54 -4.90 119.66 114.82 3dx0 s GLN 375 Ca 0.14 -0.57 -0.26 0.00 -0.00 0.00 0.00 55.36 54.66 3dx0 s GLN 375 Cb -0.11 0.57 -0.09 0.00 0.00 0.00 0.00 33.01 33.38 3dx0 s GLN 375 CO 0.03 -0.60 1.25 -0.06 0.00 0.00 0.00 175.29 175.91 3dx0 s PHE 376 N -3.70 2.99 0.33 9.60 0.08 -1.26 -0.62 117.98 125.39 3dx0 s PHE 376 Ca 0.04 1.48 -0.07 0.00 0.12 0.00 0.00 56.93 58.50 3dx0 s PHE 376 Cb -0.02 -3.55 0.01 0.00 -0.57 0.00 0.00 43.02 38.88 3dx0 s PHE 376 CO -0.08 -1.70 0.52 0.20 -0.10 0.00 0.00 175.22 174.07 3dx0 s GLY 377 N -0.84 1.11 0.45 4.36 0.00 -0.03 -4.78 107.32 107.59 3dx0 s GLY 377 Ca 0.55 -1.27 0.07 0.00 0.00 0.00 0.00 44.72 44.08 3dx0 s GLY 377 CO 0.46 -0.82 0.37 -0.51 0.00 0.00 0.00 173.10 172.60 3dx0 s THR 378 N -3.16 2.37 0.14 0.90 -4.23 -1.26 -4.20 115.64 106.20 3dx0 s THR 378 Ca 0.27 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 3dx0 s THR 378 Cb -0.01 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 3dx0 s THR 378 CO 0.16 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.23 3dx0 h LEU 379 N 0.99 0.48 -1.16 4.79 5.85 -1.95 -2.21 115.31 122.10 3dx0 h LEU 379 Ca -0.40 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3dx0 h LEU 379 Cb 1.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3dx0 h LEU 379 CO 0.58 0.44 0.52 -0.61 -0.34 0.00 0.00 178.44 179.04 3dx0 h GLN 380 N 0.49 1.09 -0.69 1.25 5.75 -1.96 -1.54 115.11 119.50 3dx0 h GLN 380 Ca 0.14 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3dx0 h GLN 380 Cb 0.06 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3dx0 h GLN 380 CO -0.02 0.74 0.25 0.93 -2.65 0.00 0.00 178.83 178.08 3dx0 h GLU 381 N 1.12 1.05 0.33 1.69 5.08 -1.90 0.17 114.58 122.11 3dx0 h GLU 381 Ca 0.30 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dx0 h GLU 381 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3dx0 h GLU 381 CO -0.06 0.88 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.56 3dx0 h TYR 382 N 0.99 -0.94 -0.72 4.33 3.20 -0.86 -2.36 116.97 120.61 3dx0 h TYR 382 Ca 0.23 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3dx0 h TYR 382 Cb 0.25 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3dx0 h TYR 382 CO 0.02 -0.49 0.38 0.74 -1.64 0.00 0.00 178.16 177.17 3dx0 h PHE 383 N -0.71 0.99 -0.77 -3.82 0.04 -0.91 -1.15 116.94 110.60 3dx0 h PHE 383 Ca -0.02 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3dx0 h PHE 383 Cb 0.65 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3dx0 h PHE 383 CO -0.21 0.70 0.40 -0.44 -0.60 0.00 0.00 178.31 178.16 3dx0 h ASP 384 N 1.01 0.97 -0.10 2.17 3.32 -0.56 -1.28 116.42 121.94 3dx0 h ASP 384 Ca 0.25 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 3dx0 h ASP 384 Cb 0.05 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3dx0 h ASP 384 CO -0.04 0.81 -0.52 0.00 -1.72 0.00 0.00 179.24 177.77 3dx0 h ALA 385 N 1.21 0.64 -0.48 3.45 0.00 -0.98 0.16 119.26 123.26 3dx0 h ALA 385 Ca 0.27 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dx0 h ALA 385 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3dx0 h ALA 385 CO -0.04 0.68 0.26 0.28 0.00 0.00 0.00 179.25 180.43 3dx0 h VAL 386 N 0.53 0.99 0.00 0.00 2.07 -0.93 -0.82 116.25 118.09 3dx0 h VAL 386 Ca 0.02 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3dx0 h VAL 386 Cb 1.08 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3dx0 h VAL 386 CO 0.11 0.09 -0.45 0.45 0.02 0.00 0.00 177.57 177.79 3dx0 h HIS 387 N 0.51 0.00 -0.69 1.57 -0.00 -1.00 -1.20 115.15 114.35 3dx0 h HIS 387 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3dx0 h HIS 387 Cb 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 3dx0 h HIS 387 CO -0.09 0.45 0.28 1.96 -0.00 0.00 0.00 177.93 180.53 3dx0 h GLN 388 N 0.00 1.02 -0.42 2.45 4.20 -0.50 -0.93 115.11 120.93 3dx0 h GLN 388 Ca -0.00 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3dx0 h GLN 388 Cb 1.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3dx0 h GLN 388 CO 0.06 0.85 0.14 0.00 -0.67 0.00 0.00 178.83 179.21 3dx0 h ALA 389 N 1.12 0.55 -0.14 3.87 0.00 -0.64 -1.79 119.26 122.23 3dx0 h ALA 389 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dx0 h ALA 389 Cb 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3dx0 h ALA 389 CO -0.02 0.18 -0.25 1.49 0.00 0.00 0.00 179.25 180.65 3dx0 h GLU 390 N 0.53 -0.29 -0.11 0.00 4.81 -1.07 -1.94 114.58 116.50 3dx0 h GLU 390 Ca 0.14 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3dx0 h GLU 390 Cb 0.24 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3dx0 h GLU 390 CO -0.01 -0.20 -0.08 0.00 -0.73 0.00 0.00 179.01 177.99 3dx0 h ARG 391 N -0.31 0.17 0.00 1.92 3.08 -1.03 -0.31 114.38 117.90 3dx0 h ARG 391 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3dx0 h ARG 391 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3dx0 h ARG 391 CO -0.32 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 3dx0 n ALA 392 N -2.50 2.13 -1.00 0.04 0.00 -0.69 -4.85 120.51 113.64 3dx0 n ALA 392 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 3dx0 n ALA 392 Cb 0.21 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3dx0 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dx0 n GLY 393 N 0.16 0.41 0.09 0.00 0.00 -0.13 -4.94 105.19 100.79 3dx0 n GLY 393 Ca 0.13 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3dx0 n GLY 393 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dx0 h GLN 394 N 0.23 0.00 -1.90 1.61 4.15 -1.50 -3.47 115.11 114.23 3dx0 h GLN 394 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3dx0 h GLN 394 Cb 0.00 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.49 3dx0 h GLN 394 CO 0.00 0.00 0.25 0.00 -1.93 0.00 0.00 178.83 177.15 3dx0 s ALA 395 N -3.14 -1.81 0.06 3.38 0.00 -1.26 -4.87 121.76 114.11 3dx0 s ALA 395 Ca 0.08 1.60 0.07 0.00 0.00 0.00 0.00 51.96 53.71 3dx0 s ALA 395 Cb 0.13 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3dx0 s ALA 395 CO 0.67 -0.34 -0.21 -1.83 0.00 0.00 0.00 175.76 174.05 3dx0 s GLU 396 N -0.63 1.32 0.03 0.00 -1.05 -1.26 -4.59 118.70 112.52 3dx0 s GLU 396 Ca -0.06 -0.98 0.04 0.00 -0.15 0.00 0.00 54.97 53.82 3dx0 s GLU 396 Cb -0.02 -1.46 -0.04 0.00 -0.44 0.00 0.00 34.13 32.17 3dx0 s GLU 396 CO 0.05 0.37 -0.03 -0.06 0.95 0.00 0.00 175.26 176.53 3dx0 s PHE 397 N -0.88 2.95 0.65 4.83 0.08 -1.26 -5.07 117.98 119.28 3dx0 s PHE 397 Ca 0.07 -0.01 -0.14 0.00 0.12 0.00 0.00 56.93 56.96 3dx0 s PHE 397 Cb -0.09 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3dx0 s PHE 397 CO 0.02 0.43 1.08 -1.25 -0.10 0.00 0.00 175.22 175.40 3dx0 s PRO 398 N -1.76 2.97 0.14 0.24 0.04 -1.26 -4.80 135.00 130.57 3dx0 s PRO 398 Ca 0.20 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 3dx0 s PRO 398 Cb -0.11 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3dx0 s PRO 398 CO 0.12 -1.09 0.39 0.95 0.04 0.00 0.00 177.00 177.40 3dx0 s THR 399 N -2.56 5.15 -0.06 1.26 -4.23 -1.26 -0.71 115.64 113.22 3dx0 s THR 399 Ca 0.64 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 3dx0 s THR 399 Cb -0.17 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3dx0 s THR 399 CO 0.43 0.05 0.21 -0.22 -0.54 0.00 0.00 174.62 174.55 3dx0 s LEU 400 N -2.60 1.23 0.13 4.79 0.20 -0.53 -1.43 118.68 120.45 3dx0 s LEU 400 Ca 0.41 0.28 0.03 0.00 0.69 0.00 0.00 54.13 55.53 3dx0 s LEU 400 Cb -0.12 0.76 -0.04 0.00 -0.43 0.00 0.00 46.19 46.36 3dx0 s LEU 400 CO 0.24 -0.16 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.13 3dx0 s SER 401 N -0.29 1.36 0.00 3.68 1.04 -0.59 -1.22 113.70 117.68 3dx0 s SER 401 Ca -0.04 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3dx0 s SER 401 Cb -0.03 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3dx0 s SER 401 CO 0.01 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3dx0 n GLY 402 N -0.12 0.62 2.50 7.32 0.00 -1.26 -1.42 105.19 112.82 3dx0 n GLY 402 Ca -0.11 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 3dx0 n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx0 n ASP 403 N 0.75 2.35 -2.53 1.61 5.75 -1.26 -4.37 116.55 118.85 3dx0 n ASP 403 Ca 0.00 -2.56 -0.18 0.00 -0.01 0.00 0.00 54.79 52.04 3dx0 n ASP 403 Cb 0.00 0.42 0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3dx0 n ASP 403 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3dx0 n PHE 404 N -0.81 2.36 -4.36 2.11 3.72 -0.39 -4.91 117.46 115.18 3dx0 n PHE 404 Ca -0.11 -2.85 -0.28 0.00 -0.05 0.00 0.00 57.45 54.16 3dx0 n PHE 404 Cb 0.45 -0.23 -0.12 0.00 -0.94 0.00 0.00 39.48 38.65 3dx0 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3dx0 s PHE 405 N -3.41 2.42 -0.12 1.38 0.08 -1.26 -2.72 117.98 114.35 3dx0 s PHE 405 Ca 0.39 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 56.99 3dx0 s PHE 405 Cb 0.42 -1.24 -0.05 0.00 -0.57 0.00 0.00 43.02 41.58 3dx0 s PHE 405 CO -0.07 0.44 0.30 0.99 -0.10 0.00 0.00 175.22 176.78 3dx0 s THR 406 N -1.40 5.27 0.36 0.64 2.01 -1.26 -5.09 115.64 116.16 3dx0 s THR 406 Ca 0.19 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 3dx0 s THR 406 Cb -0.09 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 3dx0 s THR 406 CO 0.10 0.45 1.31 -0.47 -0.69 0.00 0.00 174.62 175.32 3dx0 s TYR 407 N -0.00 2.95 -0.04 4.92 5.04 -1.26 -4.79 117.35 124.17 3dx0 s TYR 407 Ca 0.18 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 3dx0 s TYR 407 Cb -0.14 -3.69 0.01 0.00 0.35 0.00 0.00 41.96 38.49 3dx0 s TYR 407 CO 0.06 -1.99 -0.08 0.00 -1.34 0.00 0.00 175.55 172.20 3dx0 s ALA 408 N -1.18 0.83 -0.27 3.97 0.00 -1.26 -0.51 121.76 123.33 3dx0 s ALA 408 Ca 0.52 -0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.48 3dx0 s ALA 408 Cb -0.39 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3dx0 s ALA 408 CO 0.52 0.08 0.93 -0.40 0.00 0.00 0.00 175.76 176.88 3dx0 n ASP 409 N 3.66 0.61 -3.56 0.00 5.75 -1.22 -2.70 116.55 119.10 3dx0 n ASP 409 Ca -0.22 0.15 -0.11 0.00 -0.01 0.00 0.00 54.79 54.61 3dx0 n ASP 409 Cb 0.53 0.84 -0.05 0.00 -1.03 0.00 0.00 41.12 41.41 3dx0 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dx0 s ARG 410 N -3.36 0.68 4.99 0.11 1.70 -1.26 -4.78 118.95 117.03 3dx0 s ARG 410 Ca -0.01 0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 3dx0 s ARG 410 Cb 0.12 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3dx0 s ARG 410 CO 0.82 -0.23 0.00 0.45 -1.08 0.00 0.00 175.30 175.25 3dx0 n SER 411 N 0.53 0.00 -1.49 -2.89 2.88 -1.26 -0.90 113.62 110.49 3dx0 n SER 411 Ca -0.11 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.45 3dx0 n SER 411 Cb 0.59 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.34 3dx0 n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dx0 n ASP 412 N 3.17 4.32 -4.50 -3.46 5.75 -1.26 -4.89 116.55 115.67 3dx0 n ASP 412 Ca 0.00 -3.19 -0.43 0.00 -0.01 0.00 0.00 54.79 51.16 3dx0 n ASP 412 Cb 0.00 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.42 3dx0 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3dx0 s ASN 413 N -1.52 6.77 -0.05 -1.12 0.02 -0.08 -4.97 114.94 113.99 3dx0 s ASN 413 Ca 0.49 -2.28 -0.12 0.00 -1.02 0.00 0.00 52.86 49.94 3dx0 s ASN 413 Cb 0.40 -2.47 -0.05 0.00 0.02 0.00 0.00 41.25 39.15 3dx0 s ASN 413 CO 0.10 -1.08 0.30 -0.31 0.02 0.00 0.00 177.10 176.14 3dx0 s TYR 414 N 3.11 3.67 -1.13 2.20 1.51 -1.26 -3.41 117.35 122.04 3dx0 s TYR 414 Ca 0.42 0.80 -0.02 0.00 -1.01 0.00 0.00 57.07 57.26 3dx0 s TYR 414 Cb -0.02 -2.16 0.26 0.00 -0.11 0.00 0.00 41.96 39.93 3dx0 s TYR 414 CO -0.04 0.66 2.00 0.91 -1.11 0.00 0.00 175.55 177.98 3dx0 n TRP 415 N 1.97 2.71 1.06 2.71 7.02 0.33 -2.90 117.44 130.33 3dx0 n TRP 415 Ca -0.16 -2.65 0.12 0.00 -1.02 0.00 0.00 57.50 53.79 3dx0 n TRP 415 Cb 0.53 -1.41 0.09 0.00 -2.42 0.00 0.00 31.31 28.11 3dx0 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3dx0 n SER 416 N 0.54 2.14 -0.06 -0.99 3.41 -1.23 -4.38 113.62 113.06 3dx0 n SER 416 Ca 0.52 -1.57 -0.09 0.00 -0.26 0.00 0.00 58.87 57.47 3dx0 n SER 416 Cb 0.26 0.29 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 3dx0 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3dx0 h GLY 417 N 4.82 0.78 1.32 5.00 0.00 -1.11 -2.89 103.07 110.99 3dx0 h GLY 417 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3dx0 h GLY 417 CO 0.00 0.69 0.00 1.58 0.00 0.00 0.00 176.54 178.81 3dx0 n TYR 418 N -4.05 0.00 0.49 5.60 4.11 -1.03 -1.06 117.16 121.21 3dx0 n TYR 418 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.00 3dx0 n TYR 418 Cb 0.51 -0.16 0.44 0.00 -0.00 0.00 0.00 39.34 40.13 3dx0 n TYR 418 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3dx0 n TYR 419 N -1.16 0.59 0.00 -3.48 4.01 -1.09 -3.96 117.16 112.07 3dx0 n TYR 419 Ca 0.11 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3dx0 n TYR 419 Cb 0.11 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 3dx0 n TYR 419 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3dx0 n THR 420 N -2.03 0.00 -1.62 -0.72 -1.04 -0.23 -2.30 114.28 106.35 3dx0 n THR 420 Ca 0.03 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.59 3dx0 n THR 420 Cb 0.25 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.60 3dx0 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3dx0 n SER 421 N -1.10 1.78 -3.53 8.00 7.64 -0.87 -2.73 113.62 122.82 3dx0 n SER 421 Ca 0.00 1.17 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 3dx0 n SER 421 Cb 0.14 -1.32 0.05 0.00 -1.01 0.00 0.00 64.21 62.07 3dx0 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dx0 n ARG 422 N 1.22 -1.72 0.26 1.43 3.00 -1.26 -4.00 116.66 115.59 3dx0 n ARG 422 Ca 0.11 0.61 0.14 0.00 -0.01 0.00 0.00 57.85 58.70 3dx0 n ARG 422 Cb 0.31 -4.78 0.64 0.00 0.00 0.00 0.00 32.46 28.63 3dx0 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3dx0 h PRO 423 N -1.60 0.00 -0.54 5.56 0.13 -1.84 -2.46 132.00 131.25 3dx0 h PRO 423 Ca -0.64 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3dx0 h PRO 423 Cb 1.34 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 3dx0 h PRO 423 CO 0.47 0.10 0.20 -0.92 -0.23 0.00 0.00 178.00 177.62 3dx0 h TYR 424 N 0.00 0.36 0.00 1.56 3.20 -1.90 -1.23 116.97 118.96 3dx0 h TYR 424 Ca -0.00 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.72 3dx0 h TYR 424 Cb 0.54 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3dx0 h TYR 424 CO 0.00 0.11 -0.84 0.45 -1.64 0.00 0.00 178.16 176.24 3dx0 h HIS 425 N 0.39 0.00 -0.83 -3.82 3.86 -1.82 -0.44 115.15 112.50 3dx0 h HIS 425 Ca 0.26 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.52 3dx0 h HIS 425 Cb 0.29 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 3dx0 h HIS 425 CO -0.16 0.84 0.52 0.87 0.86 0.00 0.00 177.93 180.87 3dx0 h LYS 426 N 0.00 0.96 -0.16 2.45 1.57 -1.29 -0.25 116.57 119.86 3dx0 h LYS 426 Ca -0.01 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 3dx0 h LYS 426 Cb 1.64 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.74 3dx0 h LYS 426 CO 0.11 0.64 -0.71 -0.09 -0.57 0.00 0.00 179.45 178.82 3dx0 h ARG 427 N 0.99 0.77 -0.93 3.15 9.65 -0.98 -3.01 114.38 124.03 3dx0 h ARG 427 Ca 0.34 -0.61 0.12 0.00 -1.10 0.00 0.00 59.98 58.73 3dx0 h ARG 427 Cb 0.08 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.71 3dx0 h ARG 427 CO -0.14 1.22 0.59 1.98 2.80 0.00 0.00 179.97 186.42 3dx0 h MET 428 N 0.49 0.84 -0.80 0.20 4.05 -0.87 -1.18 114.93 117.66 3dx0 h MET 428 Ca -0.04 -0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.41 3dx0 h MET 428 Cb 1.34 -0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 3dx0 h MET 428 CO 0.15 0.55 0.46 0.22 0.23 0.00 0.00 176.91 178.52 3dx0 h ASP 429 N 0.86 0.66 0.57 1.39 3.58 -0.90 0.30 116.42 122.88 3dx0 h ASP 429 Ca 0.45 0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.76 3dx0 h ASP 429 Cb 0.52 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3dx0 h ASP 429 CO -0.21 0.39 -0.82 0.03 -2.88 0.00 0.00 179.24 175.74 3dx0 h ARG 430 N 0.78 0.18 0.03 0.28 2.47 -1.24 0.22 114.38 117.10 3dx0 h ARG 430 Ca 0.38 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3dx0 h ARG 430 Cb 0.32 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3dx0 h ARG 430 CO -0.23 0.90 -0.02 0.28 0.56 0.00 0.00 179.97 181.46 3dx0 h VAL 431 N 0.11 1.13 -0.26 2.04 2.07 -0.91 -2.80 116.25 117.63 3dx0 h VAL 431 Ca -0.03 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3dx0 h VAL 431 Cb 1.43 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3dx0 h VAL 431 CO 0.12 0.13 -0.10 0.25 0.02 0.00 0.00 177.57 178.00 3dx0 h LEU 432 N -0.27 0.41 -0.41 2.57 5.85 -0.88 -1.18 115.31 121.39 3dx0 h LEU 432 Ca -0.00 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3dx0 h LEU 432 Cb 0.25 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3dx0 h LEU 432 CO 0.01 0.55 -0.06 -0.03 -0.34 0.00 0.00 178.44 178.56 3dx0 h MET 433 N 0.40 0.04 -0.29 1.25 4.05 -0.88 0.14 114.93 119.64 3dx0 h MET 433 Ca 0.08 -0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.32 3dx0 h MET 433 Cb 0.42 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3dx0 h MET 433 CO 0.02 0.03 -0.51 1.25 0.23 0.00 0.00 176.91 177.93 3dx0 h HIS 434 N 0.04 1.03 -0.22 1.39 -0.00 -1.15 -2.44 115.15 113.81 3dx0 h HIS 434 Ca 0.20 -0.35 -0.10 0.00 -0.00 0.00 0.00 60.37 60.12 3dx0 h HIS 434 Cb 0.30 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3dx0 h HIS 434 CO -0.32 1.17 -0.29 1.88 -0.00 0.00 0.00 177.93 180.36 3dx0 h TYR 435 N 0.65 0.49 -0.16 5.26 -1.99 -0.71 0.47 116.97 120.99 3dx0 h TYR 435 Ca 0.02 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 3dx0 h TYR 435 Cb 1.10 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 3dx0 h TYR 435 CO 0.07 0.69 0.00 0.28 -0.00 0.00 0.00 178.16 179.20 3dx0 h VAL 436 N 0.38 1.25 -0.38 -2.88 2.07 -0.69 0.11 116.25 116.10 3dx0 h VAL 436 Ca 0.05 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3dx0 h VAL 436 Cb 0.71 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3dx0 h VAL 436 CO 0.05 0.24 0.09 -0.09 0.02 0.00 0.00 177.57 177.89 3dx0 h ARG 437 N 0.03 0.22 -0.45 1.57 2.43 -1.13 -0.54 114.38 116.51 3dx0 h ARG 437 Ca 0.05 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3dx0 h ARG 437 Cb 0.36 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3dx0 h ARG 437 CO 0.01 0.14 -0.19 0.00 -1.51 0.00 0.00 179.97 178.42 3dx0 h ALA 438 N 1.28 0.82 -0.30 2.80 0.00 -0.77 -1.15 119.26 121.95 3dx0 h ALA 438 Ca 0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3dx0 h ALA 438 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dx0 h ALA 438 CO -0.22 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3dx0 h ALA 439 N 1.01 0.40 -0.70 0.00 0.00 -0.78 0.13 119.26 119.32 3dx0 h ALA 439 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dx0 h ALA 439 Cb 0.72 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3dx0 h ALA 439 CO 0.06 0.13 0.24 0.93 0.00 0.00 0.00 179.25 180.60 3dx0 h GLU 440 N 0.32 1.07 0.01 0.00 5.08 -1.00 -2.42 114.58 117.65 3dx0 h GLU 440 Ca 0.09 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dx0 h GLU 440 Cb 0.40 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3dx0 h GLU 440 CO 0.01 0.90 -0.01 1.98 -1.00 0.00 0.00 179.01 180.90 3dx0 h MET 441 N 1.04 -0.02 -0.94 2.33 4.05 -1.09 -1.49 114.93 118.80 3dx0 h MET 441 Ca 0.23 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.69 3dx0 h MET 441 Cb 0.26 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3dx0 h MET 441 CO -0.01 0.52 0.62 -0.07 0.23 0.00 0.00 176.91 178.20 3dx0 h LEU 442 N -0.57 1.01 0.00 3.39 3.38 -0.75 -2.21 115.31 119.55 3dx0 h LEU 442 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dx0 h LEU 442 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dx0 h LEU 442 CO 0.00 0.69 -0.34 0.77 0.09 0.00 0.00 178.44 179.65 3dx0 h SER 443 N 1.17 0.00 0.33 -0.43 4.64 -1.48 -3.31 113.55 114.47 3dx0 h SER 443 Ca 0.38 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 3dx0 h SER 443 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dx0 h SER 443 CO -0.12 0.04 -0.13 0.00 -0.87 0.00 0.00 176.83 175.75 3dx0 h ALA 444 N 2.35 1.35 0.00 5.18 0.00 -0.61 -3.11 119.26 124.42 3dx0 h ALA 444 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dx0 h ALA 444 Cb 0.83 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dx0 h ALA 444 CO 0.00 0.16 -0.12 -1.49 0.00 0.00 0.00 179.25 177.80 3dx0 h TRP 445 N 0.00 0.00 -2.34 0.00 4.06 -1.65 -3.44 115.95 112.57 3dx0 h TRP 445 Ca -0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 3dx0 h TRP 445 Cb 0.32 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.35 3dx0 h TRP 445 CO 0.00 0.12 -0.72 -1.01 -3.56 0.00 0.00 178.44 173.26 3dx0 s HIS 446 N -4.58 2.15 0.04 0.49 3.76 -1.18 -5.09 115.29 110.89 3dx0 s HIS 446 Ca -0.04 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.20 3dx0 s HIS 446 Cb 0.15 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 3dx0 s HIS 446 CO 0.64 0.55 0.58 0.45 -0.85 0.00 0.00 174.74 176.11 3dx0 s SER 447 N -3.48 7.03 -0.05 1.40 0.15 -1.26 -4.99 113.70 112.50 3dx0 s SER 447 Ca 0.29 1.22 0.05 0.00 0.70 0.00 0.00 55.95 58.21 3dx0 s SER 447 Cb -0.01 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 3dx0 s SER 447 CO 0.13 0.21 -0.17 0.26 1.20 0.00 0.00 173.24 174.87 3dx0 s TRP 448 N -0.77 2.61 0.36 3.44 0.52 -1.26 -5.04 118.94 118.79 3dx0 s TRP 448 Ca 0.30 -0.26 -0.27 0.00 0.02 0.00 0.00 56.10 55.88 3dx0 s TRP 448 Cb -0.19 -1.60 -0.12 0.00 -1.15 0.00 0.00 33.47 30.41 3dx0 s TRP 448 CO 0.18 0.11 1.24 -3.47 0.02 0.00 0.00 176.95 175.03 3dx0 n ASP 449 N 2.40 2.50 -0.25 2.95 -0.08 -1.26 -4.36 116.55 118.45 3dx0 n ASP 449 Ca -0.17 1.18 0.24 0.00 -1.51 0.00 0.00 54.79 54.52 3dx0 n ASP 449 Cb 0.52 -1.46 0.59 0.00 2.34 0.00 0.00 41.12 43.10 3dx0 n ASP 449 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3dx0 h GLY 450 N 2.34 0.65 2.00 0.27 0.00 -2.01 -0.05 103.07 106.27 3dx0 h GLY 450 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3dx0 h GLY 450 CO 0.61 -0.04 0.00 1.03 0.00 0.00 0.00 176.54 178.15 3dx0 n MET 451 N -4.45 0.16 0.13 4.80 2.81 -1.26 -1.87 117.12 117.44 3dx0 n MET 451 Ca 0.21 0.47 0.13 0.00 -1.81 0.00 0.00 57.70 56.69 3dx0 n MET 451 Cb 0.86 -1.85 0.44 0.00 -0.71 0.00 0.00 33.22 31.95 3dx0 n MET 451 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dx0 h ALA 452 N 2.21 1.00 -3.55 3.04 0.00 -1.36 -3.47 119.26 117.13 3dx0 h ALA 452 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 3dx0 h ALA 452 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dx0 h ALA 452 CO 0.00 0.00 -0.46 0.54 0.00 0.00 0.00 179.25 179.33 3dx0 n ARG 453 N -2.35 -2.24 0.05 0.00 1.74 -0.78 -4.90 116.66 108.18 3dx0 n ARG 453 Ca 0.04 0.82 -0.13 0.00 -0.77 0.00 0.00 57.85 57.81 3dx0 n ARG 453 Cb 0.36 -5.48 -0.09 0.00 -1.02 0.00 0.00 32.46 26.22 3dx0 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dx0 h ILE 454 N -0.16 1.09 -0.95 0.55 1.08 -1.84 -2.15 117.51 115.13 3dx0 h ILE 454 Ca -0.42 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3dx0 h ILE 454 Cb 1.31 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 36.63 3dx0 h ILE 454 CO 0.49 0.20 0.58 -0.33 -0.69 0.00 0.00 178.15 178.40 3dx0 h GLU 455 N -0.55 1.28 -0.10 2.37 3.07 -1.93 -1.06 114.58 117.66 3dx0 h GLU 455 Ca -0.01 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3dx0 h GLU 455 Cb 0.44 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3dx0 h GLU 455 CO 0.02 0.88 0.06 1.49 -1.40 0.00 0.00 179.01 180.07 3dx0 h GLU 456 N 1.30 0.13 -0.37 2.33 4.81 -1.95 -0.15 114.58 120.68 3dx0 h GLU 456 Ca 0.34 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 3dx0 h GLU 456 Cb -0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3dx0 h GLU 456 CO -0.07 0.09 -0.32 0.00 -0.73 0.00 0.00 179.01 177.99 3dx0 h ARG 457 N 0.13 0.81 -0.55 1.92 -0.00 -0.95 -2.26 114.38 113.48 3dx0 h ARG 457 Ca 0.04 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.98 59.04 3dx0 h ARG 457 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.93 3dx0 h ARG 457 CO -0.01 1.02 -0.01 -0.07 0.00 0.00 0.00 179.97 180.90 3dx0 h LEU 458 N 0.68 0.94 -0.54 3.04 3.38 -1.12 -1.56 115.31 120.13 3dx0 h LEU 458 Ca 0.07 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3dx0 h LEU 458 Cb 0.87 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3dx0 h LEU 458 CO 0.08 1.00 0.01 -0.08 0.09 0.00 0.00 178.44 179.54 3dx0 h GLU 459 N 0.88 0.96 -0.38 1.13 4.81 -0.87 0.23 114.58 121.35 3dx0 h GLU 459 Ca 0.16 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3dx0 h GLU 459 Cb 0.53 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3dx0 h GLU 459 CO 0.03 0.96 0.21 0.37 -0.73 0.00 0.00 179.01 179.85 3dx0 h GLN 460 N 0.83 0.53 -0.10 1.92 4.15 -1.26 -0.92 115.11 120.27 3dx0 h GLN 460 Ca 0.16 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3dx0 h GLN 460 Cb 0.52 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3dx0 h GLN 460 CO 0.03 0.43 0.04 0.00 -1.93 0.00 0.00 178.83 177.40 3dx0 h ALA 461 N 1.07 0.12 -0.84 3.38 0.00 -0.94 -0.23 119.26 121.81 3dx0 h ALA 461 Ca 0.13 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3dx0 h ALA 461 Cb 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3dx0 h ALA 461 CO -0.02 -0.29 0.50 0.00 0.00 0.00 0.00 179.25 179.44 3dx0 h ARG 462 N 0.00 0.84 -0.13 0.00 3.08 -0.87 -2.14 114.38 115.17 3dx0 h ARG 462 Ca 0.03 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 3dx0 h ARG 462 Cb 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3dx0 h ARG 462 CO -0.00 0.56 -0.73 0.00 -1.07 0.00 0.00 179.97 178.72 3dx0 h ARG 463 N 0.87 0.61 -0.29 0.04 3.08 -0.65 0.70 114.38 118.73 3dx0 h ARG 463 Ca 0.39 -0.48 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 3dx0 h ARG 463 Cb 0.30 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3dx0 h ARG 463 CO -0.22 1.10 -0.51 0.93 -1.07 0.00 0.00 179.97 180.20 3dx0 h GLU 464 N 0.42 0.83 -0.69 0.04 4.39 -0.87 -0.14 114.58 118.57 3dx0 h GLU 464 Ca -0.04 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 3dx0 h GLU 464 Cb 1.33 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 3dx0 h GLU 464 CO 0.14 1.14 0.27 1.25 -1.16 0.00 0.00 179.01 180.65 3dx0 h LEU 465 N 0.65 0.96 -0.54 1.33 5.85 -1.38 -2.66 115.31 119.52 3dx0 h LEU 465 Ca 0.02 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3dx0 h LEU 465 Cb 1.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3dx0 h LEU 465 CO 0.11 0.88 0.24 0.28 -0.34 0.00 0.00 178.44 179.61 3dx0 h SER 466 N 0.99 0.73 -0.91 1.25 0.02 -0.73 -2.23 113.55 112.67 3dx0 h SER 466 Ca 0.23 -0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 3dx0 h SER 466 Cb 0.22 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 3dx0 h SER 466 CO -0.02 0.67 0.56 0.25 -1.14 0.00 0.00 176.83 177.15 3dx0 h LEU 467 N 0.73 0.84 -1.25 5.07 5.85 -0.94 -1.99 115.31 123.63 3dx0 h LEU 467 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3dx0 h LEU 467 Cb 0.15 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3dx0 h LEU 467 CO -0.02 0.50 0.00 0.15 -0.34 0.00 0.00 178.44 178.73 3dx0 h PHE 468 N 0.95 0.00 0.00 1.25 3.57 -1.04 -1.28 116.94 120.40 3dx0 h PHE 468 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 3dx0 h PHE 468 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3dx0 h PHE 468 CO -0.03 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.09 3dx0 n GLN 469 N -2.73 0.11 -1.45 1.11 1.13 -0.75 -0.93 117.38 113.87 3dx0 n GLN 469 Ca 0.01 0.46 -0.39 0.00 -1.94 0.00 0.00 57.00 55.15 3dx0 n GLN 469 Cb 0.25 -1.77 0.03 0.00 0.11 0.00 0.00 30.24 28.87 3dx0 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3dx0 n HIS 470 N -1.99 -0.84 1.23 1.08 -0.00 -0.48 -0.75 115.22 113.46 3dx0 n HIS 470 Ca 0.01 0.46 0.04 0.00 -0.00 0.00 0.00 57.72 58.23 3dx0 n HIS 470 Cb 0.13 -1.94 0.27 0.00 -0.00 0.00 0.00 29.99 28.45 3dx0 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3dx0 n HIS 471 N -1.59 0.00 -0.03 1.57 1.44 -1.16 -0.99 115.22 114.47 3dx0 n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3dx0 n HIS 471 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 3dx0 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3dx0 n ASP 472 N -0.73 1.86 0.00 4.39 8.00 -1.26 -4.67 116.55 124.13 3dx0 n ASP 472 Ca 0.07 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.68 3dx0 n ASP 472 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3dx0 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx0 n GLY 473 N -0.44 0.38 0.29 0.44 0.00 -0.16 -3.18 105.19 102.52 3dx0 n GLY 473 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3dx0 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dx0 h ILE 474 N 0.00 0.62 0.00 -0.61 2.10 -1.04 -0.71 117.51 117.87 3dx0 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3dx0 h ILE 474 Cb 0.00 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3dx0 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3dx0 h THR 475 N 0.00 0.00 -2.37 2.19 1.35 -1.83 -3.43 112.91 108.83 3dx0 h THR 475 Ca 0.01 -0.26 -0.23 0.00 -0.55 0.00 0.00 66.41 65.38 3dx0 h THR 475 Cb 0.03 1.26 0.02 0.00 -1.73 0.00 0.00 68.15 67.73 3dx0 h THR 475 CO -0.00 0.00 -0.32 0.61 -0.25 0.00 0.00 175.52 175.56 3dx0 n GLY 476 N -0.51 -0.02 0.87 5.82 0.00 -0.27 -4.37 105.19 106.71 3dx0 n GLY 476 Ca -0.01 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.77 3dx0 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dx0 n THR 477 N -3.96 2.16 -3.51 2.61 -2.24 -1.25 -4.58 114.28 103.52 3dx0 n THR 477 Ca -0.09 -1.79 -0.22 0.00 -2.27 0.00 0.00 64.05 59.69 3dx0 n THR 477 Cb 0.58 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3dx0 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx0 s ALA 478 N -2.65 3.89 0.79 6.98 0.00 -1.19 -4.92 121.76 124.66 3dx0 s ALA 478 Ca 0.40 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 3dx0 s ALA 478 Cb 0.32 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.60 3dx0 s ALA 478 CO 0.10 -0.01 1.21 0.15 0.00 0.00 0.00 175.76 177.21 3dx0 s LYS 479 N -4.23 1.74 0.23 0.00 1.02 -0.16 -4.71 119.74 113.63 3dx0 s LYS 479 Ca 0.41 1.78 -0.08 0.00 0.02 0.00 0.00 55.97 58.09 3dx0 s LYS 479 Cb -0.09 -1.79 0.38 0.00 -0.52 0.00 0.00 37.83 35.81 3dx0 s LYS 479 CO 0.33 -2.14 1.67 1.15 -0.92 0.00 0.00 175.35 175.44 3dx0 h THR 480 N -0.75 0.48 0.00 2.17 2.02 -1.95 0.20 112.91 115.08 3dx0 h THR 480 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3dx0 h THR 480 Cb 1.30 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3dx0 h THR 480 CO 0.47 0.03 0.00 1.12 0.37 0.00 0.00 175.52 177.51 3dx0 h HIS 481 N 0.17 0.00 0.15 3.16 2.07 -1.95 -1.85 115.15 116.91 3dx0 h HIS 481 Ca 0.37 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.64 3dx0 h HIS 481 Cb 0.62 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.63 3dx0 h HIS 481 CO -0.33 0.00 -1.09 0.28 -3.07 0.00 0.00 177.93 173.72 3dx0 h VAL 482 N 0.00 1.38 -0.76 6.12 2.07 -1.34 -2.42 116.25 121.30 3dx0 h VAL 482 Ca 0.00 -2.51 0.11 0.00 0.82 0.00 0.00 66.70 65.13 3dx0 h VAL 482 Cb 0.55 2.96 -0.08 0.00 -1.52 0.00 0.00 31.29 33.19 3dx0 h VAL 482 CO 0.00 0.74 0.37 0.58 0.02 0.00 0.00 177.57 179.28 3dx0 h VAL 483 N -0.02 0.78 -0.62 2.57 2.07 -0.87 -0.22 116.25 119.94 3dx0 h VAL 483 Ca -0.18 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3dx0 h VAL 483 Cb 1.82 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3dx0 h VAL 483 CO 0.21 0.11 0.36 0.58 0.02 0.00 0.00 177.57 178.84 3dx0 h VAL 484 N 0.58 1.02 -0.40 2.57 2.07 -1.31 -0.08 116.25 120.70 3dx0 h VAL 484 Ca 0.39 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3dx0 h VAL 484 Cb 0.48 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3dx0 h VAL 484 CO -0.32 0.13 0.23 -0.78 0.02 0.00 0.00 177.57 176.85 3dx0 h ASP 485 N 0.69 0.49 -0.69 0.57 3.58 -0.79 0.01 116.42 120.28 3dx0 h ASP 485 Ca 0.26 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 3dx0 h ASP 485 Cb 0.10 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3dx0 h ASP 485 CO -0.14 0.42 0.30 1.88 -2.88 0.00 0.00 179.24 178.82 3dx0 h TYR 486 N 0.52 1.05 -0.16 0.28 0.05 -0.62 -0.84 116.97 117.26 3dx0 h TYR 486 Ca 0.14 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3dx0 h TYR 486 Cb 0.03 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 3dx0 h TYR 486 CO -0.03 0.79 0.05 1.49 -1.05 0.00 0.00 178.16 179.41 3dx0 h GLU 487 N 1.02 0.25 -0.69 4.88 4.81 -0.68 -0.22 114.58 123.94 3dx0 h GLU 487 Ca 0.24 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3dx0 h GLU 487 Cb 0.17 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3dx0 h GLU 487 CO -0.02 0.37 0.45 1.96 -0.73 0.00 0.00 179.01 181.03 3dx0 h GLN 488 N 0.08 0.89 -0.43 1.92 4.20 -0.81 0.44 115.11 121.39 3dx0 h GLN 488 Ca 0.05 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3dx0 h GLN 488 Cb 0.22 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3dx0 h GLN 488 CO -0.00 0.59 0.29 0.00 -0.67 0.00 0.00 178.83 179.03 3dx0 h ARG 489 N 0.91 0.57 -0.30 1.46 3.08 -1.05 -1.62 114.38 117.43 3dx0 h ARG 489 Ca 0.26 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 3dx0 h ARG 489 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3dx0 h ARG 489 CO -0.07 0.38 -0.10 0.52 -1.07 0.00 0.00 179.97 179.62 3dx0 h MET 490 N 0.58 0.50 -0.31 0.04 2.86 -0.50 -1.32 114.93 116.78 3dx0 h MET 490 Ca 0.16 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3dx0 h MET 490 Cb -0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3dx0 h MET 490 CO -0.04 0.61 0.10 0.37 1.06 0.00 0.00 176.91 179.01 3dx0 h GLN 491 N 0.47 0.48 -0.97 1.72 5.75 -0.63 0.68 115.11 122.60 3dx0 h GLN 491 Ca 0.09 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3dx0 h GLN 491 Cb 0.46 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 3dx0 h GLN 491 CO 0.03 0.52 0.64 0.93 -2.65 0.00 0.00 178.83 178.29 3dx0 h GLU 492 N 0.34 1.19 -0.71 1.69 4.39 -1.15 -2.06 114.58 118.27 3dx0 h GLU 492 Ca 0.10 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3dx0 h GLU 492 Cb 0.25 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3dx0 h GLU 492 CO -0.00 0.79 0.30 0.00 -1.16 0.00 0.00 179.01 178.94 3dx0 h ALA 493 N 1.43 0.92 -0.66 3.43 0.00 -0.46 -0.75 119.26 123.17 3dx0 h ALA 493 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dx0 h ALA 493 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3dx0 h ALA 493 CO -0.11 0.53 0.39 -0.07 0.00 0.00 0.00 179.25 179.99 3dx0 h LEU 494 N 1.01 0.80 -0.83 0.00 3.38 -0.47 -0.51 115.31 118.69 3dx0 h LEU 494 Ca 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3dx0 h LEU 494 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dx0 h LEU 494 CO -0.02 0.63 0.19 0.11 0.09 0.00 0.00 178.44 179.44 3dx0 h LYS 495 N 0.89 1.06 -0.23 1.13 1.57 -1.00 0.30 116.57 120.29 3dx0 h LYS 495 Ca 0.23 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dx0 h LYS 495 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3dx0 h LYS 495 CO -0.04 0.92 0.13 0.00 -0.57 0.00 0.00 179.45 179.89 3dx0 h ALA 496 N 1.19 0.28 -0.36 3.86 0.00 -0.70 -1.30 119.26 122.23 3dx0 h ALA 496 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dx0 h ALA 496 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dx0 h ALA 496 CO -0.00 -0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.20 3dx0 h GLN 498 N 0.44 0.41 -0.24 0.00 4.15 -0.74 0.24 115.11 119.37 3dx0 h GLN 498 Ca 0.14 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3dx0 h GLN 498 Cb -0.01 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3dx0 h GLN 498 CO -0.06 0.27 0.04 1.98 -1.93 0.00 0.00 178.83 179.14 3dx0 h MET 499 N 0.42 0.13 -0.46 1.69 4.05 -1.02 -0.13 114.93 119.61 3dx0 h MET 499 Ca 0.17 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.53 3dx0 h MET 499 Cb 0.08 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3dx0 h MET 499 CO -0.12 0.08 0.08 0.28 0.23 0.00 0.00 176.91 177.46 3dx0 h VAL 500 N 0.13 1.25 -0.18 -5.77 2.07 -1.15 -1.26 116.25 111.34 3dx0 h VAL 500 Ca 0.11 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3dx0 h VAL 500 Cb 0.11 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3dx0 h VAL 500 CO -0.15 0.32 0.02 0.24 0.02 0.00 0.00 177.57 178.01 3dx0 h MET 501 N 0.63 0.08 -0.13 1.57 2.07 -0.64 -0.97 114.93 117.52 3dx0 h MET 501 Ca 0.14 -0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.56 3dx0 h MET 501 Cb 0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3dx0 h MET 501 CO 0.01 0.05 -0.74 -0.56 1.07 0.00 0.00 176.91 176.74 3dx0 h GLN 502 N 0.08 0.63 -0.90 1.72 -0.00 -0.86 0.21 115.11 115.99 3dx0 h GLN 502 Ca 0.08 -0.50 0.03 0.00 -0.00 0.00 0.00 58.65 58.26 3dx0 h GLN 502 Cb 0.09 0.10 -0.05 0.00 -0.00 0.00 0.00 27.48 27.62 3dx0 h GLN 502 CO -0.13 1.12 0.58 1.96 -0.00 0.00 0.00 178.83 182.37 3dx0 h GLN 503 N 0.44 1.11 -0.47 0.06 1.08 -1.19 -1.91 115.11 114.23 3dx0 h GLN 503 Ca -0.04 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 3dx0 h GLN 503 Cb 1.34 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 3dx0 h GLN 503 CO 0.14 0.73 0.11 0.77 -0.95 0.00 0.00 178.83 179.63 3dx0 h SER 504 N 1.14 0.72 -0.37 1.46 0.02 -0.50 -2.08 113.55 113.94 3dx0 h SER 504 Ca 0.35 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3dx0 h SER 504 Cb -0.02 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3dx0 h SER 504 CO -0.11 0.77 0.21 0.58 -1.14 0.00 0.00 176.83 177.14 3dx0 h VAL 505 N 0.63 1.02 -0.72 2.27 2.07 -0.77 -0.04 116.25 120.72 3dx0 h VAL 505 Ca 0.15 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3dx0 h VAL 505 Cb 0.34 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3dx0 h VAL 505 CO 0.00 0.08 0.45 0.22 0.02 0.00 0.00 177.57 178.34 3dx0 h TYR 506 N 0.42 0.84 -0.47 1.57 3.20 -1.24 -1.28 116.97 120.01 3dx0 h TYR 506 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 3dx0 h TYR 506 Cb 0.02 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3dx0 h TYR 506 CO -0.08 0.48 -0.17 -0.09 -1.64 0.00 0.00 178.16 176.66 3dx0 h ARG 507 N 0.88 0.94 0.00 1.82 2.43 -1.05 -2.73 114.38 116.67 3dx0 h ARG 507 Ca 0.29 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 3dx0 h ARG 507 Cb 0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3dx0 h ARG 507 CO -0.11 1.05 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.14 3dx0 h LEU 508 N 0.79 0.00 -2.92 3.80 3.38 -0.62 -3.29 115.31 116.46 3dx0 h LEU 508 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dx0 h LEU 508 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dx0 h LEU 508 CO 0.06 0.19 -0.03 0.18 0.09 0.00 0.00 178.44 178.93 3dx0 n LEU 509 N -3.33 2.14 -4.37 1.67 4.77 -0.52 -4.88 117.00 112.48 3dx0 n LEU 509 Ca 0.00 -2.79 -0.32 0.00 -0.03 0.00 0.00 56.01 52.87 3dx0 n LEU 509 Cb 0.42 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3dx0 n LEU 509 CO 0.33 0.65 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.65 3dx0 s THR 510 N -2.42 2.70 -0.13 -5.08 2.01 -1.03 0.18 115.64 111.87 3dx0 s THR 510 Ca 0.25 -0.83 -0.39 0.00 0.31 0.00 0.00 61.69 61.04 3dx0 s THR 510 Cb 0.22 -2.06 -0.16 0.00 0.01 0.00 0.00 72.50 70.51 3dx0 s THR 510 CO 0.02 0.57 1.57 1.17 -0.69 0.00 0.00 174.62 177.26 3dx0 n LYS 511 N 2.86 1.13 -0.23 4.92 4.81 -0.11 -4.71 118.16 126.82 3dx0 n LYS 511 Ca -0.17 0.41 0.09 0.00 -0.87 0.00 0.00 58.31 57.77 3dx0 n LYS 511 Cb 0.52 -2.07 0.36 0.00 0.02 0.00 0.00 35.03 33.86 3dx0 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3dx0 h PRO 512 N 6.06 0.71 0.00 1.64 0.11 -1.92 -0.76 132.00 137.84 3dx0 h PRO 512 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dx0 h PRO 512 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dx0 h PRO 512 CO 0.88 0.47 0.00 -1.13 -0.21 0.00 0.00 178.00 178.01 3dx0 n SER 513 N -4.52 0.00 -0.06 -2.05 3.41 -1.26 -2.81 113.62 106.33 3dx0 n SER 513 Ca 0.14 -0.33 -0.06 0.00 -0.26 0.00 0.00 58.87 58.36 3dx0 n SER 513 Cb 0.36 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3dx0 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dx0 n ILE 514 N -1.16 0.83 -1.68 -1.33 5.41 -0.40 -5.01 119.36 116.01 3dx0 n ILE 514 Ca 0.14 -0.49 -0.50 0.00 1.00 0.00 0.00 62.75 62.89 3dx0 n ILE 514 Cb 0.14 -0.71 -0.05 0.00 -0.71 0.00 0.00 39.64 38.30 3dx0 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dx0 n TYR 515 N -2.49 2.21 -3.27 1.39 9.36 -0.54 -4.93 117.16 118.89 3dx0 n TYR 515 Ca -0.20 0.19 -0.25 0.00 3.32 0.00 0.00 57.90 60.96 3dx0 n TYR 515 Cb 0.88 -2.58 -0.08 0.00 -0.63 0.00 0.00 39.34 36.93 3dx0 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dx0 n SER 516 N 5.59 -0.08 -4.74 2.98 2.88 -1.26 -5.04 113.62 113.95 3dx0 n SER 516 Ca 0.22 -2.56 -0.41 0.00 -1.33 0.00 0.00 58.87 54.79 3dx0 n SER 516 Cb 0.25 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 3dx0 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3dx0 s PRO 517 N -0.68 4.67 -0.36 -1.46 0.04 -1.26 -5.01 135.00 130.94 3dx0 s PRO 517 Ca 0.34 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 3dx0 s PRO 517 Cb 0.12 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 3dx0 s PRO 517 CO -0.15 0.20 0.24 0.34 0.04 0.00 0.00 177.00 177.67 3dx0 s ASP 518 N -0.27 5.97 0.00 6.66 -1.08 -1.26 -4.99 116.67 121.70 3dx0 s ASP 518 Ca 0.47 -0.60 0.14 0.00 -0.52 0.00 0.00 52.55 52.05 3dx0 s ASP 518 Cb -0.27 -2.11 0.70 0.00 -1.46 0.00 0.00 42.92 39.78 3dx0 s ASP 518 CO 0.33 -0.29 1.41 0.49 0.52 0.00 0.00 175.17 177.63 3dx0 n PHE 519 N 5.09 0.00 0.95 -5.34 3.72 -1.26 -1.48 117.46 119.14 3dx0 n PHE 519 Ca -0.12 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3dx0 n PHE 519 Cb 0.49 -0.33 -0.09 0.00 -0.94 0.00 0.00 39.48 38.61 3dx0 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dx0 n SER 520 N -1.33 1.21 -4.85 4.37 3.41 -1.26 -4.98 113.62 110.18 3dx0 n SER 520 Ca 0.06 -1.10 -0.33 0.00 -0.26 0.00 0.00 58.87 57.24 3dx0 n SER 520 Cb 0.13 0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 64.88 3dx0 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dx0 s PHE 521 N -2.77 3.38 -0.62 7.33 5.36 -0.55 -5.05 117.98 125.06 3dx0 s PHE 521 Ca 0.10 1.24 -0.12 0.00 -0.96 0.00 0.00 56.93 57.19 3dx0 s PHE 521 Cb 0.16 -2.55 0.16 0.00 -0.34 0.00 0.00 43.02 40.45 3dx0 s PHE 521 CO 0.76 0.09 0.53 -1.12 -1.46 0.00 0.00 175.22 174.02 3dx0 s SER 522 N -2.25 6.10 0.26 6.13 0.01 -1.26 -4.90 113.70 117.78 3dx0 s SER 522 Ca 0.54 -2.24 0.04 0.00 1.31 0.00 0.00 55.95 55.60 3dx0 s SER 522 Cb -0.10 -2.11 0.33 0.00 0.21 0.00 0.00 66.02 64.36 3dx0 s SER 522 CO 0.17 -0.66 1.63 1.88 0.41 0.00 0.00 173.24 176.67 3dx0 h TYR 523 N 8.18 0.38 -3.96 2.43 0.05 -1.94 -3.42 116.97 118.69 3dx0 h TYR 523 Ca -0.11 -0.12 -0.26 0.00 0.05 0.00 0.00 58.73 58.29 3dx0 h TYR 523 Cb 1.05 -0.08 -0.22 0.00 1.01 0.00 0.00 36.73 38.50 3dx0 h TYR 523 CO 0.79 0.73 -0.73 -0.06 -1.05 0.00 0.00 178.16 177.85 3dx0 s PHE 524 N -4.05 0.59 -0.01 4.88 0.40 -1.26 -0.59 117.98 117.94 3dx0 s PHE 524 Ca -0.05 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 3dx0 s PHE 524 Cb 0.13 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.26 3dx0 s PHE 524 CO 0.79 -0.09 0.01 0.95 0.70 0.00 0.00 175.22 177.58 3dx0 s THR 525 N -1.30 4.22 0.38 0.64 -4.23 -0.68 -4.86 115.64 109.81 3dx0 s THR 525 Ca -0.10 -0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 59.62 3dx0 s THR 525 Cb -0.09 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 3dx0 s THR 525 CO 0.00 0.40 1.07 -0.76 -0.54 0.00 0.00 174.62 174.80 3dx0 s LEU 526 N -1.49 4.21 -0.17 4.79 1.43 -1.26 -0.84 118.68 125.36 3dx0 s LEU 526 Ca 0.19 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 3dx0 s LEU 526 Cb -0.12 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.05 3dx0 s LEU 526 CO 0.09 -0.46 -0.19 -0.62 0.23 0.00 0.00 176.35 175.40 3dx0 s ASP 527 N -1.40 3.04 -0.19 2.29 2.15 -0.35 -4.93 116.67 117.28 3dx0 s ASP 527 Ca 0.55 -0.61 0.01 0.00 0.43 0.00 0.00 52.55 52.93 3dx0 s ASP 527 Cb -0.25 -1.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.99 3dx0 s ASP 527 CO 0.31 0.00 -0.12 -0.62 -0.17 0.00 0.00 175.17 174.58 3dx0 s ASP 528 N 1.24 3.30 0.39 -0.34 -1.08 -1.26 -4.21 116.67 114.71 3dx0 s ASP 528 Ca 0.03 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 51.51 3dx0 s ASP 528 Cb -0.13 -1.25 1.04 0.00 -1.46 0.00 0.00 42.92 41.11 3dx0 s ASP 528 CO -0.11 -0.12 1.82 0.28 0.52 0.00 0.00 175.17 177.56 3dx0 h SER 529 N 7.98 0.00 0.00 -0.34 0.02 -1.99 -3.34 113.55 115.88 3dx0 h SER 529 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3dx0 h SER 529 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3dx0 h SER 529 CO 0.49 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.72 3dx0 n ARG 530 N -2.68 1.91 -3.70 3.45 1.74 -1.26 -4.43 116.66 111.69 3dx0 n ARG 530 Ca 0.02 -1.17 -0.12 0.00 -0.77 0.00 0.00 57.85 55.81 3dx0 n ARG 530 Cb 0.32 -0.92 -0.12 0.00 -1.02 0.00 0.00 32.46 30.72 3dx0 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3dx0 s TRP 531 N -0.69 -0.44 -0.64 -1.55 -0.11 -1.25 -3.94 118.94 110.32 3dx0 s TRP 531 Ca 0.00 0.99 0.18 0.00 1.22 0.00 0.00 56.10 58.48 3dx0 s TRP 531 Cb 0.00 0.09 0.80 0.00 -1.50 0.00 0.00 33.47 32.86 3dx0 s TRP 531 CO 0.00 -0.30 1.55 -2.30 -4.62 0.00 0.00 176.95 171.28 3dx0 n PRO 532 N 4.56 0.11 0.00 5.86 -0.02 -1.26 -4.71 135.00 139.53 3dx0 n PRO 532 Ca -0.20 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3dx0 n PRO 532 Cb 0.53 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3dx0 n PRO 532 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx0 n GLY 533 N -0.40 1.69 3.70 -1.23 0.00 -1.25 -4.24 105.19 103.47 3dx0 n GLY 533 Ca 0.02 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3dx0 n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dx0 s SER 534 N -0.27 6.46 0.00 1.61 0.15 -1.26 -0.46 113.70 119.93 3dx0 s SER 534 Ca 0.00 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.37 3dx0 s SER 534 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3dx0 s SER 534 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 3dx0 n GLY 535 N 4.08 1.02 0.09 9.45 0.00 -1.26 -4.85 105.19 113.72 3dx0 n GLY 535 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3dx0 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dx0 n VAL 536 N -2.00 1.13 -3.61 1.61 0.31 0.40 -4.95 118.33 111.22 3dx0 n VAL 536 Ca 0.00 -0.59 -0.03 0.00 -0.01 0.00 0.00 64.34 63.71 3dx0 n VAL 536 Cb 0.00 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 3dx0 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3dx0 s GLU 537 N -2.40 0.51 -1.24 5.55 2.12 -1.05 -4.97 118.70 117.23 3dx0 s GLU 537 Ca -0.16 1.00 -0.08 0.00 0.36 0.00 0.00 54.97 56.09 3dx0 s GLU 537 Cb 0.06 0.29 -0.10 0.00 0.26 0.00 0.00 34.13 34.64 3dx0 s GLU 537 CO 0.59 -0.13 2.75 -3.47 -0.54 0.00 0.00 175.26 174.46 3dx0 n ASP 538 N 4.40 7.20 -0.31 -1.70 -0.08 -1.26 -4.45 116.55 120.35 3dx0 n ASP 538 Ca -0.16 -2.47 0.12 0.00 -1.51 0.00 0.00 54.79 50.76 3dx0 n ASP 538 Cb 0.56 -1.39 0.11 0.00 2.34 0.00 0.00 41.12 42.74 3dx0 n ASP 538 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3dx0 n SER 539 N 3.64 1.47 -4.69 1.67 3.41 -1.26 -4.89 113.62 112.97 3dx0 n SER 539 Ca 0.64 -1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 57.67 3dx0 n SER 539 Cb 0.27 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 3dx0 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dx0 s ARG 540 N -2.60 4.41 0.32 4.33 0.52 -1.26 -5.02 118.95 119.63 3dx0 s ARG 540 Ca 0.18 1.50 -0.26 0.00 -0.52 0.00 0.00 55.73 56.62 3dx0 s ARG 540 Cb 0.18 -3.54 -0.10 0.00 0.52 0.00 0.00 34.95 32.02 3dx0 s ARG 540 CO 0.61 -0.34 0.95 0.95 0.02 0.00 0.00 175.30 177.49 3dx0 s THR 541 N 1.99 4.19 -0.13 0.02 -4.23 -1.26 -5.03 115.64 111.18 3dx0 s THR 541 Ca 0.51 1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 62.73 3dx0 s THR 541 Cb -0.21 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.55 3dx0 s THR 541 CO 0.20 0.18 0.31 -0.89 -0.54 0.00 0.00 174.62 173.88 3dx0 s THR 542 N -1.57 5.27 -0.21 3.99 2.01 -1.26 -4.38 115.64 119.48 3dx0 s THR 542 Ca 0.49 0.59 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3dx0 s THR 542 Cb -0.19 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3dx0 s THR 542 CO 0.25 0.44 1.28 -0.63 -0.69 0.00 0.00 174.62 175.26 3dx0 s ILE 543 N 0.10 4.23 -0.39 1.82 1.01 0.36 -4.92 121.20 123.41 3dx0 s ILE 543 Ca 0.18 1.45 -0.15 0.00 0.00 0.00 0.00 60.65 62.13 3dx0 s ILE 543 Cb -0.14 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3dx0 s ILE 543 CO 0.06 -0.25 0.34 -0.63 0.00 0.00 0.00 174.94 174.45 3dx0 s ILE 544 N 3.83 5.20 0.17 2.92 1.01 -1.26 -1.69 121.20 131.38 3dx0 s ILE 544 Ca 0.55 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.95 3dx0 s ILE 544 Cb -0.20 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3dx0 s ILE 544 CO 0.18 -0.25 -0.24 -0.76 0.00 0.00 0.00 174.94 173.86 3dx0 s LEU 545 N 1.87 2.43 -0.30 2.97 1.43 -1.26 -4.74 118.68 121.08 3dx0 s LEU 545 Ca 0.08 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 3dx0 s LEU 545 Cb -0.18 -1.22 0.20 0.00 0.03 0.00 0.00 46.19 45.03 3dx0 s LEU 545 CO 0.11 0.14 1.40 -0.83 0.23 0.00 0.00 176.35 177.40 3dx0 s GLY 546 N -2.46 0.13 0.43 -3.19 0.00 0.28 -4.82 107.32 97.69 3dx0 s GLY 546 Ca 0.19 2.94 0.15 0.00 0.00 0.00 0.00 44.72 48.00 3dx0 s GLY 546 CO 0.09 1.14 1.92 -2.09 0.00 0.00 0.00 173.10 174.16 3dx0 h GLU 547 N 2.03 0.41 -0.59 2.90 4.81 -1.97 -0.32 114.58 121.85 3dx0 h GLU 547 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3dx0 h GLU 547 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3dx0 h GLU 547 CO 0.21 0.27 0.00 -0.25 -0.73 0.00 0.00 179.01 178.51 3dx0 n ASP 548 N -4.48 5.70 0.00 1.04 8.00 -1.26 -4.64 116.55 120.91 3dx0 n ASP 548 Ca 0.14 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.72 3dx0 n ASP 548 Cb 0.51 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3dx0 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx0 n ILE 549 N 0.63 0.00 -3.24 0.53 3.06 -0.45 -5.13 119.36 114.76 3dx0 n ILE 549 Ca 0.28 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.56 3dx0 n ILE 549 Cb 1.19 -0.29 -0.02 0.00 0.54 0.00 0.00 39.64 41.06 3dx0 n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3dx0 s LEU 550 N -4.64 -0.76 0.31 9.51 2.96 -0.26 -4.92 118.68 120.89 3dx0 s LEU 550 Ca 0.00 0.64 0.14 0.00 -0.22 0.00 0.00 54.13 54.69 3dx0 s LEU 550 Cb 0.00 1.70 0.48 0.00 0.50 0.00 0.00 46.19 48.88 3dx0 s LEU 550 CO 0.00 -0.14 1.66 -0.65 -1.32 0.00 0.00 176.35 175.90 3dx0 h PRO 551 N 7.86 0.00 -3.41 0.98 0.11 -1.91 0.82 132.00 136.47 3dx0 h PRO 551 Ca -0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 3dx0 h PRO 551 Cb 1.15 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 3dx0 h PRO 551 CO 0.05 0.52 -0.02 -1.54 -0.21 0.00 0.00 178.00 176.80 3dx0 s SER 552 N -6.70 -0.20 -0.12 -2.05 1.04 -1.26 -1.07 113.70 103.34 3dx0 s SER 552 Ca -0.01 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 3dx0 s SER 552 Cb 0.12 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.86 3dx0 s SER 552 CO 0.73 -1.06 0.28 -0.75 0.98 0.00 0.00 173.24 173.42 3dx0 s LYS 553 N -3.91 0.25 0.16 4.02 2.47 0.02 -4.97 119.74 117.78 3dx0 s LYS 553 Ca 0.12 0.56 -0.28 0.00 -1.56 0.00 0.00 55.97 54.81 3dx0 s LYS 553 Cb -0.01 -0.07 -0.07 0.00 -1.46 0.00 0.00 37.83 36.21 3dx0 s LYS 553 CO -0.00 -0.15 0.87 -1.01 0.16 0.00 0.00 175.35 175.22 3dx0 s HIS 554 N 1.16 3.89 0.08 4.03 3.76 -1.26 -0.94 115.29 126.01 3dx0 s HIS 554 Ca -0.08 1.74 0.05 0.00 -0.15 0.00 0.00 55.06 56.62 3dx0 s HIS 554 Cb -0.09 -2.91 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 3dx0 s HIS 554 CO -0.08 0.40 -0.14 0.14 -0.85 0.00 0.00 174.74 174.20 3dx0 s VAL 555 N -0.76 1.14 -0.02 -0.90 -7.23 -0.13 -1.91 120.40 110.60 3dx0 s VAL 555 Ca 0.40 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3dx0 s VAL 555 Cb -0.24 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 3dx0 s VAL 555 CO 0.28 -0.25 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.03 3dx0 s VAL 556 N -1.40 0.88 -0.09 1.32 1.01 -0.19 -0.76 120.40 121.16 3dx0 s VAL 556 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3dx0 s VAL 556 Cb -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3dx0 s VAL 556 CO 0.02 0.26 -0.02 -0.04 0.00 0.00 0.00 175.10 175.33 3dx0 s MET 557 N 0.02 3.00 -0.07 2.72 -1.94 0.10 -0.24 119.30 122.89 3dx0 s MET 557 Ca -0.01 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3dx0 s MET 557 Cb -0.07 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 3dx0 s MET 557 CO 0.00 0.64 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.98 3dx0 s HIS 558 N -0.73 2.85 -0.32 -0.03 5.04 -0.28 -1.31 115.29 120.51 3dx0 s HIS 558 Ca 0.11 -0.09 0.02 0.00 -1.54 0.00 0.00 55.06 53.56 3dx0 s HIS 558 Cb -0.11 -1.70 0.08 0.00 0.04 0.00 0.00 32.58 30.89 3dx0 s HIS 558 CO 0.02 0.24 0.01 1.21 -2.34 0.00 0.00 174.74 173.88 3dx0 s ASN 559 N -0.67 4.75 0.21 9.88 2.47 -0.45 -0.97 114.94 130.14 3dx0 s ASN 559 Ca 0.10 -1.79 0.24 0.00 0.42 0.00 0.00 52.86 51.83 3dx0 s ASN 559 Cb -0.11 -1.64 0.91 0.00 -1.45 0.00 0.00 41.25 38.96 3dx0 s ASN 559 CO 0.01 -0.32 1.72 1.07 -3.72 0.00 0.00 177.10 175.86 3dx0 n THR 560 N 4.40 0.72 -2.78 -5.21 5.66 -1.26 -1.92 114.28 113.89 3dx0 n THR 560 Ca -0.05 0.05 -0.37 0.00 -3.05 0.00 0.00 64.05 60.64 3dx0 n THR 560 Cb 0.42 -0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 68.21 3dx0 n THR 560 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3dx0 s LEU 561 N -4.29 4.36 -0.07 1.09 1.43 -1.26 -4.51 118.68 115.42 3dx0 s LEU 561 Ca 0.07 1.84 -0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3dx0 s LEU 561 Cb 0.11 -3.98 0.05 0.00 0.03 0.00 0.00 46.19 42.39 3dx0 s LEU 561 CO 0.45 -0.05 1.95 -0.81 0.23 0.00 0.00 176.35 178.12 3dx0 n PRO 562 N 0.63 1.19 -3.88 1.29 -0.04 -1.26 -1.16 135.00 131.76 3dx0 n PRO 562 Ca 0.02 -0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.01 3dx0 n PRO 562 Cb 0.50 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.73 3dx0 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3dx0 s HIS 563 N -0.42 0.12 0.31 0.54 -3.43 -1.26 -0.58 115.29 110.56 3dx0 s HIS 563 Ca 0.07 -0.39 -0.28 0.00 -0.80 0.00 0.00 55.06 53.66 3dx0 s HIS 563 Cb 0.06 -0.08 -0.13 0.00 -1.43 0.00 0.00 32.58 31.00 3dx0 s HIS 563 CO -0.00 -0.41 1.17 0.91 -2.00 0.00 0.00 174.74 174.41 3dx0 n TRP 564 N 0.65 1.80 -3.81 0.38 7.02 -1.26 -3.92 117.44 118.30 3dx0 n TRP 564 Ca -0.19 0.62 -0.13 0.00 -1.02 0.00 0.00 57.50 56.78 3dx0 n TRP 564 Cb 0.59 -2.34 -0.14 0.00 -2.42 0.00 0.00 31.31 27.00 3dx0 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3dx0 s ARG 565 N -1.59 0.04 -0.05 -0.99 3.52 -0.67 -4.95 118.95 114.27 3dx0 s ARG 565 Ca 0.58 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 3dx0 s ARG 565 Cb -0.64 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 3dx0 s ARG 565 CO 0.60 -0.08 0.01 -1.21 -0.81 0.00 0.00 175.30 173.81 3dx0 s GLU 566 N 0.52 2.94 -0.18 5.12 2.02 -1.26 -0.83 118.70 127.02 3dx0 s GLU 566 Ca -0.04 -0.47 -0.19 0.00 0.02 0.00 0.00 54.97 54.29 3dx0 s GLU 566 Cb -0.06 -2.77 0.05 0.00 0.10 0.00 0.00 34.13 31.46 3dx0 s GLU 566 CO -0.02 0.68 0.53 -1.14 0.02 0.00 0.00 175.26 175.33 3dx0 s GLN 567 N -1.15 0.66 0.26 1.61 0.74 -0.67 -4.98 119.66 116.12 3dx0 s GLN 567 Ca 0.16 0.65 -0.30 0.00 0.05 0.00 0.00 55.36 55.92 3dx0 s GLN 567 Cb -0.11 0.32 -0.10 0.00 1.10 0.00 0.00 33.01 34.22 3dx0 s GLN 567 CO 0.06 -0.10 1.38 -0.51 -0.55 0.00 0.00 175.29 175.57 3dx0 s LEU 568 N 0.07 4.40 0.07 3.68 1.43 -1.26 -1.22 118.68 125.84 3dx0 s LEU 568 Ca -0.02 2.62 0.08 0.00 -1.03 0.00 0.00 54.13 55.78 3dx0 s LEU 568 Cb -0.04 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 3dx0 s LEU 568 CO 0.02 -0.63 -0.21 0.68 0.23 0.00 0.00 176.35 176.44 3dx0 s VAL 569 N -0.25 1.68 0.12 -1.59 -7.23 0.03 -4.91 120.40 108.26 3dx0 s VAL 569 Ca 0.56 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 3dx0 s VAL 569 Cb -0.40 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3dx0 s VAL 569 CO 0.45 0.10 -0.20 1.51 -0.31 0.00 0.00 175.10 176.65 3dx0 s ASP 570 N -1.46 2.59 0.04 4.85 -4.77 -1.26 -1.73 116.67 114.93 3dx0 s ASP 570 Ca 0.07 -0.75 0.01 0.00 -3.30 0.00 0.00 52.55 48.58 3dx0 s ASP 570 Cb -0.09 -0.15 -0.03 0.00 -1.09 0.00 0.00 42.92 41.57 3dx0 s ASP 570 CO 0.03 0.03 -0.05 -0.36 0.70 0.00 0.00 175.17 175.52 3dx0 s PHE 571 N -1.47 0.47 0.09 2.11 0.40 -0.36 -4.93 117.98 114.30 3dx0 s PHE 571 Ca 0.10 -0.66 -0.25 0.00 -0.60 0.00 0.00 56.93 55.52 3dx0 s PHE 571 Cb -0.08 -0.31 -0.06 0.00 0.51 0.00 0.00 43.02 43.07 3dx0 s PHE 571 CO 0.05 -0.19 0.76 0.71 0.70 0.00 0.00 175.22 177.25 3dx0 s TYR 572 N -2.09 3.80 0.08 0.36 1.51 -1.26 -0.87 117.35 118.88 3dx0 s TYR 572 Ca -0.08 1.53 0.02 0.00 -1.01 0.00 0.00 57.07 57.53 3dx0 s TYR 572 Cb -0.05 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 3dx0 s TYR 572 CO -0.03 0.38 -0.07 0.14 -1.11 0.00 0.00 175.55 174.86 3dx0 s VAL 573 N -0.51 0.68 -2.19 0.71 -7.23 -0.01 -0.49 120.40 111.37 3dx0 s VAL 573 Ca 0.37 -1.64 0.22 0.00 -1.81 0.00 0.00 61.98 59.12 3dx0 s VAL 573 Cb -0.21 -1.31 0.52 0.00 0.56 0.00 0.00 36.38 35.93 3dx0 s VAL 573 CO 0.24 -0.68 1.67 -1.54 -0.31 0.00 0.00 175.10 174.48 3dx0 n SER 574 N 0.49 0.97 -3.79 4.85 3.41 -0.68 -0.85 113.62 118.02 3dx0 n SER 574 Ca -0.16 -1.54 -0.13 0.00 -0.26 0.00 0.00 58.87 56.78 3dx0 n SER 574 Cb 0.59 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 3dx0 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dx0 s SER 575 N -1.65 -0.18 0.08 4.04 0.15 -1.26 -4.71 113.70 110.18 3dx0 s SER 575 Ca 0.32 0.20 0.25 0.00 0.70 0.00 0.00 55.95 57.42 3dx0 s SER 575 Cb 0.16 0.39 0.99 0.00 -1.71 0.00 0.00 66.02 65.85 3dx0 s SER 575 CO 0.26 -0.30 1.78 -0.81 1.20 0.00 0.00 173.24 175.37 3dx0 n PRO 576 N 1.91 0.09 -3.13 5.44 -0.04 -1.26 -4.44 135.00 133.57 3dx0 n PRO 576 Ca -0.19 0.15 -0.44 0.00 -0.04 0.00 0.00 63.50 62.98 3dx0 n PRO 576 Cb 0.57 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3dx0 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dx0 n PHE 577 N -1.78 3.61 -4.51 0.54 3.72 -1.26 -4.94 117.46 112.83 3dx0 n PHE 577 Ca 0.05 -3.16 -0.21 0.00 -0.05 0.00 0.00 57.45 54.08 3dx0 n PHE 577 Cb 0.32 -1.49 -0.15 0.00 -0.94 0.00 0.00 39.48 37.22 3dx0 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dx0 s VAL 578 N -1.99 0.95 0.17 -4.37 1.01 -1.26 -0.52 120.40 114.39 3dx0 s VAL 578 Ca 0.31 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3dx0 s VAL 578 Cb -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3dx0 s VAL 578 CO 0.02 0.28 -0.14 -0.94 0.00 0.00 0.00 175.10 174.32 3dx0 s SER 579 N 0.01 2.34 -0.08 3.32 1.04 -0.23 -4.80 113.70 115.31 3dx0 s SER 579 Ca -0.01 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.50 3dx0 s SER 579 Cb -0.08 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3dx0 s SER 579 CO 0.00 -0.17 -0.15 -0.69 0.98 0.00 0.00 173.24 173.22 3dx0 s VAL 580 N -2.71 2.97 0.15 5.02 1.01 -1.26 -1.08 120.40 124.51 3dx0 s VAL 580 Ca 0.18 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3dx0 s VAL 580 Cb -0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3dx0 s VAL 580 CO 0.05 0.57 -0.12 0.42 0.00 0.00 0.00 175.10 176.02 3dx0 s THR 581 N -0.34 1.33 0.21 3.92 -4.23 -0.61 -0.86 115.64 115.07 3dx0 s THR 581 Ca 0.03 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3dx0 s THR 581 Cb -0.13 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 71.94 3dx0 s THR 581 CO 0.02 -0.64 0.29 -0.90 -0.54 0.00 0.00 174.62 172.85 3dx0 n ASP 582 N -0.08 0.44 -0.02 3.99 5.68 -0.35 -0.72 116.55 125.49 3dx0 n ASP 582 Ca -0.11 -1.36 0.14 0.00 -0.50 0.00 0.00 54.79 52.96 3dx0 n ASP 582 Cb 0.60 -0.18 0.59 0.00 -1.14 0.00 0.00 41.12 40.99 3dx0 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3dx0 n LEU 583 N 0.00 0.16 -0.43 -2.12 0.00 -1.23 -1.35 117.00 112.03 3dx0 n LEU 583 Ca 0.05 0.29 0.03 0.00 0.00 0.00 0.00 56.01 56.39 3dx0 n LEU 583 Cb 0.18 -0.36 0.09 0.00 0.00 0.00 0.00 43.42 43.33 3dx0 n LEU 583 CO 0.12 0.03 0.57 0.00 0.00 0.00 0.00 177.39 178.11 3dx0 n ALA 584 N -1.36 2.50 -1.51 1.96 0.00 -1.26 -4.90 120.51 115.94 3dx0 n ALA 584 Ca 0.10 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 3dx0 n ALA 584 Cb 0.31 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3dx0 n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dx0 n ASN 585 N 0.11 -4.83 -4.72 0.00 3.02 -0.46 -4.98 115.26 103.40 3dx0 n ASN 585 Ca 0.07 0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 54.55 3dx0 n ASN 585 Cb 0.20 -3.70 -0.04 0.00 -0.61 0.00 0.00 39.78 35.63 3dx0 n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3dx0 s ASN 586 N -2.80 7.37 0.53 6.41 0.01 -1.26 -4.80 114.94 120.41 3dx0 s ASN 586 Ca 0.00 1.82 -0.22 0.00 -0.71 0.00 0.00 52.86 53.75 3dx0 s ASN 586 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 3dx0 s ASN 586 CO 0.00 -0.20 1.33 -2.84 -1.51 0.00 0.00 177.10 173.88 3dx0 s PRO 587 N 0.40 3.27 -0.07 -0.60 0.02 -1.26 -1.22 135.00 135.55 3dx0 s PRO 587 Ca 0.50 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.72 3dx0 s PRO 587 Cb -0.24 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3dx0 s PRO 587 CO 0.30 -1.06 -0.18 0.08 -0.33 0.00 0.00 177.00 175.81 3dx0 s VAL 588 N -1.34 1.52 0.29 3.83 1.01 -0.04 -4.84 120.40 120.84 3dx0 s VAL 588 Ca 0.70 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3dx0 s VAL 588 Cb -0.39 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.55 3dx0 s VAL 588 CO 0.46 0.44 1.50 -0.70 0.00 0.00 0.00 175.10 176.79 3dx0 s GLU 589 N 0.36 4.19 0.05 2.72 2.12 -1.26 -4.25 118.70 122.63 3dx0 s GLU 589 Ca -0.12 2.45 -0.01 0.00 0.36 0.00 0.00 54.97 57.65 3dx0 s GLU 589 Cb -0.15 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3dx0 s GLU 589 CO 0.05 -0.50 -0.03 0.00 -0.54 0.00 0.00 175.26 174.23 3dx0 s ALA 590 N -0.29 0.55 -0.03 6.30 0.00 -0.13 -4.24 121.76 123.93 3dx0 s ALA 590 Ca 0.59 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3dx0 s ALA 590 Cb -0.45 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 3dx0 s ALA 590 CO 0.49 -0.35 -0.13 -1.14 0.00 0.00 0.00 175.76 174.63 3dx0 s GLN 591 N -3.81 1.34 -0.07 0.00 0.74 0.25 -1.11 119.66 117.00 3dx0 s GLN 591 Ca 0.07 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3dx0 s GLN 591 Cb 0.07 -1.21 -0.03 0.00 1.10 0.00 0.00 33.01 32.94 3dx0 s GLN 591 CO -0.09 0.20 -0.07 0.08 -0.55 0.00 0.00 175.29 174.86 3dx0 s VAL 592 N 0.04 3.71 0.14 1.34 1.01 0.42 -0.20 120.40 126.86 3dx0 s VAL 592 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3dx0 s VAL 592 Cb -0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3dx0 s VAL 592 CO 0.01 0.59 -0.05 -0.44 0.00 0.00 0.00 175.10 175.22 3dx0 s SER 593 N -0.72 1.32 0.93 3.32 0.01 -0.33 -1.47 113.70 116.76 3dx0 s SER 593 Ca 0.11 -1.08 -0.12 0.00 1.31 0.00 0.00 55.95 56.17 3dx0 s SER 593 Cb -0.11 0.08 0.15 0.00 0.21 0.00 0.00 66.02 66.34 3dx0 s SER 593 CO 0.02 -0.48 1.11 -2.84 0.41 0.00 0.00 173.24 171.46 3dx0 s PRO 594 N -3.85 1.03 -0.39 12.44 0.02 -1.26 -0.45 135.00 142.54 3dx0 s PRO 594 Ca 0.18 0.46 -0.14 0.00 0.02 0.00 0.00 61.00 61.52 3dx0 s PRO 594 Cb 0.05 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.77 3dx0 s PRO 594 CO -0.00 -2.31 0.28 0.08 -0.33 0.00 0.00 177.00 174.72 3dx0 s VAL 595 N -3.12 5.25 -0.19 3.83 1.01 -1.26 -4.40 120.40 121.52 3dx0 s VAL 595 Ca 0.64 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 3dx0 s VAL 595 Cb -0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3dx0 s VAL 595 CO 0.55 -0.23 0.06 0.26 0.00 0.00 0.00 175.10 175.74 3dx0 s TRP 596 N 1.69 3.23 -0.05 5.22 0.52 -1.26 -1.43 118.94 126.86 3dx0 s TRP 596 Ca 0.05 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.26 3dx0 s TRP 596 Cb -0.19 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3dx0 s TRP 596 CO 0.10 0.11 -0.22 -1.12 0.02 0.00 0.00 176.95 175.84 3dx0 s SER 597 N 0.47 3.39 -0.09 2.95 0.01 -0.11 -4.94 113.70 115.38 3dx0 s SER 597 Ca 0.03 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 3dx0 s SER 597 Cb -0.13 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 3dx0 s SER 597 CO 0.01 0.29 0.24 0.26 0.41 0.00 0.00 173.24 174.45 3dx0 s TRP 598 N -0.44 3.62 -0.02 2.43 0.52 -1.26 0.39 118.94 124.17 3dx0 s TRP 598 Ca 0.05 0.67 0.03 0.00 0.02 0.00 0.00 56.10 56.88 3dx0 s TRP 598 Cb -0.12 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.09 3dx0 s TRP 598 CO 0.01 0.63 -0.12 -1.01 0.02 0.00 0.00 176.95 176.49 3dx0 s HIS 599 N -0.81 1.12 -0.56 -1.98 3.76 -0.49 -4.96 115.29 111.37 3dx0 s HIS 599 Ca 0.18 -0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 54.62 3dx0 s HIS 599 Cb -0.14 -0.75 0.06 0.00 1.11 0.00 0.00 32.58 32.87 3dx0 s HIS 599 CO 0.07 -0.06 0.82 -1.01 -0.85 0.00 0.00 174.74 173.70 3dx0 s HIS 600 N -0.10 2.87 -0.57 1.40 3.76 -1.26 -1.84 115.29 119.55 3dx0 s HIS 600 Ca 0.01 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.28 3dx0 s HIS 600 Cb -0.07 -3.94 0.04 0.00 1.11 0.00 0.00 32.58 29.73 3dx0 s HIS 600 CO 0.00 -1.31 0.98 0.34 -0.85 0.00 0.00 174.74 173.90 3dx0 s ASP 601 N 3.05 6.33 0.27 1.40 -1.08 0.19 -4.89 116.67 121.95 3dx0 s ASP 601 Ca 0.22 -0.36 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 3dx0 s ASP 601 Cb -0.17 -2.45 0.97 0.00 -1.46 0.00 0.00 42.92 39.81 3dx0 s ASP 601 CO 0.13 -1.28 1.74 0.71 0.52 0.00 0.00 175.17 176.99 3dx0 h THR 602 N 6.03 0.00 0.10 1.71 1.35 -1.94 0.77 112.91 120.93 3dx0 h THR 602 Ca -0.26 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3dx0 h THR 602 Cb 1.07 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3dx0 h THR 602 CO 1.11 0.00 -0.05 -0.07 -0.25 0.00 0.00 175.52 176.26 3dx0 h LEU 603 N 0.00 -0.12 0.00 3.87 -0.00 -1.96 -3.38 115.31 113.73 3dx0 h LEU 603 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3dx0 h LEU 603 Cb 0.46 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 3dx0 h LEU 603 CO 0.00 0.26 -0.14 0.35 -0.00 0.00 0.00 178.44 178.91 3dx0 n THR 604 N -4.28 0.13 -3.48 0.22 -2.24 -1.22 -4.94 114.28 98.46 3dx0 n THR 604 Ca -0.02 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 3dx0 n THR 604 Cb 0.05 -0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.02 3dx0 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dx0 n LYS 605 N -1.68 -7.17 -4.29 -0.78 4.76 0.26 -5.02 118.16 104.24 3dx0 n LYS 605 Ca 0.06 0.79 -0.16 0.00 -2.87 0.00 0.00 58.31 56.13 3dx0 n LYS 605 Cb 0.36 -5.69 -0.10 0.00 -1.84 0.00 0.00 35.03 27.76 3dx0 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dx0 s THR 606 N -3.31 1.33 -0.25 -0.18 -4.23 -1.18 -4.98 115.64 102.84 3dx0 s THR 606 Ca 0.39 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3dx0 s THR 606 Cb -0.17 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3dx0 s THR 606 CO 0.69 -0.64 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.49 3dx0 s ILE 607 N -3.23 3.42 0.05 2.99 1.01 -1.26 -0.64 121.20 123.54 3dx0 s ILE 607 Ca 0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 3dx0 s ILE 607 Cb 0.02 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3dx0 s ILE 607 CO 0.04 0.28 0.27 -1.38 0.00 0.00 0.00 174.94 174.15 3dx0 s HIS 608 N 1.45 -0.05 0.09 3.97 -3.43 -0.77 -4.38 115.29 112.17 3dx0 s HIS 608 Ca 0.04 -0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.05 3dx0 s HIS 608 Cb -0.16 0.05 -0.06 0.00 -1.43 0.00 0.00 32.58 30.99 3dx0 s HIS 608 CO -0.02 -0.49 0.45 -1.25 -2.00 0.00 0.00 174.74 171.43 3dx0 s PRO 609 N -2.64 3.84 -0.06 -0.38 0.04 -1.26 -1.39 135.00 133.15 3dx0 s PRO 609 Ca -0.04 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.33 3dx0 s PRO 609 Cb -0.01 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 3dx0 s PRO 609 CO -0.04 0.55 -0.15 -0.65 0.04 0.00 0.00 177.00 176.75 3dx0 s GLN 610 N -1.83 2.60 -0.03 4.56 -1.52 0.16 -4.93 119.66 118.68 3dx0 s GLN 610 Ca 0.33 -0.71 -0.04 0.00 -1.95 0.00 0.00 55.36 52.99 3dx0 s GLN 610 Cb -0.15 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.21 3dx0 s GLN 610 CO 0.18 0.57 0.19 0.20 -0.25 0.00 0.00 175.29 176.18 3dx0 s GLY 611 N -0.58 2.19 0.34 3.09 0.00 -1.26 -0.94 107.32 110.17 3dx0 s GLY 611 Ca 0.08 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.84 3dx0 s GLY 611 CO 0.01 -0.53 1.07 -0.45 0.00 0.00 0.00 173.10 173.20 3dx0 s SER 612 N -1.69 6.98 0.00 1.64 0.15 -0.51 -4.90 113.70 115.37 3dx0 s SER 612 Ca 0.25 2.15 0.19 0.00 0.70 0.00 0.00 55.95 59.24 3dx0 s SER 612 Cb -0.13 -2.61 0.36 0.00 -1.71 0.00 0.00 66.02 61.93 3dx0 s SER 612 CO 0.15 -0.34 1.29 0.35 1.20 0.00 0.00 173.24 175.89 3dx0 n THR 613 N 0.51 0.55 -0.18 6.45 -2.24 -1.26 -4.54 114.28 113.56 3dx0 n THR 613 Ca 0.02 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3dx0 n THR 613 Cb 0.47 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3dx0 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dx0 n THR 614 N 1.17 0.00 -4.33 4.28 -2.24 -1.26 -4.20 114.28 107.70 3dx0 n THR 614 Ca 0.16 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 3dx0 n THR 614 Cb 0.52 1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 69.79 3dx0 n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dx0 s LYS 615 N -0.22 0.79 0.11 -0.78 1.02 -1.26 -4.50 119.74 114.90 3dx0 s LYS 615 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3dx0 s LYS 615 Cb 0.00 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 3dx0 s LYS 615 CO 0.00 0.19 -0.05 0.71 -0.92 0.00 0.00 175.35 175.29 3dx0 s TYR 616 N -0.58 0.94 -0.20 3.18 2.02 -0.03 -3.99 117.35 118.69 3dx0 s TYR 616 Ca 0.01 -0.95 -0.07 0.00 -0.37 0.00 0.00 57.07 55.69 3dx0 s TYR 616 Cb -0.06 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 3dx0 s TYR 616 CO 0.00 -0.18 0.07 1.03 -1.57 0.00 0.00 175.55 174.90 3dx0 s ARG 617 N -3.86 3.88 -0.09 -0.62 0.52 0.41 -0.83 118.95 118.36 3dx0 s ARG 617 Ca 0.15 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.96 3dx0 s ARG 617 Cb 0.06 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 3dx0 s ARG 617 CO -0.03 0.13 -0.04 -1.50 0.02 0.00 0.00 175.30 173.88 3dx0 s ILE 618 N 0.76 3.92 -0.04 1.52 2.07 -0.05 -1.18 121.20 128.19 3dx0 s ILE 618 Ca 0.04 -0.38 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 3dx0 s ILE 618 Cb -0.13 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 39.82 3dx0 s ILE 618 CO 0.02 0.58 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.86 3dx0 s ILE 619 N -0.56 1.15 0.17 2.00 1.01 0.72 -1.22 121.20 124.46 3dx0 s ILE 619 Ca 0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3dx0 s ILE 619 Cb -0.12 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.36 3dx0 s ILE 619 CO 0.02 0.34 0.44 0.72 0.00 0.00 0.00 174.94 176.46 3dx0 s PHE 620 N 0.25 -0.01 -0.32 3.97 -0.71 -0.70 -0.58 117.98 119.87 3dx0 s PHE 620 Ca -0.06 -0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 55.25 3dx0 s PHE 620 Cb -0.12 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 3dx0 s PHE 620 CO 0.02 -0.82 0.83 0.21 -1.34 0.00 0.00 175.22 174.12 3dx0 s LYS 621 N -3.88 3.93 0.01 1.99 2.20 -1.26 -0.79 119.74 121.94 3dx0 s LYS 621 Ca 0.10 0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 56.16 3dx0 s LYS 621 Cb 0.01 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 3dx0 s LYS 621 CO -0.04 -0.75 0.40 0.00 -0.36 0.00 0.00 175.35 174.60 3dx0 s ALA 622 N 3.09 3.71 -0.17 3.13 0.00 -0.36 -4.92 121.76 126.25 3dx0 s ALA 622 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3dx0 s ALA 622 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.65 3dx0 s ALA 622 CO 0.14 0.50 -0.16 0.50 0.00 0.00 0.00 175.76 176.74 3dx0 s ARG 623 N -1.21 2.52 -0.03 0.00 3.52 -1.26 -1.67 118.95 120.81 3dx0 s ARG 623 Ca 0.25 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 3dx0 s ARG 623 Cb -0.16 -2.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.90 3dx0 s ARG 623 CO 0.14 -0.26 -0.14 0.08 -0.81 0.00 0.00 175.30 174.31 3dx0 s VAL 624 N 1.40 1.20 0.99 7.11 1.01 -0.01 -4.77 120.40 127.33 3dx0 s VAL 624 Ca 0.04 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3dx0 s VAL 624 Cb -0.13 -1.04 0.19 0.00 0.00 0.00 0.00 36.38 35.39 3dx0 s VAL 624 CO -0.11 0.35 1.09 -2.84 0.00 0.00 0.00 175.10 173.59 3dx0 s PRO 625 N 0.03 0.44 0.23 2.72 0.02 -1.26 -1.67 135.00 135.50 3dx0 s PRO 625 Ca -0.02 1.13 -0.32 0.00 0.02 0.00 0.00 61.00 61.81 3dx0 s PRO 625 Cb -0.10 -1.69 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 3dx0 s PRO 625 CO 0.01 -2.89 1.66 -2.30 -0.33 0.00 0.00 177.00 173.15 3dx0 n PRO 626 N -4.37 2.66 -4.14 5.54 -0.02 -1.25 -2.06 135.00 131.35 3dx0 n PRO 626 Ca 0.08 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.17 3dx0 n PRO 626 Cb 0.54 -2.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 3dx0 n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dx0 n MET 627 N 3.37 -3.53 -2.29 -0.52 2.81 -0.31 -4.73 117.12 111.93 3dx0 n MET 627 Ca 0.14 0.41 -0.03 0.00 -1.81 0.00 0.00 57.70 56.41 3dx0 n MET 627 Cb 0.34 -5.07 -0.01 0.00 -0.71 0.00 0.00 33.22 27.77 3dx0 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dx0 n GLY 628 N -1.53 3.93 3.07 3.03 0.00 -0.88 -4.82 105.19 107.99 3dx0 n GLY 628 Ca 0.02 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 3dx0 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx0 s LEU 629 N 0.00 2.23 -0.02 0.99 1.43 -0.07 -1.35 118.68 121.89 3dx0 s LEU 629 Ca 0.04 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3dx0 s LEU 629 Cb 0.00 -0.23 0.03 0.00 0.03 0.00 0.00 46.19 46.02 3dx0 s LEU 629 CO 0.03 -0.16 0.04 0.00 0.23 0.00 0.00 176.35 176.49 3dx0 s ALA 630 N -1.23 0.03 -0.13 4.21 0.00 -0.42 -1.20 121.76 123.02 3dx0 s ALA 630 Ca -0.08 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 3dx0 s ALA 630 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3dx0 s ALA 630 CO 0.01 -0.10 0.10 0.99 0.00 0.00 0.00 175.76 176.76 3dx0 s THR 631 N 0.91 5.20 0.22 0.00 2.01 -0.04 -0.72 115.64 123.21 3dx0 s THR 631 Ca -0.07 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3dx0 s THR 631 Cb -0.11 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 3dx0 s THR 631 CO -0.03 0.58 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.15 3dx0 s TYR 632 N -0.71 1.55 -0.05 4.92 1.51 0.06 -3.58 117.35 121.04 3dx0 s TYR 632 Ca 0.13 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 3dx0 s TYR 632 Cb -0.12 -0.88 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 3dx0 s TYR 632 CO 0.03 0.00 -0.14 0.08 -1.11 0.00 0.00 175.55 174.41 3dx0 s VAL 633 N -3.37 1.25 -0.20 0.71 1.01 0.11 -0.95 120.40 118.95 3dx0 s VAL 633 Ca 0.27 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3dx0 s VAL 633 Cb 0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3dx0 s VAL 633 CO 0.08 0.37 0.05 -0.76 0.00 0.00 0.00 175.10 174.84 3dx0 s LEU 634 N 0.36 3.58 -0.04 3.92 1.43 -0.11 -1.58 118.68 126.25 3dx0 s LEU 634 Ca -0.10 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3dx0 s LEU 634 Cb -0.13 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3dx0 s LEU 634 CO 0.03 0.10 -0.18 -0.89 0.23 0.00 0.00 176.35 175.64 3dx0 s THR 635 N 0.80 1.49 0.38 5.49 2.01 -0.24 -0.80 115.64 124.76 3dx0 s THR 635 Ca 0.03 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 3dx0 s THR 635 Cb -0.14 -1.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.03 3dx0 s THR 635 CO 0.02 0.43 0.78 -0.51 -0.69 0.00 0.00 174.62 174.65 3dx0 s ILE 636 N -0.09 4.69 0.27 1.82 2.07 -0.23 -1.07 121.20 128.65 3dx0 s ILE 636 Ca -0.01 0.87 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 3dx0 s ILE 636 Cb -0.11 -3.66 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 3dx0 s ILE 636 CO 0.02 -0.36 0.12 -0.94 -1.91 0.00 0.00 174.94 171.87 3dx0 s SER 637 N -2.67 1.16 0.00 4.50 1.04 0.32 -4.93 113.70 113.12 3dx0 s SER 637 Ca 0.54 -1.45 0.28 0.00 0.48 0.00 0.00 55.95 55.80 3dx0 s SER 637 Cb -0.10 0.28 1.12 0.00 0.10 0.00 0.00 66.02 67.41 3dx0 s SER 637 CO 0.24 -0.80 1.84 -0.90 0.98 0.00 0.00 173.24 174.59 3dx0 n ASP 638 N -0.61 0.12 -3.19 7.02 5.75 -1.26 -4.71 116.55 119.67 3dx0 n ASP 638 Ca 0.01 0.26 -0.12 0.00 -0.01 0.00 0.00 54.79 54.93 3dx0 n ASP 638 Cb 0.66 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3dx0 n ASP 638 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3dx0 s SER 639 N -2.95 0.48 -0.20 -1.12 1.04 -1.26 -5.06 113.70 104.64 3dx0 s SER 639 Ca 0.15 -1.30 -0.36 0.00 0.48 0.00 0.00 55.95 54.92 3dx0 s SER 639 Cb 0.19 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.91 3dx0 s SER 639 CO 0.56 -1.44 1.88 0.29 0.98 0.00 0.00 173.24 175.51 3dx0 n LYS 640 N -0.54 1.66 -2.11 4.02 5.02 -1.26 -4.84 118.16 120.12 3dx0 n LYS 640 Ca -0.03 0.59 -0.34 0.00 -2.02 0.00 0.00 58.31 56.51 3dx0 n LYS 640 Cb 0.61 -2.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.20 3dx0 n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dx0 s PRO 641 N 4.23 3.20 0.32 1.97 0.02 -1.26 -4.96 135.00 138.51 3dx0 s PRO 641 Ca 0.97 1.51 0.03 0.00 0.02 0.00 0.00 61.00 63.54 3dx0 s PRO 641 Cb -0.85 -1.99 0.63 0.00 0.02 0.00 0.00 34.50 32.31 3dx0 s PRO 641 CO 0.56 -0.95 1.89 1.49 -0.33 0.00 0.00 177.00 179.66 3dx0 h GLU 642 N 0.82 0.88 -0.37 5.54 4.81 -1.98 -3.08 114.58 121.20 3dx0 h GLU 642 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3dx0 h GLU 642 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3dx0 h GLU 642 CO 0.56 0.58 0.00 0.72 -0.73 0.00 0.00 179.01 180.14 3dx0 n HIS 643 N -4.53 1.21 -5.08 0.92 8.25 -1.26 -4.90 115.22 109.83 3dx0 n HIS 643 Ca 0.15 -0.79 -0.32 0.00 -0.26 0.00 0.00 57.72 56.50 3dx0 n HIS 643 Cb 0.30 -0.33 -0.17 0.00 1.12 0.00 0.00 29.99 30.92 3dx0 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dx0 s THR 644 N -2.58 2.18 0.40 1.59 2.01 -1.17 -0.96 115.64 117.11 3dx0 s THR 644 Ca 0.44 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3dx0 s THR 644 Cb 0.34 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 3dx0 s THR 644 CO 0.12 0.55 0.33 -0.94 -0.69 0.00 0.00 174.62 174.00 3dx0 s SER 645 N 0.42 5.03 -0.07 3.53 1.04 -0.26 -4.70 113.70 118.69 3dx0 s SER 645 Ca -0.16 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.57 3dx0 s SER 645 Cb -0.17 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.31 3dx0 s SER 645 CO 0.07 -0.57 -0.16 -0.31 0.98 0.00 0.00 173.24 173.25 3dx0 s TYR 646 N -2.45 1.76 0.52 5.02 2.02 -1.26 -0.43 117.35 122.52 3dx0 s TYR 646 Ca 0.46 -0.65 -0.20 0.00 -0.37 0.00 0.00 57.07 56.30 3dx0 s TYR 646 Cb -0.03 -1.23 -0.07 0.00 -0.40 0.00 0.00 41.96 40.23 3dx0 s TYR 646 CO 0.27 -0.29 1.12 0.00 -1.57 0.00 0.00 175.55 175.07 3dx0 s ALA 647 N 0.49 2.77 0.50 3.71 0.00 -0.54 -4.93 121.76 123.76 3dx0 s ALA 647 Ca -0.14 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 3dx0 s ALA 647 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3dx0 s ALA 647 CO 0.05 -0.66 0.85 -1.12 0.00 0.00 0.00 175.76 174.88 3dx0 s SER 648 N -1.75 6.32 -0.02 0.00 0.01 -0.09 -4.87 113.70 113.30 3dx0 s SER 648 Ca 0.70 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3dx0 s SER 648 Cb -0.23 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.70 3dx0 s SER 648 CO 0.27 -0.61 0.00 0.20 0.41 0.00 0.00 173.24 173.51 3dx0 s ASN 649 N -3.90 0.33 -0.14 2.44 0.01 -1.26 -1.03 114.94 111.39 3dx0 s ASN 649 Ca 0.50 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.63 3dx0 s ASN 649 Cb -0.10 -0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.41 3dx0 s ASN 649 CO 0.44 -0.09 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.63 3dx0 s LEU 650 N 0.92 1.48 -0.34 0.60 2.96 0.68 -0.93 118.68 124.04 3dx0 s LEU 650 Ca -0.09 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 3dx0 s LEU 650 Cb -0.12 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3dx0 s LEU 650 CO -0.02 -0.13 0.23 -0.22 -1.32 0.00 0.00 176.35 174.89 3dx0 s LEU 651 N 1.63 4.48 -0.35 -0.68 1.98 0.35 -0.49 118.68 125.61 3dx0 s LEU 651 Ca 0.03 -0.44 -0.11 0.00 -2.89 0.00 0.00 54.13 50.73 3dx0 s LEU 651 Cb -0.14 -2.12 0.01 0.00 0.66 0.00 0.00 46.19 44.60 3dx0 s LEU 651 CO -0.09 -0.23 0.19 -0.76 -1.89 0.00 0.00 176.35 173.57 3dx0 s LEU 652 N 1.71 4.46 -0.18 -0.68 1.43 0.95 -2.20 118.68 124.16 3dx0 s LEU 652 Ca 0.06 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 3dx0 s LEU 652 Cb -0.17 -2.03 0.14 0.00 0.03 0.00 0.00 46.19 44.16 3dx0 s LEU 652 CO 0.10 -0.29 1.10 0.00 0.23 0.00 0.00 176.35 177.49 3dx0 s ARG 653 N 1.60 0.45 0.67 1.70 1.70 -0.33 -1.57 118.95 123.17 3dx0 s ARG 653 Ca 0.04 0.03 -0.12 0.00 -0.47 0.00 0.00 55.73 55.21 3dx0 s ARG 653 Cb -0.18 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 3dx0 s ARG 653 CO 0.07 -0.16 1.06 0.15 -1.08 0.00 0.00 175.30 175.34 3dx0 s LYS 654 N -1.47 3.05 -1.22 3.89 1.02 -1.26 -4.24 119.74 119.50 3dx0 s LYS 654 Ca 0.03 0.99 -0.00 0.00 0.02 0.00 0.00 55.97 57.01 3dx0 s LYS 654 Cb -0.01 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3dx0 s LYS 654 CO -0.03 -1.02 0.94 -1.71 -0.92 0.00 0.00 175.35 172.62 3dx0 n ASN 655 N -2.89 -1.91 -4.83 2.83 5.15 -1.26 -4.96 115.26 107.39 3dx0 n ASN 655 Ca 0.08 -0.66 -0.32 0.00 -0.60 0.00 0.00 54.58 53.07 3dx0 n ASN 655 Cb 0.53 -4.91 0.00 0.00 -0.53 0.00 0.00 39.78 34.88 3dx0 n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dx0 s PRO 656 N -5.48 3.49 0.24 1.20 0.04 -1.26 -5.07 135.00 128.16 3dx0 s PRO 656 Ca 0.01 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.15 3dx0 s PRO 656 Cb -0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3dx0 s PRO 656 CO 0.75 -0.65 -0.08 0.95 0.04 0.00 0.00 177.00 178.00 3dx0 s THR 657 N -2.67 1.55 0.90 1.26 -4.23 -1.26 -5.14 115.64 106.05 3dx0 s THR 657 Ca 0.60 -2.13 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 3dx0 s THR 657 Cb -0.13 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.54 3dx0 s THR 657 CO 0.40 -0.42 0.96 -1.54 -0.54 0.00 0.00 174.62 173.47 3dx0 n SER 658 N -0.47 -0.17 -3.25 3.99 3.41 -1.26 -5.01 113.62 110.85 3dx0 n SER 658 Ca -0.06 0.44 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 3dx0 n SER 658 Cb 0.62 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.09 3dx0 n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dx0 s LEU 659 N -4.88 0.73 0.57 1.04 1.43 -1.26 -5.10 118.68 111.20 3dx0 s LEU 659 Ca 0.66 -2.72 -0.19 0.00 -1.03 0.00 0.00 54.13 50.85 3dx0 s LEU 659 Cb -0.24 0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 3dx0 s LEU 659 CO 0.59 -0.15 1.13 -2.16 0.23 0.00 0.00 176.35 175.99 3dx0 s PRO 660 N 0.29 3.23 -0.07 1.29 0.04 -1.26 -4.61 135.00 133.90 3dx0 s PRO 660 Ca 0.32 1.58 0.21 0.00 0.04 0.00 0.00 61.00 63.14 3dx0 s PRO 660 Cb 0.02 -1.99 0.42 0.00 0.04 0.00 0.00 34.50 32.99 3dx0 s PRO 660 CO -0.16 -0.94 1.19 1.28 0.04 0.00 0.00 177.00 178.40 3dx0 n LEU 661 N -1.53 1.59 0.00 -3.56 4.77 -1.26 -4.71 117.00 112.30 3dx0 n LEU 661 Ca 0.11 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 3dx0 n LEU 661 Cb 0.51 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3dx0 n LEU 661 CO 0.43 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3dx0 n GLY 662 N -0.07 3.87 0.05 -0.72 0.00 -1.26 -1.98 105.19 105.08 3dx0 n GLY 662 Ca 0.10 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3dx0 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dx0 n GLN 663 N 13.98 0.57 -1.65 1.61 6.02 -1.26 -4.87 117.38 131.78 3dx0 n GLN 663 Ca 0.00 -0.10 -0.52 0.00 -0.01 0.00 0.00 57.00 56.37 3dx0 n GLN 663 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 3dx0 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3dx0 n TYR 664 N -1.12 1.95 0.89 1.08 9.36 -0.84 -4.83 117.16 123.65 3dx0 n TYR 664 Ca 0.15 0.43 0.11 0.00 3.32 0.00 0.00 57.90 61.90 3dx0 n TYR 664 Cb 0.25 -2.46 0.51 0.00 -0.63 0.00 0.00 39.34 37.00 3dx0 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dx0 n PRO 665 N 4.16 0.16 -4.75 2.98 -0.04 -1.26 -4.71 135.00 131.53 3dx0 n PRO 665 Ca 0.21 0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.45 3dx0 n PRO 665 Cb 0.21 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.00 3dx0 n PRO 665 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dx0 s GLU 666 N -2.78 3.02 0.29 0.54 0.41 -1.26 -5.11 118.70 113.81 3dx0 s GLU 666 Ca 0.16 -0.86 -0.29 0.00 -0.41 0.00 0.00 54.97 53.57 3dx0 s GLU 666 Cb 0.14 -2.41 -0.10 0.00 -1.78 0.00 0.00 34.13 29.98 3dx0 s GLU 666 CO 0.36 0.01 1.15 -0.51 -0.49 0.00 0.00 175.26 175.79 3dx0 s ASP 667 N 0.74 7.14 0.37 -0.19 1.01 -1.26 -4.93 116.67 119.55 3dx0 s ASP 667 Ca -0.09 2.38 -0.28 0.00 0.71 0.00 0.00 52.55 55.27 3dx0 s ASP 667 Cb -0.16 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.03 3dx0 s ASP 667 CO -0.00 -0.24 1.50 -0.69 0.21 0.00 0.00 175.17 175.95 3dx0 s VAL 668 N -1.15 2.05 0.14 -1.27 1.01 -1.26 -4.72 120.40 115.20 3dx0 s VAL 668 Ca 0.46 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3dx0 s VAL 668 Cb -0.34 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3dx0 s VAL 668 CO 0.44 0.01 0.17 -0.54 0.00 0.00 0.00 175.10 175.18 3dx0 s LYS 669 N -1.89 3.07 0.17 2.72 3.01 -0.11 -4.99 119.74 121.72 3dx0 s LYS 669 Ca 0.54 -0.75 0.08 0.00 -1.01 0.00 0.00 55.97 54.83 3dx0 s LYS 669 Cb -0.47 -2.77 -0.04 0.00 -1.01 0.00 0.00 37.83 33.55 3dx0 s LYS 669 CO 0.61 0.51 -0.16 -0.06 0.51 0.00 0.00 175.35 176.76 3dx0 s PHE 670 N -1.68 1.69 0.04 3.18 0.40 -1.26 -0.50 117.98 119.85 3dx0 s PHE 670 Ca 0.32 -0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 55.84 3dx0 s PHE 670 Cb -0.11 -0.83 0.10 0.00 0.51 0.00 0.00 43.02 42.69 3dx0 s PHE 670 CO 0.25 0.29 1.10 0.20 0.70 0.00 0.00 175.22 177.76 3dx0 s GLY 671 N -2.81 -0.33 0.60 4.36 0.00 -0.93 -4.91 107.32 103.29 3dx0 s GLY 671 Ca 0.16 0.55 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 3dx0 s GLY 671 CO 0.06 0.12 1.08 0.99 0.00 0.00 0.00 173.10 175.35 3dx0 s ASP 672 N -2.85 5.65 0.27 1.64 1.01 -1.26 -1.19 116.67 119.93 3dx0 s ASP 672 Ca 0.12 1.91 -0.29 0.00 0.71 0.00 0.00 52.55 55.00 3dx0 s ASP 672 Cb 0.01 -2.55 -0.14 0.00 1.01 0.00 0.00 42.92 41.25 3dx0 s ASP 672 CO -0.02 -1.26 1.02 -2.65 0.21 0.00 0.00 175.17 172.48 3dx0 n PRO 673 N -1.96 1.30 -3.46 8.23 -0.02 -1.26 -4.68 135.00 133.14 3dx0 n PRO 673 Ca 0.09 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3dx0 n PRO 673 Cb 0.52 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3dx0 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3dx0 s ARG 674 N -1.34 1.12 0.40 -0.52 1.70 -1.26 -4.99 118.95 114.06 3dx0 s ARG 674 Ca 0.61 -0.30 -0.26 0.00 -0.47 0.00 0.00 55.73 55.31 3dx0 s ARG 674 Cb -0.73 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.08 3dx0 s ARG 674 CO 0.58 -0.47 1.30 -1.21 -1.08 0.00 0.00 175.30 174.43 3dx0 s GLU 675 N -3.13 4.00 0.09 3.89 2.02 -1.26 -4.09 118.70 120.22 3dx0 s GLU 675 Ca -0.00 2.16 0.02 0.00 0.02 0.00 0.00 54.97 57.17 3dx0 s GLU 675 Cb -0.01 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 3dx0 s GLU 675 CO -0.08 -0.47 -0.07 0.96 0.02 0.00 0.00 175.26 175.61 3dx0 s ILE 676 N -1.25 0.70 0.05 -1.63 -4.36 -0.93 -4.97 121.20 108.80 3dx0 s ILE 676 Ca 0.56 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 3dx0 s ILE 676 Cb -0.38 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 3dx0 s ILE 676 CO 0.49 -0.71 -0.16 -0.44 0.24 0.00 0.00 174.94 174.36 3dx0 s SER 677 N -2.61 1.91 0.03 4.36 0.01 -1.26 -0.44 113.70 115.70 3dx0 s SER 677 Ca 0.06 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.81 3dx0 s SER 677 Cb 0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 3dx0 s SER 677 CO -0.03 0.05 -0.04 -0.76 0.41 0.00 0.00 173.24 172.87 3dx0 s LEU 678 N -1.28 2.24 -0.13 2.44 1.43 -0.10 -4.98 118.68 118.30 3dx0 s LEU 678 Ca 0.03 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3dx0 s LEU 678 Cb -0.08 0.03 0.06 0.00 0.03 0.00 0.00 46.19 46.22 3dx0 s LEU 678 CO 0.02 -0.27 0.28 -0.60 0.23 0.00 0.00 176.35 176.01 3dx0 s ARG 679 N -1.46 0.21 -0.16 1.70 3.52 -1.26 -0.90 118.95 120.60 3dx0 s ARG 679 Ca -0.14 0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 56.08 3dx0 s ARG 679 Cb -0.10 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 3dx0 s ARG 679 CO -0.01 -0.22 0.05 0.08 -0.81 0.00 0.00 175.30 174.40 3dx0 s VAL 680 N 1.84 4.72 0.00 7.11 1.01 -1.26 -4.99 120.40 128.83 3dx0 s VAL 680 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3dx0 s VAL 680 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3dx0 s VAL 680 CO -0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3dx0 n GLY 681 N 3.10 3.19 1.45 4.51 0.00 -1.26 -1.74 105.19 114.44 3dx0 n GLY 681 Ca -0.17 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3dx0 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dx0 n ASN 682 N 2.59 4.73 -2.80 1.61 3.02 -1.26 -4.99 115.26 118.16 3dx0 n ASN 682 Ca 0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.86 3dx0 n ASN 682 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 3dx0 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dx0 n GLY 683 N 0.56 -0.65 3.77 7.41 0.00 -0.71 -4.97 105.19 110.60 3dx0 n GLY 683 Ca 0.24 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 3dx0 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dx0 s PRO 684 N -0.06 2.39 -0.17 1.61 0.04 -1.26 -4.82 135.00 132.73 3dx0 s PRO 684 Ca 0.00 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 3dx0 s PRO 684 Cb 0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3dx0 s PRO 684 CO 0.00 -1.55 0.02 0.99 0.04 0.00 0.00 177.00 176.51 3dx0 s THR 685 N -2.80 4.43 -0.08 1.26 2.01 0.43 -4.32 115.64 116.57 3dx0 s THR 685 Ca 0.62 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.49 3dx0 s THR 685 Cb -0.18 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3dx0 s THR 685 CO 0.53 0.47 -0.16 -0.76 -0.69 0.00 0.00 174.62 174.01 3dx0 s LEU 686 N 0.42 2.60 -0.05 4.42 1.43 -0.08 -0.59 118.68 126.83 3dx0 s LEU 686 Ca 0.00 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3dx0 s LEU 686 Cb -0.13 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3dx0 s LEU 686 CO 0.01 0.26 -0.09 0.00 0.23 0.00 0.00 176.35 176.77 3dx0 s ALA 687 N -0.24 2.91 0.07 4.21 0.00 -0.75 -0.92 121.76 127.05 3dx0 s ALA 687 Ca 0.01 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.10 3dx0 s ALA 687 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3dx0 s ALA 687 CO 0.03 0.58 -0.21 -0.06 0.00 0.00 0.00 175.76 176.10 3dx0 s PHE 688 N -0.83 1.83 0.94 0.00 0.40 0.42 0.06 117.98 120.79 3dx0 s PHE 688 Ca 0.13 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 3dx0 s PHE 688 Cb -0.11 -1.05 0.15 0.00 0.51 0.00 0.00 43.02 42.52 3dx0 s PHE 688 CO 0.02 0.15 1.11 -1.54 0.70 0.00 0.00 175.22 175.67 3dx0 s SER 689 N -1.50 3.22 0.00 1.36 1.04 0.13 -2.20 113.70 115.76 3dx0 s SER 689 Ca 0.07 1.10 0.06 0.00 0.48 0.00 0.00 55.95 57.66 3dx0 s SER 689 Cb -0.09 -1.73 0.25 0.00 0.10 0.00 0.00 66.02 64.54 3dx0 s SER 689 CO 0.03 -2.75 1.18 -1.84 0.98 0.00 0.00 173.24 170.85 3dx0 n GLU 690 N -3.91 0.00 -0.21 4.02 0.28 -1.26 -1.52 120.64 118.04 3dx0 n GLU 690 Ca 0.06 0.41 0.10 0.00 -0.16 0.00 0.00 57.16 57.57 3dx0 n GLU 690 Cb 0.58 -1.51 0.27 0.00 1.43 0.00 0.00 31.44 32.21 3dx0 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3dx0 n GLN 691 N -1.51 2.23 -0.78 3.44 6.02 -1.26 -4.38 117.38 121.14 3dx0 n GLN 691 Ca 0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 3dx0 n GLN 691 Cb 0.07 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.88 3dx0 n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dx0 n GLY 692 N 1.37 0.54 3.56 1.08 0.00 -0.58 -4.89 105.19 106.27 3dx0 n GLY 692 Ca 0.18 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3dx0 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx0 s LEU 693 N 0.00 3.11 0.21 0.99 1.43 -1.26 -4.75 118.68 118.41 3dx0 s LEU 693 Ca 0.00 -0.05 -0.32 0.00 -1.03 0.00 0.00 54.13 52.73 3dx0 s LEU 693 Cb 0.00 -1.68 -0.15 0.00 0.03 0.00 0.00 46.19 44.40 3dx0 s LEU 693 CO 0.00 0.35 1.19 -0.11 0.23 0.00 0.00 176.35 178.01 3dx0 n LEU 694 N 2.32 1.93 -0.00 1.79 7.94 -1.26 -0.69 117.00 129.02 3dx0 n LEU 694 Ca -0.18 1.15 -0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3dx0 n LEU 694 Cb 0.53 -1.28 -0.00 0.00 0.53 0.00 0.00 43.42 43.20 3dx0 n LEU 694 CO 0.27 -1.14 -0.51 1.17 -1.11 0.00 0.00 177.39 176.07 3dx0 n LYS 695 N 1.62 3.15 -3.51 1.96 4.81 0.11 -2.34 118.16 123.96 3dx0 n LYS 695 Ca 0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 3dx0 n LYS 695 Cb 0.27 -1.01 -0.04 0.00 0.02 0.00 0.00 35.03 34.27 3dx0 n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3dx0 s SER 696 N -3.24 -0.53 -0.09 3.14 1.04 -1.08 -1.62 113.70 111.32 3dx0 s SER 696 Ca -0.00 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.66 3dx0 s SER 696 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3dx0 s SER 696 CO 0.01 -0.79 -0.16 -0.63 0.98 0.00 0.00 173.24 172.65 3dx0 s ILE 697 N -2.69 1.47 -0.28 -1.02 1.01 -0.36 -1.80 121.20 117.54 3dx0 s ILE 697 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 3dx0 s ILE 697 Cb -0.00 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3dx0 s ILE 697 CO -0.04 0.43 0.01 -1.58 0.00 0.00 0.00 174.94 173.77 3dx0 s GLN 698 N 0.80 2.92 0.09 2.79 0.74 0.24 -0.98 119.66 126.26 3dx0 s GLN 698 Ca -0.11 -0.95 -0.16 0.00 0.05 0.00 0.00 55.36 54.19 3dx0 s GLN 698 Cb -0.16 -3.19 -0.09 0.00 1.10 0.00 0.00 33.01 30.67 3dx0 s GLN 698 CO 0.02 -0.44 1.42 -0.07 -0.55 0.00 0.00 175.29 175.66 3dx0 h LEU 699 N 8.12 0.66 -8.95 3.68 3.38 -1.86 0.12 115.31 120.47 3dx0 h LEU 699 Ca -0.31 -0.46 -0.38 0.00 0.09 0.00 0.00 57.88 56.82 3dx0 h LEU 699 Cb 1.11 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 3dx0 h LEU 699 CO 0.59 0.98 -0.59 0.42 0.09 0.00 0.00 178.44 179.93 3dx0 s THR 700 N -4.41 0.49 0.24 0.22 -4.23 -1.26 -4.01 115.64 102.68 3dx0 s THR 700 Ca -0.13 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3dx0 s THR 700 Cb 0.08 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.54 3dx0 s THR 700 CO 0.81 0.00 1.75 1.56 -0.54 0.00 0.00 174.62 178.20 3dx0 h GLN 701 N 2.29 0.51 0.00 3.99 1.08 -1.93 -2.51 115.11 118.55 3dx0 h GLN 701 Ca -0.36 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 56.71 3dx0 h GLN 701 Cb 1.25 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 3dx0 h GLN 701 CO 0.58 0.34 -0.46 0.38 -0.95 0.00 0.00 178.83 178.71 3dx0 h ASP 702 N 0.53 0.00 -4.31 1.46 2.03 -1.99 -3.49 116.42 110.64 3dx0 h ASP 702 Ca 0.39 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.20 3dx0 h ASP 702 Cb 0.51 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.08 3dx0 h ASP 702 CO -0.34 0.46 0.37 -0.94 -1.03 0.00 0.00 179.24 177.77 3dx0 s SER 703 N -6.58 5.63 0.59 4.15 1.04 -0.95 -5.00 113.70 112.58 3dx0 s SER 703 Ca -0.00 1.11 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 3dx0 s SER 703 Cb 0.11 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 3dx0 s SER 703 CO 0.71 -1.20 1.22 -2.65 0.98 0.00 0.00 173.24 172.30 3dx0 n PRO 704 N -2.88 1.27 -2.57 4.02 -0.02 -1.26 -4.86 135.00 128.69 3dx0 n PRO 704 Ca 0.06 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3dx0 n PRO 704 Cb 0.57 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3dx0 n PRO 704 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3dx0 s HIS 705 N -1.38 2.36 -0.12 6.00 3.76 -1.26 -4.41 115.29 120.24 3dx0 s HIS 705 Ca 0.76 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 55.13 3dx0 s HIS 705 Cb -0.41 -4.62 -0.02 0.00 1.11 0.00 0.00 32.58 28.63 3dx0 s HIS 705 CO 0.46 -2.02 1.24 0.08 -0.85 0.00 0.00 174.74 173.65 3dx0 s VAL 706 N 5.47 4.25 0.08 -0.90 1.01 -0.15 -4.79 120.40 125.37 3dx0 s VAL 706 Ca 0.37 1.54 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 3dx0 s VAL 706 Cb -0.07 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 3dx0 s VAL 706 CO 0.09 -0.08 1.78 -2.84 0.00 0.00 0.00 175.10 174.05 3dx0 s PRO 707 N 2.96 4.16 -0.28 2.72 0.02 -1.26 -1.22 135.00 142.10 3dx0 s PRO 707 Ca 0.56 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.06 3dx0 s PRO 707 Cb -0.23 -3.72 0.15 0.00 0.02 0.00 0.00 34.50 30.71 3dx0 s PRO 707 CO 0.18 -0.82 0.38 0.08 -0.33 0.00 0.00 177.00 176.48 3dx0 s VAL 708 N 3.10 -0.57 -0.15 3.83 1.01 -0.64 -4.16 120.40 122.82 3dx0 s VAL 708 Ca 0.79 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3dx0 s VAL 708 Cb -0.42 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3dx0 s VAL 708 CO 0.35 -0.29 -0.16 -2.28 0.00 0.00 0.00 175.10 172.73 3dx0 s HIS 709 N 2.50 2.77 0.22 5.22 5.04 -0.38 -2.99 115.29 127.67 3dx0 s HIS 709 Ca 0.10 -1.03 -0.23 0.00 -1.54 0.00 0.00 55.06 52.36 3dx0 s HIS 709 Cb -0.13 -1.88 -0.08 0.00 0.04 0.00 0.00 32.58 30.52 3dx0 s HIS 709 CO -0.28 -0.46 0.79 -0.06 -2.34 0.00 0.00 174.74 172.39 3dx0 s PHE 710 N 0.78 3.77 -0.08 3.88 0.08 -0.99 -0.83 117.98 124.58 3dx0 s PHE 710 Ca -0.06 1.56 -0.08 0.00 0.12 0.00 0.00 56.93 58.48 3dx0 s PHE 710 Cb -0.15 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 3dx0 s PHE 710 CO 0.00 0.39 0.22 0.21 -0.10 0.00 0.00 175.22 175.94 3dx0 s LYS 711 N -1.65 0.27 -0.13 0.44 2.20 -0.13 -4.76 119.74 115.98 3dx0 s LYS 711 Ca 0.41 0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3dx0 s LYS 711 Cb -0.20 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3dx0 s LYS 711 CO 0.24 -0.03 0.02 -0.06 -0.36 0.00 0.00 175.35 175.15 3dx0 s PHE 712 N 0.08 3.18 0.26 4.03 0.40 -1.26 -0.58 117.98 124.09 3dx0 s PHE 712 Ca -0.00 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 3dx0 s PHE 712 Cb -0.02 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 3dx0 s PHE 712 CO 0.00 0.30 0.10 -0.51 0.70 0.00 0.00 175.22 175.81 3dx0 s LEU 713 N -0.30 1.63 -0.02 -0.37 1.02 -0.56 -1.77 118.68 118.32 3dx0 s LEU 713 Ca 0.07 -1.39 0.03 0.00 0.02 0.00 0.00 54.13 52.86 3dx0 s LEU 713 Cb -0.12 0.03 -0.00 0.00 0.02 0.00 0.00 46.19 46.11 3dx0 s LEU 713 CO 0.02 -0.74 -0.11 -1.59 0.02 0.00 0.00 176.35 173.95 3dx0 s LYS 714 N -4.03 1.01 0.05 1.70 -2.85 0.57 -1.00 119.74 115.19 3dx0 s LYS 714 Ca 0.38 -0.39 -0.00 0.00 -1.00 0.00 0.00 55.97 54.95 3dx0 s LYS 714 Cb 0.08 -0.95 -0.04 0.00 -2.06 0.00 0.00 37.83 34.85 3dx0 s LYS 714 CO 0.14 0.20 0.20 0.71 0.10 0.00 0.00 175.35 176.69 3dx0 s TYR 715 N -0.08 3.51 0.00 1.78 2.02 -0.22 -0.99 117.35 123.38 3dx0 s TYR 715 Ca 0.01 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 3dx0 s TYR 715 Cb -0.07 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3dx0 s TYR 715 CO 0.00 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.99 3dx0 n GLY 716 N 0.43 3.95 3.34 0.71 0.00 -1.26 -1.22 105.19 111.14 3dx0 n GLY 716 Ca -0.06 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 3dx0 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx0 s VAL 717 N 0.55 1.97 0.37 1.61 1.01 -1.26 -3.17 120.40 121.49 3dx0 s VAL 717 Ca 0.00 -1.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.02 3dx0 s VAL 717 Cb 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 3dx0 s VAL 717 CO 0.00 -0.03 1.25 -0.13 0.00 0.00 0.00 175.10 176.19 3dx0 s ARG 718 N -2.09 4.14 0.16 2.72 0.52 -1.25 -4.62 118.95 118.54 3dx0 s ARG 718 Ca 0.11 2.05 0.23 0.00 -0.52 0.00 0.00 55.73 57.60 3dx0 s ARG 718 Cb -0.10 -2.85 0.16 0.00 0.52 0.00 0.00 34.95 32.69 3dx0 s ARG 718 CO 0.05 -0.31 1.18 0.66 0.02 0.00 0.00 175.30 176.90 3dx0 h SER 719 N 2.94 0.00 -4.74 0.23 4.64 -1.98 -3.46 113.55 111.18 3dx0 h SER 719 Ca -0.49 -0.13 -0.28 0.00 -0.47 0.00 0.00 61.79 60.42 3dx0 h SER 719 Cb 1.23 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.12 3dx0 h SER 719 CO 0.64 0.06 -0.74 -1.38 -0.87 0.00 0.00 176.83 174.54 3dx0 s HIS 720 N -3.26 0.72 0.00 4.77 0.00 -1.26 -5.10 115.29 111.17 3dx0 s HIS 720 Ca 0.03 -0.52 0.00 0.00 -3.00 0.00 0.00 55.06 51.57 3dx0 s HIS 720 Cb 0.12 -0.43 0.00 0.00 -4.00 0.00 0.00 32.58 28.27 3dx0 s HIS 720 CO 0.76 -0.08 0.00 0.41 -1.00 0.00 0.00 174.74 174.83 3dx0 n GLY 721 N 1.38 -1.71 3.77 -1.38 0.00 -1.26 -4.95 105.19 101.04 3dx0 n GLY 721 Ca -0.22 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3dx0 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dx0 s ASP 722 N -4.00 7.03 -0.11 1.61 1.01 -1.26 -4.99 116.67 115.96 3dx0 s ASP 722 Ca 0.00 2.05 -0.05 0.00 0.71 0.00 0.00 52.55 55.27 3dx0 s ASP 722 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3dx0 s ASP 722 CO 0.00 -0.30 0.08 -0.13 0.21 0.00 0.00 175.17 175.03 3dx0 s ARG 723 N -2.09 3.29 0.62 8.23 3.00 -1.26 -4.61 118.95 126.13 3dx0 s ARG 723 Ca 0.52 -0.26 -0.18 0.00 0.00 0.00 0.00 55.73 55.81 3dx0 s ARG 723 Cb -0.24 -3.03 -0.03 0.00 0.00 0.00 0.00 34.95 31.65 3dx0 s ARG 723 CO 0.30 0.71 1.14 0.43 0.00 0.00 0.00 175.30 177.88 3dx0 n SER 724 N 2.17 1.47 -0.51 0.23 7.64 -1.26 -4.51 113.62 118.85 3dx0 n SER 724 Ca -0.19 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3dx0 n SER 724 Cb 0.54 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3dx0 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dx0 n GLY 725 N 1.09 3.18 0.39 0.23 0.00 -0.95 -4.54 105.19 104.59 3dx0 n GLY 725 Ca 0.15 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.23 3dx0 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx0 h ALA 726 N 1.67 2.02 0.00 4.61 0.00 -1.85 -3.22 119.26 122.49 3dx0 h ALA 726 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 3dx0 h ALA 726 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3dx0 h ALA 726 CO 0.00 -0.31 -1.56 0.66 0.00 0.00 0.00 179.25 178.04 3dx0 n TYR 727 N -4.57 0.74 -3.48 0.00 4.02 -1.26 -2.80 117.16 109.81 3dx0 n TYR 727 Ca 0.20 0.32 -0.37 0.00 -0.01 0.00 0.00 57.90 58.03 3dx0 n TYR 727 Cb 0.62 -1.05 -0.06 0.00 -0.02 0.00 0.00 39.34 38.83 3dx0 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dx0 s LEU 728 N -7.79 4.46 -0.32 7.72 1.43 -1.22 -0.69 118.68 122.26 3dx0 s LEU 728 Ca -0.31 0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3dx0 s LEU 728 Cb 0.08 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.62 3dx0 s LEU 728 CO 0.55 0.29 0.09 0.12 0.23 0.00 0.00 176.35 177.62 3dx0 s PHE 729 N -1.15 3.21 -0.56 0.29 5.36 -1.14 -2.25 117.98 121.74 3dx0 s PHE 729 Ca 0.26 -1.30 0.06 0.00 -0.96 0.00 0.00 56.93 54.99 3dx0 s PHE 729 Cb -0.16 -2.25 0.22 0.00 -0.34 0.00 0.00 43.02 40.48 3dx0 s PHE 729 CO 0.15 -0.68 0.57 1.28 -1.46 0.00 0.00 175.22 175.07 3dx0 n LEU 730 N 4.82 2.04 -4.76 6.12 4.77 -1.26 -4.65 117.00 124.08 3dx0 n LEU 730 Ca -0.13 -5.04 -0.34 0.00 -0.03 0.00 0.00 56.01 50.47 3dx0 n LEU 730 Cb 0.46 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 3dx0 n LEU 730 CO 0.31 1.96 0.77 -2.16 -1.33 0.00 0.00 177.39 176.94 3dx0 s PRO 731 N -1.52 2.76 -0.84 3.23 0.04 -1.26 -3.96 135.00 133.45 3dx0 s PRO 731 Ca 0.34 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 3dx0 s PRO 731 Cb 0.09 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.83 3dx0 s PRO 731 CO -0.10 -1.31 2.50 0.27 0.04 0.00 0.00 177.00 178.40 3dx0 n ASN 732 N -2.20 7.19 0.00 6.66 6.94 -1.19 -4.76 115.26 127.90 3dx0 n ASN 732 Ca 0.12 -3.27 0.00 0.00 -0.02 0.00 0.00 54.58 51.40 3dx0 n ASN 732 Cb 0.51 -1.26 0.00 0.00 -2.36 0.00 0.00 39.78 36.67 3dx0 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dx0 n GLY 733 N 0.99 1.00 3.61 4.83 0.00 -1.26 -4.86 105.19 109.50 3dx0 n GLY 733 Ca 0.54 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 3dx0 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dx0 n PRO 734 N 0.32 0.09 -2.04 1.61 -0.02 -1.26 -4.81 135.00 128.88 3dx0 n PRO 734 Ca 0.00 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.23 3dx0 n PRO 734 Cb 0.00 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3dx0 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dx0 s ALA 735 N -2.16 2.59 0.02 3.55 0.00 -1.26 -4.93 121.76 119.56 3dx0 s ALA 735 Ca 0.69 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.41 3dx0 s ALA 735 Cb -0.29 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3dx0 s ALA 735 CO 0.55 -1.01 -0.01 -1.12 0.00 0.00 0.00 175.76 174.17 3dx0 s SER 736 N -2.06 5.02 0.39 0.00 0.01 -0.16 -4.84 113.70 112.06 3dx0 s SER 736 Ca 0.71 -0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.63 3dx0 s SER 736 Cb -0.23 -1.27 -0.10 0.00 0.21 0.00 0.00 66.02 64.62 3dx0 s SER 736 CO 0.33 0.26 1.46 -2.84 0.41 0.00 0.00 173.24 172.86 3dx0 s PRO 737 N -1.67 4.05 0.10 12.44 0.02 -1.26 -0.32 135.00 148.37 3dx0 s PRO 737 Ca 0.20 2.51 -0.31 0.00 0.02 0.00 0.00 61.00 63.42 3dx0 s PRO 737 Cb -0.11 -2.92 -0.07 0.00 0.02 0.00 0.00 34.50 31.41 3dx0 s PRO 737 CO 0.11 -0.55 1.35 0.08 -0.33 0.00 0.00 177.00 177.66 3dx0 s VAL 738 N -1.14 3.46 -0.09 3.83 1.01 -0.73 -4.74 120.40 122.01 3dx0 s VAL 738 Ca 0.54 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 3dx0 s VAL 738 Cb -0.45 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3dx0 s VAL 738 CO 0.61 0.08 1.33 -1.61 0.00 0.00 0.00 175.10 175.51 3dx0 s GLU 739 N 1.12 4.27 0.02 2.72 2.02 -1.26 -4.91 118.70 122.68 3dx0 s GLU 739 Ca 0.63 1.80 0.22 0.00 0.02 0.00 0.00 54.97 57.64 3dx0 s GLU 739 Cb -0.35 -3.70 -0.13 0.00 0.10 0.00 0.00 34.13 30.05 3dx0 s GLU 739 CO 0.30 -0.63 0.84 1.28 0.02 0.00 0.00 175.26 177.07 3dx0 n LEU 740 N 6.04 0.54 0.00 1.80 4.77 -1.26 -4.81 117.00 124.08 3dx0 n LEU 740 Ca 0.13 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3dx0 n LEU 740 Cb 0.45 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3dx0 n LEU 740 CO 0.57 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3dx0 n GLY 741 N 1.36 3.23 2.86 -0.72 0.00 -1.26 -3.80 105.19 106.87 3dx0 n GLY 741 Ca 0.01 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3dx0 n GLY 741 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dx0 n GLN 742 N 14.00 1.84 -2.10 1.61 3.00 -1.26 -5.09 117.38 129.38 3dx0 n GLN 742 Ca 0.00 -4.47 -0.34 0.00 -0.01 0.00 0.00 57.00 52.18 3dx0 n GLN 742 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 30.24 27.99 3dx0 n GLN 742 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3dx0 s PRO 743 N -1.50 3.18 -0.01 -1.09 0.04 -1.25 -4.96 135.00 129.41 3dx0 s PRO 743 Ca 0.26 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3dx0 s PRO 743 Cb -0.03 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3dx0 s PRO 743 CO -0.16 -0.97 1.00 0.08 0.04 0.00 0.00 177.00 176.98 3dx0 s VAL 744 N -1.97 4.82 -0.10 -0.36 1.01 -1.26 -4.84 120.40 117.69 3dx0 s VAL 744 Ca 0.71 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.75 3dx0 s VAL 744 Cb -0.23 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 3dx0 s VAL 744 CO 0.32 0.14 -0.23 -0.69 0.00 0.00 0.00 175.10 174.64 3dx0 s VAL 745 N 1.12 2.16 -0.17 2.92 1.01 -0.61 -2.54 120.40 124.29 3dx0 s VAL 745 Ca 0.52 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3dx0 s VAL 745 Cb -0.21 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3dx0 s VAL 745 CO 0.27 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.56 3dx0 s LEU 746 N 0.31 2.46 -0.19 3.92 2.96 0.10 -0.04 118.68 128.20 3dx0 s LEU 746 Ca -0.17 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 3dx0 s LEU 746 Cb -0.18 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3dx0 s LEU 746 CO 0.08 0.06 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.42 3dx0 s VAL 747 N 0.96 3.32 -0.16 1.68 1.01 0.36 -0.88 120.40 126.70 3dx0 s VAL 747 Ca -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3dx0 s VAL 747 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3dx0 s VAL 747 CO -0.02 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.48 3dx0 s THR 748 N 1.12 2.53 -0.21 3.92 2.01 -0.15 -0.23 115.64 124.63 3dx0 s THR 748 Ca 0.01 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3dx0 s THR 748 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.33 3dx0 s THR 748 CO -0.01 0.52 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.54 3dx0 s LYS 749 N 0.88 2.89 0.24 4.92 2.20 -0.20 -0.47 119.74 130.20 3dx0 s LYS 749 Ca -0.04 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.67 3dx0 s LYS 749 Cb -0.15 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 3dx0 s LYS 749 CO -0.02 -0.30 0.09 0.20 -0.36 0.00 0.00 175.35 174.96 3dx0 s GLY 750 N 1.29 1.64 0.21 5.54 0.00 -1.01 -0.92 107.32 114.06 3dx0 s GLY 750 Ca 0.02 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 42.95 3dx0 s GLY 750 CO -0.09 -1.57 1.49 1.70 0.00 0.00 0.00 173.10 174.63 3dx0 h LYS 751 N 2.45 0.27 0.00 2.90 3.64 -1.97 -3.32 116.57 120.54 3dx0 h LYS 751 Ca -0.38 -0.22 -0.37 0.00 -1.27 0.00 0.00 60.65 58.42 3dx0 h LYS 751 Cb 1.24 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.03 3dx0 h LYS 751 CO 0.60 0.86 -2.37 1.28 -2.27 0.00 0.00 179.45 177.55 3dx0 n LEU 752 N -3.82 0.09 -3.67 5.20 4.77 -1.26 -4.53 117.00 113.79 3dx0 n LEU 752 Ca -0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3dx0 n LEU 752 Cb 0.68 0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 42.14 3dx0 n LEU 752 CO 0.46 0.51 0.14 -0.70 -1.33 0.00 0.00 177.39 176.46 3dx0 s GLU 753 N -2.49 0.47 0.28 3.23 2.12 -1.25 -4.51 118.70 116.55 3dx0 s GLU 753 Ca -0.10 0.99 0.08 0.00 0.36 0.00 0.00 54.97 56.30 3dx0 s GLU 753 Cb 0.06 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.54 3dx0 s GLU 753 CO 0.82 -0.18 -0.10 -1.12 -0.54 0.00 0.00 175.26 174.15 3dx0 s SER 754 N 1.78 3.03 0.12 -1.70 0.01 -0.61 -2.41 113.70 113.92 3dx0 s SER 754 Ca -0.08 -1.15 -0.24 0.00 1.31 0.00 0.00 55.95 55.79 3dx0 s SER 754 Cb -0.08 -0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.00 3dx0 s SER 754 CO -0.15 -0.24 0.63 -0.94 0.41 0.00 0.00 173.24 172.95 3dx0 s SER 755 N -3.46 -0.56 -0.11 2.44 1.04 0.38 -0.51 113.70 112.91 3dx0 s SER 755 Ca 0.29 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.81 3dx0 s SER 755 Cb 0.02 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3dx0 s SER 755 CO 0.12 -0.90 -0.15 -0.69 0.98 0.00 0.00 173.24 172.60 3dx0 s VAL 756 N -3.44 1.51 -0.03 5.02 1.01 -0.40 -0.97 120.40 123.10 3dx0 s VAL 756 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3dx0 s VAL 756 Cb -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3dx0 s VAL 756 CO -0.10 0.44 -0.19 -0.44 0.00 0.00 0.00 175.10 174.81 3dx0 s SER 757 N 0.98 2.28 -0.01 3.32 0.01 -0.06 -0.74 113.70 119.48 3dx0 s SER 757 Ca -0.07 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.85 3dx0 s SER 757 Cb -0.15 -0.41 -0.00 0.00 0.21 0.00 0.00 66.02 65.67 3dx0 s SER 757 CO -0.02 0.21 -0.05 0.54 0.41 0.00 0.00 173.24 174.33 3dx0 s VAL 758 N -0.26 0.42 -0.72 3.43 0.11 -0.07 0.02 120.40 123.33 3dx0 s VAL 758 Ca 0.03 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.69 3dx0 s VAL 758 Cb -0.09 -0.37 0.13 0.00 -1.53 0.00 0.00 36.38 34.52 3dx0 s VAL 758 CO 0.01 0.13 0.84 -0.83 -3.33 0.00 0.00 175.10 171.91 3dx0 s GLY 759 N 0.03 1.95 0.38 6.54 0.00 -1.05 -0.90 107.32 114.27 3dx0 s GLY 759 Ca 0.00 -2.54 0.02 0.00 0.00 0.00 0.00 44.72 42.20 3dx0 s GLY 759 CO -0.00 1.66 0.56 1.08 0.00 0.00 0.00 173.10 176.40 3dx0 s LEU 760 N 2.30 3.87 0.03 0.66 1.43 -0.06 -4.40 118.68 122.51 3dx0 s LEU 760 Ca 0.19 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 3dx0 s LEU 760 Cb -0.16 -3.06 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 3dx0 s LEU 760 CO -0.00 -0.49 1.81 -2.84 0.23 0.00 0.00 176.35 175.06 3dx0 s PRO 761 N -4.35 4.16 0.00 1.29 0.02 -1.26 -2.13 135.00 132.72 3dx0 s PRO 761 Ca 0.44 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3dx0 s PRO 761 Cb -0.10 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.49 3dx0 s PRO 761 CO 0.35 -0.87 0.00 0.43 -0.33 0.00 0.00 177.00 176.58 3dx0 n SER 762 N 6.80 0.00 -3.67 2.53 7.64 -1.26 -4.97 113.62 120.69 3dx0 n SER 762 Ca 0.18 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.93 3dx0 n SER 762 Cb 0.41 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.48 3dx0 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dx0 s VAL 763 N -3.43 -0.37 -0.33 0.44 1.01 -0.91 -0.13 120.40 116.68 3dx0 s VAL 763 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 3dx0 s VAL 763 Cb 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3dx0 s VAL 763 CO 0.00 0.11 0.54 -0.69 0.00 0.00 0.00 175.10 175.06 3dx0 s VAL 764 N 2.30 5.00 -0.19 2.92 1.01 -0.35 -0.88 120.40 130.21 3dx0 s VAL 764 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3dx0 s VAL 764 Cb -0.12 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3dx0 s VAL 764 CO -0.08 -0.18 -0.03 -2.28 0.00 0.00 0.00 175.10 172.53 3dx0 s HIS 765 N 2.44 2.99 -0.05 5.22 5.04 -0.08 -0.79 115.29 130.07 3dx0 s HIS 765 Ca 0.20 -0.58 0.03 0.00 -1.54 0.00 0.00 55.06 53.17 3dx0 s HIS 765 Cb -0.15 -2.06 0.00 0.00 0.04 0.00 0.00 32.58 30.42 3dx0 s HIS 765 CO 0.13 -0.30 -0.14 -1.14 -2.34 0.00 0.00 174.74 170.95 3dx0 s GLN 766 N 1.00 1.70 -0.22 2.88 0.74 1.00 -0.89 119.66 125.86 3dx0 s GLN 766 Ca 0.01 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 54.88 3dx0 s GLN 766 Cb -0.14 -1.43 -0.01 0.00 1.10 0.00 0.00 33.01 32.52 3dx0 s GLN 766 CO 0.01 0.13 -0.03 0.99 -0.55 0.00 0.00 175.29 175.84 3dx0 s THR 767 N 0.34 3.48 -0.07 -0.34 2.01 0.08 -0.86 115.64 120.29 3dx0 s THR 767 Ca -0.09 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3dx0 s THR 767 Cb -0.13 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 3dx0 s THR 767 CO 0.03 0.41 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.57 3dx0 s ILE 768 N 1.48 2.71 -0.11 1.82 1.01 0.90 -1.27 121.20 127.75 3dx0 s ILE 768 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3dx0 s ILE 768 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3dx0 s ILE 768 CO -0.02 0.57 -0.18 -0.04 0.00 0.00 0.00 174.94 175.27 3dx0 s MET 769 N -0.34 2.47 0.00 2.79 -1.94 0.33 -0.42 119.30 122.19 3dx0 s MET 769 Ca 0.03 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.35 3dx0 s MET 769 Cb -0.13 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.68 3dx0 s MET 769 CO 0.02 -0.02 0.75 0.54 -0.01 0.00 0.00 175.02 176.31 3dx0 n ARG 770 N 4.07 1.44 0.00 2.03 1.74 -1.26 -1.57 116.66 123.11 3dx0 n ARG 770 Ca -0.20 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 3dx0 n ARG 770 Cb 0.52 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 3dx0 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dx0 n GLY 771 N -0.28 1.09 0.00 -0.13 0.00 -1.26 -4.89 105.19 99.72 3dx0 n GLY 771 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dx0 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx0 n GLY 772 N -0.46 5.41 3.72 -0.02 0.00 -1.26 -3.62 105.19 108.97 3dx0 n GLY 772 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3dx0 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx0 n ALA 773 N -3.00 2.41 -0.98 4.61 0.00 -1.26 -4.61 120.51 117.68 3dx0 n ALA 773 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 3dx0 n ALA 773 Cb 0.00 -2.46 0.14 0.00 0.00 0.00 0.00 19.45 17.13 3dx0 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dx0 s PRO 774 N 0.16 1.44 -0.10 0.00 0.04 -1.24 -4.75 135.00 130.55 3dx0 s PRO 774 Ca 0.69 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 3dx0 s PRO 774 Cb -0.53 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3dx0 s PRO 774 CO 0.42 -2.25 -0.01 -2.00 0.04 0.00 0.00 177.00 173.21 3dx0 s GLU 775 N -4.78 3.15 -0.12 4.56 2.12 0.44 -1.96 118.70 122.12 3dx0 s GLU 775 Ca 0.64 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 3dx0 s GLU 775 Cb -0.20 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 3dx0 s GLU 775 CO 0.57 0.58 -0.08 0.42 -0.54 0.00 0.00 175.26 176.21 3dx0 s ILE 776 N -0.55 3.52 -0.08 -3.70 -1.09 -0.34 -0.07 121.20 118.89 3dx0 s ILE 776 Ca 0.09 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3dx0 s ILE 776 Cb -0.12 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 3dx0 s ILE 776 CO 0.02 0.54 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.95 3dx0 s ARG 777 N 0.00 2.40 -0.22 2.79 0.52 -0.04 -0.77 118.95 123.62 3dx0 s ARG 777 Ca -0.01 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 3dx0 s ARG 777 Cb -0.14 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.49 3dx0 s ARG 777 CO 0.03 0.11 -0.10 -0.80 0.02 0.00 0.00 175.30 174.56 3dx0 s ASN 778 N 0.49 3.97 -0.63 0.23 0.01 -0.18 -0.00 114.94 118.84 3dx0 s ASN 778 Ca -0.17 -0.74 -0.23 0.00 -0.71 0.00 0.00 52.86 51.00 3dx0 s ASN 778 Cb -0.17 -1.62 0.06 0.00 0.41 0.00 0.00 41.25 39.93 3dx0 s ASN 778 CO 0.06 -0.07 0.98 -0.22 -1.51 0.00 0.00 177.10 176.34 3dx0 s LEU 779 N 1.33 4.19 -0.32 0.60 2.96 0.03 -0.92 118.68 126.55 3dx0 s LEU 779 Ca 0.02 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 3dx0 s LEU 779 Cb -0.15 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 3dx0 s LEU 779 CO -0.07 -1.40 0.24 -0.69 -1.32 0.00 0.00 176.35 173.11 3dx0 s VAL 780 N 4.16 5.28 -0.41 1.68 1.01 0.63 -1.21 120.40 131.54 3dx0 s VAL 780 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3dx0 s VAL 780 Cb -0.15 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.70 3dx0 s VAL 780 CO 0.14 0.07 0.22 -0.62 0.00 0.00 0.00 175.10 174.91 3dx0 s ASP 781 N 1.73 3.48 0.17 3.32 2.15 0.82 -1.95 116.67 126.38 3dx0 s ASP 781 Ca 0.07 -2.44 0.20 0.00 0.43 0.00 0.00 52.55 50.81 3dx0 s ASP 781 Cb -0.17 -0.84 0.84 0.00 -0.30 0.00 0.00 42.92 42.45 3dx0 s ASP 781 CO 0.11 -0.29 1.60 0.00 -0.17 0.00 0.00 175.17 176.42 3dx0 n ILE 782 N 3.77 0.94 -0.81 4.11 3.06 -1.26 -4.30 119.36 124.87 3dx0 n ILE 782 Ca 0.09 0.28 0.00 0.00 -2.50 0.00 0.00 62.75 60.62 3dx0 n ILE 782 Cb 0.36 -1.16 0.00 0.00 0.54 0.00 0.00 39.64 39.38 3dx0 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3dx0 n GLY 783 N -0.14 2.22 1.13 4.50 0.00 -1.26 -1.84 105.19 109.80 3dx0 n GLY 783 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3dx0 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dx0 n SER 784 N 5.17 2.81 -4.57 1.61 3.41 -1.26 -4.91 113.62 115.88 3dx0 n SER 784 Ca 0.00 -3.60 -0.27 0.00 -0.26 0.00 0.00 58.87 54.74 3dx0 n SER 784 Cb 0.00 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 3dx0 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dx0 s LEU 785 N -3.16 3.12 0.64 1.04 1.43 -0.76 -4.95 118.68 116.04 3dx0 s LEU 785 Ca 0.44 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3dx0 s LEU 785 Cb 0.39 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3dx0 s LEU 785 CO 0.02 -2.87 1.16 -1.81 0.23 0.00 0.00 176.35 173.07 3dx0 s ASP 786 N 7.63 5.02 -1.40 2.29 1.01 -1.26 -3.56 116.67 126.39 3dx0 s ASP 786 Ca 0.70 2.20 -0.03 0.00 0.71 0.00 0.00 52.55 56.13 3dx0 s ASP 786 Cb -0.05 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.33 3dx0 s ASP 786 CO 0.04 -1.70 0.64 0.59 0.21 0.00 0.00 175.17 174.95 3dx0 n ASN 787 N -2.11 -1.50 -3.97 0.27 3.02 0.38 -4.98 115.26 106.38 3dx0 n ASN 787 Ca 0.12 -0.90 -0.17 0.00 -0.03 0.00 0.00 54.58 53.60 3dx0 n ASN 787 Cb 0.51 -3.58 -0.15 0.00 -0.61 0.00 0.00 39.78 35.95 3dx0 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dx0 s THR 788 N -3.70 0.52 -0.14 3.41 2.01 -0.44 -3.98 115.64 113.32 3dx0 s THR 788 Ca 0.15 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3dx0 s THR 788 Cb -0.08 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3dx0 s THR 788 CO 0.85 0.16 -0.21 -1.61 -0.69 0.00 0.00 174.62 173.12 3dx0 s GLU 789 N 0.04 3.04 -0.22 4.92 2.02 -0.36 -0.91 118.70 127.23 3dx0 s GLU 789 Ca -0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 3dx0 s GLU 789 Cb -0.05 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3dx0 s GLU 789 CO -0.00 -0.03 0.41 0.42 0.02 0.00 0.00 175.26 176.08 3dx0 s ILE 790 N 0.85 5.17 -0.05 -1.63 1.01 -0.19 -1.05 121.20 125.32 3dx0 s ILE 790 Ca -0.06 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.33 3dx0 s ILE 790 Cb -0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3dx0 s ILE 790 CO -0.03 0.21 -0.11 0.54 0.00 0.00 0.00 174.94 175.55 3dx0 s VAL 791 N 1.60 3.34 -0.26 2.92 0.11 -0.17 0.01 120.40 127.96 3dx0 s VAL 791 Ca 0.19 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.49 3dx0 s VAL 791 Cb -0.15 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 3dx0 s VAL 791 CO 0.09 0.57 0.15 -0.32 -3.33 0.00 0.00 175.10 172.26 3dx0 s MET 792 N -0.83 3.89 -0.05 1.54 1.75 -0.36 -1.50 119.30 123.74 3dx0 s MET 792 Ca 0.12 -0.36 0.04 0.00 -1.25 0.00 0.00 55.69 54.24 3dx0 s MET 792 Cb -0.11 -3.54 -0.03 0.00 2.84 0.00 0.00 34.83 34.00 3dx0 s MET 792 CO 0.01 -0.13 -0.14 0.50 -0.65 0.00 0.00 175.02 174.61 3dx0 s ARG 793 N 1.58 2.50 -0.19 4.11 3.52 0.26 -0.92 118.95 129.81 3dx0 s ARG 793 Ca 0.07 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.91 3dx0 s ARG 793 Cb -0.15 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 3dx0 s ARG 793 CO 0.08 0.62 0.03 -0.51 -0.81 0.00 0.00 175.30 174.71 3dx0 s LEU 794 N -0.76 3.57 -0.20 -0.88 1.43 0.13 -0.96 118.68 121.00 3dx0 s LEU 794 Ca 0.12 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3dx0 s LEU 794 Cb -0.11 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3dx0 s LEU 794 CO 0.01 0.13 -0.06 -1.61 0.23 0.00 0.00 176.35 175.05 3dx0 s GLU 795 N 0.59 3.38 0.36 1.70 2.02 -0.01 -1.64 118.70 125.09 3dx0 s GLU 795 Ca 0.01 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3dx0 s GLU 795 Cb -0.13 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 3dx0 s GLU 795 CO 0.02 -0.11 0.16 0.95 0.02 0.00 0.00 175.26 176.29 3dx0 s THR 796 N 1.23 0.46 -0.85 3.63 -4.23 -0.39 -1.25 115.64 114.24 3dx0 s THR 796 Ca 0.03 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.69 3dx0 s THR 796 Cb -0.14 -2.45 0.54 0.00 1.34 0.00 0.00 72.50 71.79 3dx0 s THR 796 CO -0.02 0.00 1.46 1.41 -0.54 0.00 0.00 174.62 176.93 3dx0 n HIS 797 N -0.75 1.01 -1.70 3.99 8.25 -1.26 -4.57 115.22 120.19 3dx0 n HIS 797 Ca -0.02 -0.64 -0.44 0.00 -0.26 0.00 0.00 57.72 56.36 3dx0 n HIS 797 Cb 0.65 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 3dx0 n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3dx0 n ILE 798 N 0.54 0.29 -2.19 1.59 5.41 -1.26 -4.87 119.36 118.86 3dx0 n ILE 798 Ca 0.20 -0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.46 3dx0 n ILE 798 Cb 0.74 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 3dx0 n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3dx0 n ASP 799 N 3.22 5.43 0.09 4.38 2.03 -1.26 -2.67 116.55 127.76 3dx0 n ASP 799 Ca 0.15 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.51 3dx0 n ASP 799 Cb 0.32 -1.48 0.18 0.00 -0.72 0.00 0.00 41.12 39.42 3dx0 n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dx0 h SER 800 N 5.60 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.15 3dx0 h SER 800 Ca 0.47 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3dx0 h SER 800 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3dx0 h SER 800 CO 1.64 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 178.28 3dx0 n GLY 801 N 1.29 3.18 0.58 -0.77 0.00 -1.26 -2.06 105.19 106.15 3dx0 n GLY 801 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3dx0 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx0 n ASP 802 N 9.47 3.02 -4.79 1.61 5.68 -1.26 -3.20 116.55 127.07 3dx0 n ASP 802 Ca 0.00 -2.36 -0.36 0.00 -0.50 0.00 0.00 54.79 51.57 3dx0 n ASP 802 Cb 0.00 -0.30 -0.08 0.00 -1.14 0.00 0.00 41.12 39.60 3dx0 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3dx0 s ILE 803 N -1.65 4.98 0.26 2.12 -1.09 -0.87 0.04 121.20 125.00 3dx0 s ILE 803 Ca 0.26 0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.56 3dx0 s ILE 803 Cb 0.18 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3dx0 s ILE 803 CO 0.11 0.61 0.51 0.72 -1.23 0.00 0.00 174.94 175.66 3dx0 s PHE 804 N -0.92 0.36 -0.03 3.97 -0.71 -0.74 -4.74 117.98 115.18 3dx0 s PHE 804 Ca 0.14 -0.73 0.03 0.00 -1.04 0.00 0.00 56.93 55.33 3dx0 s PHE 804 Cb -0.12 0.24 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 3dx0 s PHE 804 CO 0.03 -1.05 -0.12 0.71 -1.34 0.00 0.00 175.22 173.45 3dx0 s TYR 805 N -3.87 1.22 0.13 3.49 1.51 0.02 0.42 117.35 120.27 3dx0 s TYR 805 Ca 0.22 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3dx0 s TYR 805 Cb -0.01 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 3dx0 s TYR 805 CO 0.10 -0.09 -0.10 0.95 -1.11 0.00 0.00 175.55 175.30 3dx0 s THR 806 N 0.01 1.07 0.42 -0.71 -4.23 -0.99 -0.79 115.64 110.42 3dx0 s THR 806 Ca -0.01 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3dx0 s THR 806 Cb -0.08 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 3dx0 s THR 806 CO 0.01 -0.72 0.63 1.51 -0.54 0.00 0.00 174.62 175.51 3dx0 s ASP 807 N -2.99 5.91 -0.26 3.99 -4.77 -0.98 -0.93 116.67 116.64 3dx0 s ASP 807 Ca 0.14 0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 3dx0 s ASP 807 Cb 0.02 -1.55 0.04 0.00 -1.09 0.00 0.00 42.92 40.34 3dx0 s ASP 807 CO -0.00 -0.61 -0.07 -0.76 0.70 0.00 0.00 175.17 174.42 3dx0 s LEU 808 N -4.47 3.34 -1.52 2.11 1.43 0.48 -4.38 118.68 115.66 3dx0 s LEU 808 Ca 0.47 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3dx0 s LEU 808 Cb -0.10 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3dx0 s LEU 808 CO 0.37 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.37 3dx0 n ASN 809 N 4.58 -4.79 -0.66 2.29 4.13 -1.26 -0.97 115.26 118.57 3dx0 n ASN 809 Ca -0.15 0.17 -0.09 0.00 1.68 0.00 0.00 54.58 56.19 3dx0 n ASN 809 Cb 0.45 -4.10 -0.04 0.00 -1.54 0.00 0.00 39.78 34.55 3dx0 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dx0 n GLY 810 N -0.75 1.01 0.05 7.41 0.00 -1.26 -0.56 105.19 111.09 3dx0 n GLY 810 Ca -0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 3dx0 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dx0 n LEU 811 N -0.99 1.66 -3.57 0.99 7.94 -0.14 -4.90 117.00 117.98 3dx0 n LEU 811 Ca -0.09 -0.03 -0.13 0.00 -1.11 0.00 0.00 56.01 54.65 3dx0 n LEU 811 Cb 0.35 -0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.14 3dx0 n LEU 811 CO 0.13 0.47 0.26 0.00 -1.11 0.00 0.00 177.39 177.14 3dx0 s GLN 812 N -2.21 1.06 -0.13 1.96 -2.07 -1.19 -4.99 119.66 112.09 3dx0 s GLN 812 Ca -0.10 -0.37 -0.02 0.00 -1.82 0.00 0.00 55.36 53.05 3dx0 s GLN 812 Cb 0.03 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.41 3dx0 s GLN 812 CO 0.29 -0.40 -0.06 -0.06 -1.32 0.00 0.00 175.29 173.74 3dx0 s PHE 813 N -2.89 2.96 -0.03 9.60 0.40 -1.26 -0.39 117.98 126.38 3dx0 s PHE 813 Ca -0.03 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3dx0 s PHE 813 Cb -0.00 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3dx0 s PHE 813 CO -0.05 -0.01 -0.21 -1.50 0.70 0.00 0.00 175.22 174.15 3dx0 s ILE 814 N 0.14 2.49 0.08 0.64 2.07 -0.11 -2.04 121.20 124.47 3dx0 s ILE 814 Ca -0.03 -0.97 -0.31 0.00 -1.41 0.00 0.00 60.65 57.93 3dx0 s ILE 814 Cb -0.14 -1.92 -0.07 0.00 0.13 0.00 0.00 42.46 40.46 3dx0 s ILE 814 CO 0.03 0.57 1.29 -0.75 -1.91 0.00 0.00 174.94 174.17 3dx0 s LYS 815 N -0.72 4.38 0.09 3.50 2.20 -0.33 -2.34 119.74 126.52 3dx0 s LYS 815 Ca 0.11 1.90 0.06 0.00 -0.36 0.00 0.00 55.97 57.68 3dx0 s LYS 815 Cb -0.10 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 3dx0 s LYS 815 CO -0.00 -0.35 -0.08 1.03 -0.36 0.00 0.00 175.35 175.59 3dx0 s ARG 816 N 1.16 2.25 -0.14 4.03 1.81 0.17 -4.96 118.95 123.27 3dx0 s ARG 816 Ca 0.61 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 3dx0 s ARG 816 Cb -0.32 -2.37 0.02 0.00 -0.45 0.00 0.00 34.95 31.83 3dx0 s ARG 816 CO 0.29 0.53 -0.14 0.50 -0.68 0.00 0.00 175.30 175.80 3dx0 s ARG 817 N -2.10 2.23 0.19 3.54 3.52 -1.26 -1.79 118.95 123.28 3dx0 s ARG 817 Ca 0.21 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.96 3dx0 s ARG 817 Cb -0.11 -2.05 -0.11 0.00 -1.56 0.00 0.00 34.95 31.12 3dx0 s ARG 817 CO 0.13 -0.23 1.61 0.50 -0.81 0.00 0.00 175.30 176.51 3dx0 s ARG 818 N 1.46 4.18 -0.25 5.12 3.52 0.11 -4.99 118.95 128.10 3dx0 s ARG 818 Ca 0.04 2.45 0.02 0.00 -0.13 0.00 0.00 55.73 58.11 3dx0 s ARG 818 Cb -0.13 -3.12 0.05 0.00 -1.56 0.00 0.00 34.95 30.20 3dx0 s ARG 818 CO -0.10 -0.64 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.13 3dx0 s LEU 819 N 0.92 3.27 0.06 -0.88 1.43 -1.26 -4.91 118.68 117.30 3dx0 s LEU 819 Ca 0.70 -1.25 0.21 0.00 -1.03 0.00 0.00 54.13 52.77 3dx0 s LEU 819 Cb -0.46 -1.56 0.88 0.00 0.03 0.00 0.00 46.19 45.09 3dx0 s LEU 819 CO 0.34 -0.16 1.68 0.47 0.23 0.00 0.00 176.35 178.90 3dx0 n ASP 820 N 4.49 0.18 0.06 2.29 8.00 -1.26 -1.68 116.55 128.63 3dx0 n ASP 820 Ca -0.15 0.53 0.11 0.00 0.71 0.00 0.00 54.79 55.99 3dx0 n ASP 820 Cb 0.44 -0.57 0.46 0.00 -0.02 0.00 0.00 41.12 41.42 3dx0 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3dx0 n LYS 821 N -1.68 0.11 -4.15 -1.24 2.85 -1.26 -4.73 118.16 108.06 3dx0 n LYS 821 Ca 0.05 0.23 -0.28 0.00 -1.05 0.00 0.00 58.31 57.26 3dx0 n LYS 821 Cb 0.26 -1.67 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 3dx0 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3dx0 s LEU 822 N -3.75 3.46 0.88 -5.58 1.43 -0.67 -5.04 118.68 109.40 3dx0 s LEU 822 Ca 0.09 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3dx0 s LEU 822 Cb 0.12 -2.13 0.12 0.00 0.03 0.00 0.00 46.19 44.33 3dx0 s LEU 822 CO 0.44 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 176.07 3dx0 s PRO 823 N -2.75 1.37 0.24 1.29 0.04 -1.26 -4.87 135.00 129.05 3dx0 s PRO 823 Ca 0.27 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 3dx0 s PRO 823 Cb -0.10 -1.80 0.45 0.00 0.04 0.00 0.00 34.50 33.09 3dx0 s PRO 823 CO 0.19 -2.25 1.69 1.25 0.04 0.00 0.00 177.00 177.92 3dx0 h LEU 824 N -1.57 0.03 -1.43 -3.56 6.46 -1.96 -0.62 115.31 112.66 3dx0 h LEU 824 Ca -0.47 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3dx0 h LEU 824 Cb 1.27 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3dx0 h LEU 824 CO 0.50 -0.03 0.00 0.06 -0.62 0.00 0.00 178.44 178.35 3dx0 h GLN 825 N 0.28 0.00 0.00 1.25 -0.00 -1.91 -1.20 115.11 113.53 3dx0 h GLN 825 Ca 0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 59.01 3dx0 h GLN 825 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.17 3dx0 h GLN 825 CO -0.50 0.00 -0.24 0.00 -0.00 0.00 0.00 178.83 178.09 3dx0 h ALA 826 N 2.07 0.89 -0.01 0.06 0.00 -1.45 -3.12 119.26 117.70 3dx0 h ALA 826 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dx0 h ALA 826 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dx0 h ALA 826 CO 0.00 0.30 -0.02 0.09 0.00 0.00 0.00 179.25 179.63 3dx0 n ASN 827 N -3.22 1.05 -4.74 0.00 3.02 -0.46 -4.59 115.26 106.32 3dx0 n ASN 827 Ca 0.02 -1.30 -0.40 0.00 -0.03 0.00 0.00 54.58 52.86 3dx0 n ASN 827 Cb 0.56 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 3dx0 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3dx0 s TYR 828 N -2.04 3.84 0.15 3.10 1.51 -1.18 -4.59 117.35 118.14 3dx0 s TYR 828 Ca 0.40 1.73 0.05 0.00 -1.01 0.00 0.00 57.07 58.24 3dx0 s TYR 828 Cb 0.21 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 3dx0 s TYR 828 CO 0.36 0.31 -0.11 0.71 -1.11 0.00 0.00 175.55 175.70 3dx0 s TYR 829 N -0.38 1.36 0.36 2.71 2.02 -0.06 -4.68 117.35 118.68 3dx0 s TYR 829 Ca 0.43 -0.70 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 3dx0 s TYR 829 Cb -0.23 -0.68 -0.11 0.00 -0.40 0.00 0.00 41.96 40.54 3dx0 s TYR 829 CO 0.28 0.14 1.43 -2.14 -1.57 0.00 0.00 175.55 173.70 3dx0 s PRO 830 N -3.58 4.19 -0.73 -1.71 0.02 -1.26 -1.58 135.00 130.35 3dx0 s PRO 830 Ca 0.17 2.46 0.04 0.00 0.02 0.00 0.00 61.00 63.69 3dx0 s PRO 830 Cb 0.01 -3.00 0.25 0.00 0.02 0.00 0.00 34.50 31.78 3dx0 s PRO 830 CO 0.02 -0.43 0.85 -0.89 -0.33 0.00 0.00 177.00 176.22 3dx0 n ILE 831 N 0.65 2.82 0.27 2.83 2.08 0.87 -4.53 119.36 124.35 3dx0 n ILE 831 Ca 0.01 -5.31 0.13 0.00 0.56 0.00 0.00 62.75 58.14 3dx0 n ILE 831 Cb 0.40 -2.12 0.77 0.00 -0.75 0.00 0.00 39.64 37.94 3dx0 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3dx0 h PRO 832 N 4.55 0.00 0.00 0.38 0.13 -1.78 -2.88 132.00 132.40 3dx0 h PRO 832 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3dx0 h PRO 832 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3dx0 h PRO 832 CO 0.91 0.09 0.00 -1.13 -0.23 0.00 0.00 178.00 177.64 3dx0 n SER 833 N -3.71 0.00 -3.59 1.44 3.41 -1.26 -3.77 113.62 106.14 3dx0 n SER 833 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.54 3dx0 n SER 833 Cb 0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3dx0 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3dx0 s GLY 834 N 0.00 -0.24 0.06 5.00 0.00 -1.26 -0.72 107.32 110.16 3dx0 s GLY 834 Ca 0.00 1.80 -0.12 0.00 0.00 0.00 0.00 44.72 46.40 3dx0 s GLY 834 CO 0.00 0.68 0.28 -3.16 0.00 0.00 0.00 173.10 170.89 3dx0 s MET 835 N -2.07 0.84 0.05 2.90 0.23 -0.32 -2.32 119.30 118.60 3dx0 s MET 835 Ca 0.07 -0.65 -0.16 0.00 -1.03 0.00 0.00 55.69 53.92 3dx0 s MET 835 Cb -0.01 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.68 3dx0 s MET 835 CO -0.05 -0.27 0.37 -0.59 -2.03 0.00 0.00 175.02 172.45 3dx0 s PHE 836 N -3.02 -0.20 0.14 3.16 -0.12 0.03 -0.66 117.98 117.31 3dx0 s PHE 836 Ca -0.02 0.11 0.09 0.00 -0.05 0.00 0.00 56.93 57.07 3dx0 s PHE 836 Cb 0.01 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3dx0 s PHE 836 CO -0.06 -0.55 -0.22 0.96 -0.05 0.00 0.00 175.22 175.30 3dx0 s ILE 837 N -2.57 1.96 0.10 -4.49 -4.36 -0.85 -0.80 121.20 110.19 3dx0 s ILE 837 Ca -0.05 -1.77 -0.15 0.00 -0.26 0.00 0.00 60.65 58.42 3dx0 s ILE 837 Cb -0.01 -1.82 0.03 0.00 1.25 0.00 0.00 42.46 41.91 3dx0 s ILE 837 CO -0.03 -0.10 0.37 -1.83 0.24 0.00 0.00 174.94 173.58 3dx0 s GLU 838 N -2.30 1.00 0.00 0.37 -1.05 -1.26 -1.33 118.70 114.13 3dx0 s GLU 838 Ca 0.13 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 3dx0 s GLU 838 Cb -0.09 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3dx0 s GLU 838 CO 0.06 -0.37 0.00 -0.40 0.95 0.00 0.00 175.26 175.50 3dx0 n ASP 839 N -0.02 1.11 0.24 0.83 5.68 -0.27 -4.21 116.55 119.91 3dx0 n ASP 839 Ca -0.17 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.22 3dx0 n ASP 839 Cb 0.63 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.19 3dx0 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dx0 h ALA 840 N 1.00 1.32 0.00 2.12 0.00 -1.98 -3.34 119.26 118.38 3dx0 h ALA 840 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3dx0 h ALA 840 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dx0 h ALA 840 CO 0.00 0.24 -1.54 0.09 0.00 0.00 0.00 179.25 178.04 3dx0 n ASN 841 N -3.78 3.09 -4.09 0.00 3.02 -1.26 -3.70 115.26 108.54 3dx0 n ASN 841 Ca -0.02 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.30 3dx0 n ASN 841 Cb 0.30 0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 39.89 3dx0 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dx0 s THR 842 N -2.19 1.07 0.03 3.41 2.01 -1.25 -0.08 115.64 118.63 3dx0 s THR 842 Ca -0.05 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.44 3dx0 s THR 842 Cb 0.02 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3dx0 s THR 842 CO 0.31 0.31 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.78 3dx0 s ARG 843 N -0.22 1.12 -0.15 4.92 3.52 -0.25 -1.11 118.95 126.78 3dx0 s ARG 843 Ca 0.03 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3dx0 s ARG 843 Cb -0.06 -1.15 0.02 0.00 -1.56 0.00 0.00 34.95 32.20 3dx0 s ARG 843 CO -0.00 0.29 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.45 3dx0 s LEU 844 N -0.97 1.80 -0.11 -0.88 2.96 -0.44 -0.97 118.68 120.06 3dx0 s LEU 844 Ca 0.04 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3dx0 s LEU 844 Cb -0.08 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 3dx0 s LEU 844 CO 0.01 -0.03 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.99 3dx0 s THR 845 N 1.36 3.11 -0.24 3.68 2.01 0.39 -2.01 115.64 123.94 3dx0 s THR 845 Ca 0.03 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 3dx0 s THR 845 Cb -0.13 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.11 3dx0 s THR 845 CO -0.10 0.54 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.09 3dx0 s LEU 846 N 0.05 3.07 0.02 4.42 2.96 0.16 -0.76 118.68 128.60 3dx0 s LEU 846 Ca -0.05 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 53.08 3dx0 s LEU 846 Cb -0.14 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3dx0 s LEU 846 CO 0.04 -0.10 0.26 -0.76 -1.32 0.00 0.00 176.35 174.47 3dx0 s LEU 847 N 1.37 4.36 0.18 -0.68 2.01 -0.28 -1.17 118.68 124.48 3dx0 s LEU 847 Ca 0.02 0.51 0.10 0.00 0.01 0.00 0.00 54.13 54.77 3dx0 s LEU 847 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 46.19 43.28 3dx0 s LEU 847 CO -0.05 0.24 -0.19 0.42 1.01 0.00 0.00 176.35 177.78 3dx0 s THR 848 N -1.34 2.66 -1.40 5.49 -4.23 0.11 -1.45 115.64 115.48 3dx0 s THR 848 Ca 0.29 -1.88 0.19 0.00 -1.18 0.00 0.00 61.69 59.11 3dx0 s THR 848 Cb -0.13 -2.29 0.68 0.00 1.34 0.00 0.00 72.50 72.10 3dx0 s THR 848 CO 0.18 -0.10 1.58 0.61 -0.54 0.00 0.00 174.62 176.34 3dx0 n GLY 849 N 0.22 2.52 3.56 3.99 0.00 -0.30 -4.76 105.19 110.42 3dx0 n GLY 849 Ca -0.12 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3dx0 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dx0 s GLN 850 N -1.62 0.84 0.09 1.61 0.00 -1.26 -4.74 119.66 114.58 3dx0 s GLN 850 Ca 0.49 0.32 -0.30 0.00 -0.00 0.00 0.00 55.36 55.87 3dx0 s GLN 850 Cb 0.30 0.40 -0.06 0.00 0.00 0.00 0.00 33.01 33.65 3dx0 s GLN 850 CO 0.26 -0.24 1.17 -1.25 0.00 0.00 0.00 175.29 175.24 3dx0 s PRO 851 N -0.89 4.47 0.20 9.60 0.04 -1.25 -4.69 135.00 142.49 3dx0 s PRO 851 Ca -0.06 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 3dx0 s PRO 851 Cb -0.01 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 3dx0 s PRO 851 CO 0.05 -0.17 0.29 -0.51 0.04 0.00 0.00 177.00 176.70 3dx0 s LEU 852 N 0.67 0.85 0.26 -3.56 1.43 -1.09 -4.77 118.68 112.47 3dx0 s LEU 852 Ca 0.56 -1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3dx0 s LEU 852 Cb -0.29 1.08 -0.06 0.00 0.03 0.00 0.00 46.19 46.95 3dx0 s LEU 852 CO 0.31 -0.95 0.55 -0.83 0.23 0.00 0.00 176.35 175.66 3dx0 s GLY 853 N -3.05 2.07 0.15 -3.19 0.00 -0.97 -0.09 107.32 102.23 3dx0 s GLY 853 Ca 0.26 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 3dx0 s GLY 853 CO 0.07 -0.29 0.55 0.61 0.00 0.00 0.00 173.10 174.03 3dx0 n GLY 854 N -0.55 1.07 2.90 0.20 0.00 -0.61 -0.34 105.19 107.86 3dx0 n GLY 854 Ca -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 3dx0 n GLY 854 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dx0 n SER 855 N -1.10 -1.27 -3.66 1.61 2.88 -0.62 -0.88 113.62 110.59 3dx0 n SER 855 Ca -0.03 -1.64 -0.29 0.00 -1.33 0.00 0.00 58.87 55.58 3dx0 n SER 855 Cb 0.34 2.06 -0.15 0.00 -0.75 0.00 0.00 64.21 65.71 3dx0 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3dx0 s SER 856 N -2.86 3.78 0.00 -3.46 0.15 -1.26 -0.86 113.70 109.19 3dx0 s SER 856 Ca 0.18 -1.69 0.27 0.00 0.70 0.00 0.00 55.95 55.41 3dx0 s SER 856 Cb -0.02 -0.71 0.97 0.00 -1.71 0.00 0.00 66.02 64.56 3dx0 s SER 856 CO 0.04 -0.40 1.70 0.18 1.20 0.00 0.00 173.24 175.96 3dx0 n LEU 857 N 4.76 0.69 -3.55 3.45 4.77 -1.26 -4.81 117.00 121.05 3dx0 n LEU 857 Ca -0.01 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 3dx0 n LEU 857 Cb 0.41 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3dx0 n LEU 857 CO 0.11 0.13 0.33 0.00 -1.33 0.00 0.00 177.39 176.63 3dx0 s ALA 858 N -2.54 -1.48 0.21 -1.18 0.00 -1.26 -5.09 121.76 110.42 3dx0 s ALA 858 Ca 0.25 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 3dx0 s ALA 858 Cb 0.19 0.31 -0.14 0.00 0.00 0.00 0.00 23.12 23.48 3dx0 s ALA 858 CO 0.51 -0.48 1.36 0.45 0.00 0.00 0.00 175.76 177.60 3dx0 n SER 859 N 0.51 2.39 0.00 0.00 2.88 -1.19 -1.31 113.62 116.89 3dx0 n SER 859 Ca -0.19 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3dx0 n SER 859 Cb 0.60 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 3dx0 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dx0 n GLY 860 N 2.22 1.16 3.78 0.46 0.00 -1.09 -4.90 105.19 106.83 3dx0 n GLY 860 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3dx0 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx0 s GLU 861 N -0.43 2.87 0.02 1.61 2.02 -0.43 -1.26 118.70 123.09 3dx0 s GLU 861 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3dx0 s GLU 861 Cb 0.00 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 3dx0 s GLU 861 CO 0.00 0.52 -0.10 -0.51 0.02 0.00 0.00 175.26 175.19 3dx0 s LEU 862 N -2.80 2.11 0.02 1.80 1.43 -0.65 -4.50 118.68 116.08 3dx0 s LEU 862 Ca 0.30 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3dx0 s LEU 862 Cb -0.11 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3dx0 s LEU 862 CO 0.23 0.02 0.18 -1.83 0.23 0.00 0.00 176.35 175.17 3dx0 s GLU 863 N -0.74 0.60 -0.13 1.70 -1.05 -0.04 0.18 118.70 119.23 3dx0 s GLU 863 Ca 0.00 -0.51 -0.07 0.00 -0.15 0.00 0.00 54.97 54.24 3dx0 s GLU 863 Cb -0.06 0.25 0.05 0.00 -0.44 0.00 0.00 34.13 33.94 3dx0 s GLU 863 CO 0.00 -0.16 0.31 -1.50 0.95 0.00 0.00 175.26 174.86 3dx0 s ILE 864 N -2.00 -0.09 0.31 1.83 2.07 -0.10 -1.58 121.20 121.64 3dx0 s ILE 864 Ca -0.10 0.14 -0.28 0.00 -1.41 0.00 0.00 60.65 59.00 3dx0 s ILE 864 Cb -0.04 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 41.98 3dx0 s ILE 864 CO -0.01 0.06 1.09 -0.32 -1.91 0.00 0.00 174.94 173.85 3dx0 s MET 865 N 1.45 4.53 -0.26 3.50 -2.45 0.53 -1.23 119.30 125.38 3dx0 s MET 865 Ca -0.08 1.75 -0.03 0.00 -1.25 0.00 0.00 55.69 56.08 3dx0 s MET 865 Cb -0.10 -3.05 -0.16 0.00 1.25 0.00 0.00 34.83 32.76 3dx0 s MET 865 CO -0.10 0.13 -0.23 1.04 1.05 0.00 0.00 175.02 176.91 3dx0 n GLN 866 N 0.92 0.64 -3.62 4.11 1.13 0.10 -4.50 117.38 116.16 3dx0 n GLN 866 Ca 0.00 0.19 -0.07 0.00 -1.94 0.00 0.00 57.00 55.18 3dx0 n GLN 866 Cb 0.46 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 3dx0 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3dx0 s ASP 867 N -6.79 -0.30 -0.11 1.08 -1.08 -1.22 -4.84 116.67 103.41 3dx0 s ASP 867 Ca -0.35 -0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 51.39 3dx0 s ASP 867 Cb 0.10 0.48 0.04 0.00 -1.46 0.00 0.00 42.92 42.08 3dx0 s ASP 867 CO 0.58 -0.83 0.28 0.00 0.52 0.00 0.00 175.17 175.71 3dx0 s ARG 868 N -3.32 0.28 -0.14 4.34 1.70 -1.26 -1.02 118.95 119.53 3dx0 s ARG 868 Ca 0.08 0.48 -0.00 0.00 -0.47 0.00 0.00 55.73 55.82 3dx0 s ARG 868 Cb -0.02 0.02 0.03 0.00 -0.57 0.00 0.00 34.95 34.42 3dx0 s ARG 868 CO -0.04 -0.10 -0.07 0.50 -1.08 0.00 0.00 175.30 174.52 3dx0 s ARG 869 N 0.73 1.49 -0.09 3.89 3.52 -0.08 -4.85 118.95 123.55 3dx0 s ARG 869 Ca -0.05 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 3dx0 s ARG 869 Cb -0.06 -1.79 0.02 0.00 -1.56 0.00 0.00 34.95 31.56 3dx0 s ARG 869 CO -0.05 -0.34 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.51 3dx0 s LEU 870 N 1.67 1.29 0.27 -0.88 1.43 -0.20 -0.47 118.68 121.79 3dx0 s LEU 870 Ca 0.03 -0.28 0.13 0.00 -1.03 0.00 0.00 54.13 52.98 3dx0 s LEU 870 Cb -0.14 -0.79 0.25 0.00 0.03 0.00 0.00 46.19 45.55 3dx0 s LEU 870 CO -0.08 -0.08 1.53 0.00 0.23 0.00 0.00 176.35 177.96 3dx0 h ALA 871 N 7.78 0.77 -2.69 4.21 0.00 -1.89 0.18 119.26 127.62 3dx0 h ALA 871 Ca -0.30 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 3dx0 h ALA 871 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3dx0 h ALA 871 CO 0.42 0.77 -0.48 -1.12 0.00 0.00 0.00 179.25 178.85 3dx0 s SER 872 N -6.61 6.35 0.45 0.00 0.01 -1.26 -4.21 113.70 108.42 3dx0 s SER 872 Ca 0.01 0.21 -0.17 0.00 1.31 0.00 0.00 55.95 57.31 3dx0 s SER 872 Cb 0.10 -1.93 -0.09 0.00 0.21 0.00 0.00 66.02 64.32 3dx0 s SER 872 CO 0.75 0.10 0.91 -0.62 0.41 0.00 0.00 173.24 174.79 3dx0 s ASP 873 N -2.96 6.74 -0.27 2.44 2.15 -1.26 -3.91 116.67 119.60 3dx0 s ASP 873 Ca 0.35 1.51 0.11 0.00 0.43 0.00 0.00 52.55 54.95 3dx0 s ASP 873 Cb -0.12 -2.48 0.54 0.00 -0.30 0.00 0.00 42.92 40.56 3dx0 s ASP 873 CO 0.28 -0.43 1.50 -0.90 -0.17 0.00 0.00 175.17 175.45 3dx0 n ASP 874 N -1.06 3.12 -2.74 -0.34 5.68 -1.26 -4.77 116.55 115.18 3dx0 n ASP 874 Ca 0.06 -3.50 -0.20 0.00 -0.50 0.00 0.00 54.79 50.65 3dx0 n ASP 874 Cb 0.54 -0.63 0.04 0.00 -1.14 0.00 0.00 41.12 39.93 3dx0 n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dx0 n GLU 875 N -0.90 -4.62 0.00 0.11 1.02 -1.26 -4.86 120.64 110.13 3dx0 n GLU 875 Ca 0.32 0.80 0.05 0.00 -0.02 0.00 0.00 57.16 58.31 3dx0 n GLU 875 Cb 1.06 -5.45 0.03 0.00 -0.02 0.00 0.00 31.44 27.05 3dx0 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dx0 n ARG 876 N -3.73 0.81 0.00 3.49 5.12 -1.26 -5.00 116.66 116.09 3dx0 n ARG 876 Ca -0.09 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 3dx0 n ARG 876 Cb 0.60 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 3dx0 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dx0 n GLY 877 N 0.62 1.17 0.23 -0.13 0.00 -1.26 -4.99 105.19 100.82 3dx0 n GLY 877 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3dx0 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dx0 h LEU 878 N 0.00 0.45 1.20 0.99 5.85 -1.94 -3.47 115.31 118.38 3dx0 h LEU 878 Ca 0.00 -0.17 -0.22 0.00 0.84 0.00 0.00 57.88 58.34 3dx0 h LEU 878 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3dx0 h LEU 878 CO 0.00 0.74 -0.25 0.61 -0.34 0.00 0.00 178.44 179.20 3dx0 n GLY 879 N -0.27 0.34 3.52 3.75 0.00 -1.26 -4.85 105.19 106.42 3dx0 n GLY 879 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3dx0 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dx0 s GLN 880 N -4.01 1.37 0.00 1.61 -2.07 -1.26 -5.01 119.66 110.29 3dx0 s GLN 880 Ca 0.00 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 3dx0 s GLN 880 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 3dx0 s GLN 880 CO 0.00 -0.61 0.00 0.41 -1.32 0.00 0.00 175.29 173.77 3dx0 n GLY 881 N -0.39 0.04 3.00 2.60 0.00 -1.25 -4.26 105.19 104.92 3dx0 n GLY 881 Ca -0.14 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 3dx0 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx0 s VAL 882 N 0.53 2.59 -0.07 1.61 1.01 0.65 -4.87 120.40 121.85 3dx0 s VAL 882 Ca 0.00 -2.79 0.10 0.00 0.00 0.00 0.00 61.98 59.29 3dx0 s VAL 882 Cb 0.00 -2.83 0.15 0.00 0.00 0.00 0.00 36.38 33.70 3dx0 s VAL 882 CO 0.00 -0.71 1.05 0.18 0.00 0.00 0.00 175.10 175.62 3dx0 n LEU 883 N 3.73 1.47 -1.37 3.92 4.77 -1.26 -1.03 117.00 127.22 3dx0 n LEU 883 Ca 0.04 -2.16 -0.07 0.00 -0.03 0.00 0.00 56.01 53.79 3dx0 n LEU 883 Cb 0.37 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 3dx0 n LEU 883 CO 0.29 0.51 0.82 -0.90 -1.33 0.00 0.00 177.39 176.77 3dx0 n ASP 884 N -0.82 2.92 -4.66 -1.43 5.75 -1.26 -5.03 116.55 112.01 3dx0 n ASP 884 Ca 0.09 -3.66 -0.39 0.00 -0.01 0.00 0.00 54.79 50.82 3dx0 n ASP 884 Cb 0.61 -0.67 0.04 0.00 -1.03 0.00 0.00 41.12 40.07 3dx0 n ASP 884 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3dx0 n ASN 885 N -1.04 1.64 -4.00 -1.12 4.13 -1.26 -5.04 115.26 108.56 3dx0 n ASN 885 Ca 0.37 0.93 -0.08 0.00 1.68 0.00 0.00 54.58 57.48 3dx0 n ASN 885 Cb 1.16 -1.45 -0.10 0.00 -1.54 0.00 0.00 39.78 37.84 3dx0 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3dx0 s LYS 886 N -2.61 0.49 0.18 3.52 -2.85 -1.26 -4.95 119.74 112.26 3dx0 s LYS 886 Ca 0.71 -0.86 -0.33 0.00 -1.00 0.00 0.00 55.97 54.48 3dx0 s LYS 886 Cb -0.45 0.18 -0.14 0.00 -2.06 0.00 0.00 37.83 35.35 3dx0 s LYS 886 CO 0.51 -0.10 1.45 -2.30 0.10 0.00 0.00 175.35 175.00 3dx0 n PRO 887 N 0.86 1.87 -4.43 1.78 -0.02 -1.26 -4.80 135.00 129.00 3dx0 n PRO 887 Ca -0.19 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3dx0 n PRO 887 Cb 0.58 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.56 3dx0 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dx0 s VAL 888 N 0.41 0.87 -0.51 -1.45 0.11 -0.82 -4.88 120.40 114.12 3dx0 s VAL 888 Ca 0.75 -0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 59.09 3dx0 s VAL 888 Cb -0.72 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 33.48 3dx0 s VAL 888 CO 0.45 0.18 0.47 -0.22 -3.33 0.00 0.00 175.10 172.65 3dx0 s LEU 889 N -0.42 5.84 0.11 2.54 2.96 -1.26 -0.27 118.68 128.18 3dx0 s LEU 889 Ca 0.03 -1.53 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 3dx0 s LEU 889 Cb -0.05 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 3dx0 s LEU 889 CO -0.00 -0.78 0.64 -1.00 -1.32 0.00 0.00 176.35 173.89 3dx0 s HIS 890 N 1.73 3.84 0.10 5.38 3.76 -0.10 -4.91 115.29 125.08 3dx0 s HIS 890 Ca 0.04 1.40 0.09 0.00 -0.15 0.00 0.00 55.06 56.44 3dx0 s HIS 890 Cb -0.27 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 3dx0 s HIS 890 CO 0.05 0.56 -0.22 0.96 -0.85 0.00 0.00 174.74 175.24 3dx0 s ILE 891 N -1.13 1.79 0.12 0.60 -4.36 -1.26 -1.01 121.20 115.95 3dx0 s ILE 891 Ca 0.31 -1.55 -0.09 0.00 -0.26 0.00 0.00 60.65 59.06 3dx0 s ILE 891 Cb -0.21 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 3dx0 s ILE 891 CO 0.22 -0.02 0.24 -0.31 0.24 0.00 0.00 174.94 175.31 3dx0 s TYR 892 N -1.12 0.21 0.08 1.37 1.51 0.05 -1.15 117.35 118.30 3dx0 s TYR 892 Ca 0.08 -0.61 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 3dx0 s TYR 892 Cb -0.10 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 3dx0 s TYR 892 CO 0.04 -0.62 -0.21 1.03 -1.11 0.00 0.00 175.55 174.68 3dx0 s ARG 893 N -3.89 1.27 -0.23 -0.62 1.81 -0.53 -1.20 118.95 115.55 3dx0 s ARG 893 Ca 0.09 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.04 3dx0 s ARG 893 Cb 0.04 -1.47 0.05 0.00 -0.45 0.00 0.00 34.95 33.12 3dx0 s ARG 893 CO -0.07 0.36 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.66 3dx0 s LEU 894 N -1.58 2.65 -0.31 2.53 2.96 -0.83 -1.13 118.68 122.98 3dx0 s LEU 894 Ca 0.07 -1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 52.84 3dx0 s LEU 894 Cb -0.09 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.37 3dx0 s LEU 894 CO 0.03 -0.19 0.02 -0.69 -1.32 0.00 0.00 176.35 174.20 3dx0 s VAL 895 N 1.33 3.03 -0.19 1.68 1.01 0.06 -3.64 120.40 123.68 3dx0 s VAL 895 Ca -0.05 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 3dx0 s VAL 895 Cb -0.18 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3dx0 s VAL 895 CO -0.07 -0.17 0.19 -0.22 0.00 0.00 0.00 175.10 174.83 3dx0 s LEU 896 N 1.24 4.22 -0.01 3.92 2.96 -1.26 -0.46 118.68 129.29 3dx0 s LEU 896 Ca -0.04 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 3dx0 s LEU 896 Cb -0.20 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3dx0 s LEU 896 CO -0.01 0.15 0.18 -1.61 -1.32 0.00 0.00 176.35 173.73 3dx0 s GLU 897 N 0.42 0.49 0.11 1.98 2.02 -0.14 -5.02 118.70 118.56 3dx0 s GLU 897 Ca 0.11 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 3dx0 s GLU 897 Cb -0.12 0.21 -0.06 0.00 0.10 0.00 0.00 34.13 34.26 3dx0 s GLU 897 CO 0.00 -0.12 1.05 0.15 0.02 0.00 0.00 175.26 176.36 3dx0 s LYS 898 N -1.19 4.60 -0.00 1.61 -0.14 -1.26 -1.10 119.74 122.26 3dx0 s LYS 898 Ca -0.13 1.59 0.01 0.00 -1.36 0.00 0.00 55.97 56.08 3dx0 s LYS 898 Cb -0.06 -3.35 0.01 0.00 -1.68 0.00 0.00 37.83 32.74 3dx0 s LYS 898 CO 0.02 0.05 0.87 1.33 -0.76 0.00 0.00 175.35 176.86 3dx0 n VAL 899 N 3.00 0.75 0.30 3.17 0.24 0.88 -4.78 118.33 121.90 3dx0 n VAL 899 Ca 0.04 -0.76 0.19 0.00 -2.04 0.00 0.00 64.34 61.76 3dx0 n VAL 899 Cb 0.48 0.61 0.91 0.00 -1.47 0.00 0.00 33.84 34.37 3dx0 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3dx0 h ASN 900 N 0.00 0.00 0.07 -1.34 -1.07 -1.63 -1.73 115.58 109.88 3dx0 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3dx0 h ASN 900 Cb 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 3dx0 h ASN 900 CO 0.00 0.03 -0.40 0.59 0.07 0.00 0.00 177.43 177.72 3dx0 n ASN 901 N -3.20 1.70 -4.75 6.14 3.02 -1.26 -4.96 115.26 111.95 3dx0 n ASN 901 Ca -0.01 -1.31 -0.40 0.00 -0.03 0.00 0.00 54.58 52.82 3dx0 n ASN 901 Cb 0.20 0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 3dx0 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dx0 s VAL 903 N -1.01 3.91 0.27 0.00 1.01 0.10 -4.98 120.40 119.71 3dx0 s VAL 903 Ca 0.43 0.75 0.07 0.00 0.00 0.00 0.00 61.98 63.23 3dx0 s VAL 903 Cb -0.28 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 3dx0 s VAL 903 CO 0.34 -1.47 0.23 -0.13 0.00 0.00 0.00 175.10 174.07 3dx0 s ARG 904 N 5.22 2.90 0.76 2.72 0.52 -1.26 -4.44 118.95 125.37 3dx0 s ARG 904 Ca 0.41 -1.10 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 3dx0 s ARG 904 Cb -0.08 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 32.89 3dx0 s ARG 904 CO 0.22 0.33 1.21 -2.14 0.02 0.00 0.00 175.30 174.95 3dx0 s PRO 905 N -3.88 1.95 1.14 3.54 0.02 -1.26 -4.93 135.00 131.58 3dx0 s PRO 905 Ca 0.35 1.77 -0.12 0.00 0.02 0.00 0.00 61.00 63.01 3dx0 s PRO 905 Cb -0.07 -1.81 0.27 0.00 0.02 0.00 0.00 34.50 32.90 3dx0 s PRO 905 CO 0.25 -1.98 1.04 -1.54 -0.33 0.00 0.00 177.00 174.45 3dx0 s SER 906 N -2.07 1.15 0.61 2.53 1.04 -1.26 -4.89 113.70 110.82 3dx0 s SER 906 Ca 0.74 1.66 0.38 0.00 0.48 0.00 0.00 55.95 59.21 3dx0 s SER 906 Cb -0.29 -2.38 2.00 0.00 0.10 0.00 0.00 66.02 65.45 3dx0 s SER 906 CO 0.47 -4.12 2.24 0.11 0.98 0.00 0.00 173.24 172.92 3dx0 h LYS 907 N -2.57 0.00 -0.01 4.02 1.57 -2.00 -1.84 116.57 115.74 3dx0 h LYS 907 Ca -0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3dx0 h LYS 907 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3dx0 h LYS 907 CO 0.48 0.02 -0.29 1.28 -0.57 0.00 0.00 179.45 180.37 3dx0 n LEU 908 N -3.25 1.71 -4.73 2.94 4.77 -1.26 -4.91 117.00 112.27 3dx0 n LEU 908 Ca -0.02 -0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 3dx0 n LEU 908 Cb 0.15 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3dx0 n LEU 908 CO 0.24 0.31 0.80 -2.28 -1.33 0.00 0.00 177.39 175.13 3dx0 s HIS 909 N -2.38 3.56 -1.54 -1.77 2.46 -0.69 -4.94 115.29 109.99 3dx0 s HIS 909 Ca 0.24 1.53 0.30 0.00 0.47 0.00 0.00 55.06 57.59 3dx0 s HIS 909 Cb 0.19 -3.29 1.55 0.00 -0.13 0.00 0.00 32.58 30.90 3dx0 s HIS 909 CO 0.50 -0.72 2.05 -0.35 -2.47 0.00 0.00 174.74 173.75 3dx0 n PRO 910 N 3.04 0.52 -3.90 2.88 -0.04 -1.26 -4.89 135.00 131.35 3dx0 n PRO 910 Ca 0.05 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 3dx0 n PRO 910 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 3dx0 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx0 s ALA 911 N -2.46 3.74 0.22 0.55 0.00 -1.26 -1.18 121.76 121.37 3dx0 s ALA 911 Ca 0.31 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.65 3dx0 s ALA 911 Cb 0.20 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3dx0 s ALA 911 CO 0.43 0.05 0.04 0.20 0.00 0.00 0.00 175.76 176.48 3dx0 s GLY 912 N -3.95 1.53 0.01 0.00 0.00 -0.87 -4.75 107.32 99.29 3dx0 s GLY 912 Ca 0.39 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3dx0 s GLY 912 CO 0.26 -1.59 -0.05 -0.19 0.00 0.00 0.00 173.10 171.53 3dx0 s TYR 913 N -3.64 0.43 0.75 1.90 2.02 -1.26 -4.01 117.35 113.54 3dx0 s TYR 913 Ca 0.31 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.69 3dx0 s TYR 913 Cb 0.07 -0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.40 3dx0 s TYR 913 CO 0.09 -0.04 1.08 -0.51 -1.57 0.00 0.00 175.55 174.60 3dx0 s LEU 914 N -0.57 2.99 0.70 -1.29 1.43 -1.26 -4.70 118.68 115.97 3dx0 s LEU 914 Ca -0.03 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.70 3dx0 s LEU 914 Cb -0.04 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 41.80 3dx0 s LEU 914 CO -0.00 -1.86 1.01 0.42 0.23 0.00 0.00 176.35 176.15 3dx0 s THR 915 N -2.97 2.28 0.18 5.49 -4.23 -1.26 -1.22 115.64 113.90 3dx0 s THR 915 Ca 0.60 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.70 3dx0 s THR 915 Cb -0.16 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.77 3dx0 s THR 915 CO 0.56 -0.00 1.72 -1.28 -0.54 0.00 0.00 174.62 175.08 3dx0 h SER 916 N -0.59 0.03 -0.66 3.99 0.87 -1.94 -0.82 113.55 114.42 3dx0 h SER 916 Ca -0.44 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.11 3dx0 h SER 916 Cb 1.32 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 3dx0 h SER 916 CO 0.60 0.05 0.10 0.00 -0.53 0.00 0.00 176.83 177.04 3dx0 h ALA 917 N 1.35 0.91 -0.33 6.23 0.00 -1.99 -0.60 119.26 124.82 3dx0 h ALA 917 Ca 0.23 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3dx0 h ALA 917 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dx0 h ALA 917 CO -0.29 0.67 -0.35 0.00 0.00 0.00 0.00 179.25 179.28 3dx0 h ALA 918 N 1.06 0.76 -0.26 0.00 0.00 -1.85 -0.95 119.26 118.01 3dx0 h ALA 918 Ca 0.20 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3dx0 h ALA 918 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dx0 h ALA 918 CO 0.02 0.66 0.00 1.25 0.00 0.00 0.00 179.25 181.17 3dx0 h HIS 919 N 0.63 0.50 -0.60 0.00 2.76 -0.93 -0.93 115.15 116.58 3dx0 h HIS 919 Ca 0.06 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3dx0 h HIS 919 Cb 0.89 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 3dx0 h HIS 919 CO 0.05 0.61 0.20 0.87 -1.30 0.00 0.00 177.93 178.36 3dx0 h LYS 920 N 0.24 0.90 -0.81 5.26 1.57 -1.04 -0.91 116.57 121.78 3dx0 h LYS 920 Ca 0.07 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dx0 h LYS 920 Cb 0.41 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3dx0 h LYS 920 CO 0.01 0.77 0.52 0.00 -0.57 0.00 0.00 179.45 180.18 3dx0 h ALA 921 N 1.34 1.03 -0.36 3.86 0.00 -0.92 -0.56 119.26 123.64 3dx0 h ALA 921 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dx0 h ALA 921 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dx0 h ALA 921 CO -0.01 0.46 0.12 1.03 0.00 0.00 0.00 179.25 180.85 3dx0 h SER 922 N 1.10 0.52 -0.49 0.00 0.87 -0.45 -2.45 113.55 112.65 3dx0 h SER 922 Ca 0.29 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3dx0 h SER 922 Cb -0.09 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 3dx0 h SER 922 CO -0.06 0.57 0.32 1.56 -0.53 0.00 0.00 176.83 178.70 3dx0 h GLN 923 N 0.43 0.51 0.00 2.24 4.20 -0.71 -1.18 115.11 120.60 3dx0 h GLN 923 Ca 0.12 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3dx0 h GLN 923 Cb 0.24 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3dx0 h GLN 923 CO -0.01 0.34 -0.22 0.66 -0.67 0.00 0.00 178.83 178.93 3dx0 h SER 924 N 0.52 0.00 0.15 1.46 4.64 -0.64 -0.41 113.55 119.27 3dx0 h SER 924 Ca 0.20 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.20 3dx0 h SER 924 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dx0 h SER 924 CO -0.05 0.22 -1.65 -0.07 -0.87 0.00 0.00 176.83 174.41 3dx0 h LEU 925 N 0.00 0.48 0.08 5.97 3.38 -1.04 -3.35 115.31 120.83 3dx0 h LEU 925 Ca -0.00 -0.90 -0.30 0.00 0.09 0.00 0.00 57.88 56.77 3dx0 h LEU 925 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3dx0 h LEU 925 CO 0.03 1.73 -1.56 -0.07 0.09 0.00 0.00 178.44 178.66 3dx0 h LEU 926 N -0.09 0.27 -5.96 1.67 3.38 -1.17 -3.41 115.31 109.99 3dx0 h LEU 926 Ca -0.34 -0.41 -0.54 0.00 0.09 0.00 0.00 57.88 56.67 3dx0 h LEU 926 Cb 1.94 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 42.20 3dx0 h LEU 926 CO 0.11 1.35 -1.03 0.47 0.09 0.00 0.00 178.44 179.43 3dx0 n ASP 927 N -3.36 1.26 -4.42 -0.43 8.00 -0.17 -4.62 116.55 112.81 3dx0 n ASP 927 Ca -0.16 -2.98 -0.29 0.00 0.71 0.00 0.00 54.79 52.06 3dx0 n ASP 927 Cb 1.03 -0.63 0.19 0.00 -0.02 0.00 0.00 41.12 41.69 3dx0 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3dx0 s PRO 928 N -1.96 0.04 0.45 -0.24 0.04 -1.25 -4.72 135.00 127.35 3dx0 s PRO 928 Ca 0.39 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 3dx0 s PRO 928 Cb 0.23 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.97 3dx0 s PRO 928 CO -0.09 -2.93 1.36 1.28 0.04 0.00 0.00 177.00 176.66 3dx0 n LEU 929 N -4.27 4.70 -4.83 -3.56 4.77 -1.26 -4.75 117.00 107.80 3dx0 n LEU 929 Ca 0.08 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.80 3dx0 n LEU 929 Cb 0.58 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 3dx0 n LEU 929 CO 0.53 -0.39 0.27 -1.81 -1.33 0.00 0.00 177.39 174.66 3dx0 s ASP 930 N -0.53 6.96 -0.09 -1.43 1.01 -0.14 -4.91 116.67 117.54 3dx0 s ASP 930 Ca 0.62 1.19 0.04 0.00 0.71 0.00 0.00 52.55 55.11 3dx0 s ASP 930 Cb -0.47 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.13 3dx0 s ASP 930 CO 0.57 0.18 -0.24 -0.54 0.21 0.00 0.00 175.17 175.35 3dx0 s LYS 931 N -1.56 2.94 -0.03 8.23 1.02 -1.26 -1.13 119.74 127.94 3dx0 s LYS 931 Ca 0.34 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.51 3dx0 s LYS 931 Cb -0.17 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3dx0 s LYS 931 CO 0.19 0.22 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.57 3dx0 s PHE 932 N 0.24 1.99 -0.18 3.18 0.40 0.66 -1.21 117.98 123.05 3dx0 s PHE 932 Ca -0.16 -0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3dx0 s PHE 932 Cb -0.17 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 3dx0 s PHE 932 CO 0.08 -0.11 -0.09 0.42 0.70 0.00 0.00 175.22 176.22 3dx0 s ILE 933 N -0.29 3.13 0.15 0.64 1.01 -0.02 -1.02 121.20 124.79 3dx0 s ILE 933 Ca 0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 3dx0 s ILE 933 Cb -0.10 -2.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 3dx0 s ILE 933 CO 0.01 0.47 1.57 0.12 0.00 0.00 0.00 174.94 177.12 3dx0 s PHE 934 N 1.02 2.96 0.06 3.97 5.36 -0.80 -1.69 117.98 128.86 3dx0 s PHE 934 Ca -0.00 0.59 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 3dx0 s PHE 934 Cb -0.15 -3.92 -0.25 0.00 -0.34 0.00 0.00 43.02 38.36 3dx0 s PHE 934 CO -0.01 -3.45 1.06 0.00 -1.46 0.00 0.00 175.22 171.35 3dx0 h ALA 935 N 7.07 0.30 -5.56 11.12 0.00 -1.10 -3.47 119.26 127.61 3dx0 h ALA 935 Ca -0.43 -1.02 -0.39 0.00 0.00 0.00 0.00 54.91 53.08 3dx0 h ALA 935 Cb 1.20 0.08 0.05 0.00 0.00 0.00 0.00 17.79 19.13 3dx0 h ALA 935 CO 0.91 1.17 0.04 0.39 0.00 0.00 0.00 179.25 181.77 3dx0 n GLU 936 N -3.40 0.25 -0.01 0.00 -0.58 -1.26 -5.02 120.64 110.62 3dx0 n GLU 936 Ca -0.09 -2.37 -0.14 0.00 -0.42 0.00 0.00 57.16 54.14 3dx0 n GLU 936 Cb 1.01 -0.42 -0.02 0.00 -0.57 0.00 0.00 31.44 31.43 3dx0 n GLU 936 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3dx0 h ASN 937 N -0.29 0.79 -3.59 1.62 2.35 -1.98 -3.45 115.58 111.03 3dx0 h ASN 937 Ca -0.26 -0.49 -0.38 0.00 -0.55 0.00 0.00 56.30 54.63 3dx0 h ASN 937 Cb 1.02 -0.23 -0.32 0.00 0.05 0.00 0.00 38.32 38.83 3dx0 h ASN 937 CO 0.30 1.26 -0.76 -0.70 -1.65 0.00 0.00 177.43 175.88 3dx0 s GLU 938 N -3.81 0.64 -0.47 0.81 2.12 -1.26 -4.96 118.70 111.77 3dx0 s GLU 938 Ca -0.09 -0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.03 3dx0 s GLU 938 Cb 0.10 -0.67 0.11 0.00 0.26 0.00 0.00 34.13 33.92 3dx0 s GLU 938 CO 0.88 -0.03 0.36 -0.46 -0.54 0.00 0.00 175.26 175.46 3dx0 s TRP 939 N 0.65 3.35 0.00 5.30 -0.00 -1.26 -5.05 118.94 121.93 3dx0 s TRP 939 Ca -0.08 -1.57 -0.27 0.00 -0.00 0.00 0.00 56.10 54.19 3dx0 s TRP 939 Cb -0.11 -3.38 -0.04 0.00 -0.00 0.00 0.00 33.47 29.94 3dx0 s TRP 939 CO -0.00 -0.94 0.83 0.42 -0.00 0.00 0.00 176.95 177.26 3dx0 s ILE 940 N 1.45 4.85 0.00 5.86 1.01 -1.26 -3.43 121.20 129.69 3dx0 s ILE 940 Ca 0.04 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3dx0 s ILE 940 Cb -0.26 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.03 3dx0 s ILE 940 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3dx0 n GLY 941 N 2.77 0.58 3.76 6.18 0.00 -1.26 -4.81 105.19 112.41 3dx0 n GLY 941 Ca 0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3dx0 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx0 n ALA 942 N 0.37 2.08 -2.49 4.61 0.00 -1.22 -0.94 120.51 122.92 3dx0 n ALA 942 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.48 3dx0 n ALA 942 Cb 0.00 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 16.96 3dx0 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dx0 s GLN 943 N -2.34 1.77 0.18 0.00 -0.21 0.13 -4.88 119.66 114.30 3dx0 s GLN 943 Ca 0.59 -1.70 0.19 0.00 0.02 0.00 0.00 55.36 54.46 3dx0 s GLN 943 Cb -0.46 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 3dx0 s GLN 943 CO 0.59 0.34 1.06 0.78 -2.12 0.00 0.00 175.29 175.94 3dx0 h GLY 944 N 2.26 0.00 -4.42 3.09 0.00 -1.93 -3.43 103.07 98.65 3dx0 h GLY 944 Ca -0.41 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3dx0 h GLY 944 CO 0.59 0.00 0.11 1.62 0.00 0.00 0.00 176.54 178.86 3dx0 s GLN 945 N -3.12 0.93 -0.02 4.80 0.74 -1.26 -0.86 119.66 120.87 3dx0 s GLN 945 Ca -0.00 0.46 0.04 0.00 0.05 0.00 0.00 55.36 55.91 3dx0 s GLN 945 Cb 0.08 0.44 -0.01 0.00 1.10 0.00 0.00 33.01 34.63 3dx0 s GLN 945 CO 0.78 -0.23 -0.13 0.12 -0.55 0.00 0.00 175.29 175.28 3dx0 s PHE 946 N -0.65 1.18 0.00 1.67 5.36 -0.34 -4.88 117.98 120.33 3dx0 s PHE 946 Ca -0.07 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 3dx0 s PHE 946 Cb -0.02 -0.78 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 3dx0 s PHE 946 CO 0.06 -0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 3dx0 n GLY 947 N 2.88 0.76 0.32 13.12 0.00 -1.26 -0.89 105.19 120.11 3dx0 n GLY 947 Ca -0.15 -0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.08 3dx0 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dx0 h GLY 948 N 0.00 0.00 -1.77 -0.02 0.00 -1.89 -0.61 103.07 98.78 3dx0 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dx0 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3dx0 n ASP 949 N -2.99 2.84 -4.76 0.19 5.75 -1.26 -4.95 116.55 111.37 3dx0 n ASP 949 Ca -0.03 -1.91 -0.41 0.00 -0.01 0.00 0.00 54.79 52.43 3dx0 n ASP 949 Cb 0.08 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 3dx0 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3dx0 s HIS 950 N -1.83 3.27 0.35 2.11 3.76 -0.24 -4.96 115.29 117.75 3dx0 s HIS 950 Ca 0.33 1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 56.41 3dx0 s HIS 950 Cb 0.21 -3.53 -0.11 0.00 1.11 0.00 0.00 32.58 30.26 3dx0 s HIS 950 CO 0.31 -1.45 1.47 -2.14 -0.85 0.00 0.00 174.74 172.08 3dx0 s PRO 951 N -1.22 4.15 -0.65 8.40 0.02 -1.26 -4.68 135.00 139.76 3dx0 s PRO 951 Ca 0.50 2.51 -0.16 0.00 0.02 0.00 0.00 61.00 63.87 3dx0 s PRO 951 Cb -0.36 -3.00 0.15 0.00 0.02 0.00 0.00 34.50 31.31 3dx0 s PRO 951 CO 0.45 -0.49 0.64 0.45 -0.33 0.00 0.00 177.00 177.72 3dx0 s SER 952 N -0.08 6.37 0.63 2.53 0.15 -1.26 -4.66 113.70 117.39 3dx0 s SER 952 Ca 0.54 -2.00 -0.16 0.00 0.70 0.00 0.00 55.95 55.03 3dx0 s SER 952 Cb -0.46 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 3dx0 s SER 952 CO 0.59 -0.83 1.11 0.00 1.20 0.00 0.00 173.24 175.30 3dx0 s ALA 953 N 1.43 2.54 0.37 5.45 0.00 0.26 -1.95 121.76 129.85 3dx0 s ALA 953 Ca 0.10 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 3dx0 s ALA 953 Cb -0.22 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 3dx0 s ALA 953 CO -0.00 -1.14 0.72 -2.13 0.00 0.00 0.00 175.76 173.21 3dx0 n ARG 954 N -2.19 0.80 0.30 0.00 0.63 -1.26 -4.68 116.66 110.27 3dx0 n ARG 954 Ca 0.10 0.29 0.17 0.00 -0.92 0.00 0.00 57.85 57.49 3dx0 n ARG 954 Cb 0.52 -1.61 0.97 0.00 0.45 0.00 0.00 32.46 32.79 3dx0 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3dx0 h GLU 955 N 1.19 0.00 -0.01 -0.14 4.11 -1.96 -1.13 114.58 116.64 3dx0 h GLU 955 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3dx0 h GLU 955 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3dx0 h GLU 955 CO 0.55 0.01 -0.11 -0.40 0.07 0.00 0.00 179.01 179.12 3dx0 n ASP 956 N -3.66 0.64 -4.83 3.06 5.68 -1.26 -4.85 116.55 111.33 3dx0 n ASP 956 Ca -0.03 -0.76 -0.37 0.00 -0.50 0.00 0.00 54.79 53.13 3dx0 n ASP 956 Cb 0.09 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 39.98 3dx0 n ASP 956 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3dx0 s LEU 957 N -2.39 4.37 0.04 -2.12 2.96 -0.43 -1.09 118.68 120.02 3dx0 s LEU 957 Ca 0.31 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 3dx0 s LEU 957 Cb 0.20 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3dx0 s LEU 957 CO 0.46 0.31 -0.12 -0.62 -1.32 0.00 0.00 176.35 175.05 3dx0 s ASP 958 N -0.64 1.41 -0.90 3.68 2.15 0.49 -4.77 116.67 118.10 3dx0 s ASP 958 Ca 0.17 -0.47 -0.18 0.00 0.43 0.00 0.00 52.55 52.51 3dx0 s ASP 958 Cb -0.13 -0.07 0.15 0.00 -0.30 0.00 0.00 42.92 42.57 3dx0 s ASP 958 CO 0.06 -0.03 1.03 -0.69 -0.17 0.00 0.00 175.17 175.37 3dx0 s VAL 959 N -0.95 4.95 0.28 1.11 1.01 -1.26 -1.36 120.40 124.18 3dx0 s VAL 959 Ca -0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 3dx0 s VAL 959 Cb -0.08 -4.70 0.17 0.00 0.00 0.00 0.00 36.38 31.78 3dx0 s VAL 959 CO 0.01 -1.38 1.85 0.28 0.00 0.00 0.00 175.10 175.86 3dx0 h SER 960 N 8.57 0.82 -3.67 3.32 0.02 -1.19 -3.42 113.55 118.00 3dx0 h SER 960 Ca 0.14 -0.12 -0.31 0.00 -0.84 0.00 0.00 61.79 60.66 3dx0 h SER 960 Cb 1.03 -0.21 -0.31 0.00 0.14 0.00 0.00 62.40 63.05 3dx0 h SER 960 CO 1.02 0.76 -0.74 -0.69 -1.14 0.00 0.00 176.83 176.03 3dx0 s VAL 961 N -5.36 0.19 -0.12 2.27 1.01 -1.09 -4.95 120.40 112.35 3dx0 s VAL 961 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3dx0 s VAL 961 Cb 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.34 3dx0 s VAL 961 CO 0.80 0.10 -0.10 -0.32 0.00 0.00 0.00 175.10 175.58 3dx0 s MET 962 N 0.44 1.75 -0.09 2.72 0.00 -1.26 -0.77 119.30 122.09 3dx0 s MET 962 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 55.69 55.26 3dx0 s MET 962 Cb -0.07 -1.70 0.05 0.00 0.00 0.00 0.00 34.83 33.11 3dx0 s MET 962 CO -0.01 -0.22 0.19 0.50 0.00 0.00 0.00 175.02 175.47 3dx0 s ARG 963 N 1.53 0.07 0.10 4.11 3.52 0.10 -3.32 118.95 125.05 3dx0 s ARG 963 Ca 0.03 0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 55.92 3dx0 s ARG 963 Cb -0.13 -0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 32.99 3dx0 s ARG 963 CO -0.07 -0.29 1.21 0.50 -0.81 0.00 0.00 175.30 175.83 3dx0 s ARG 964 N 2.26 4.45 0.00 5.12 3.52 -1.26 -0.29 118.95 132.74 3dx0 s ARG 964 Ca 0.02 1.81 0.20 0.00 -0.13 0.00 0.00 55.73 57.63 3dx0 s ARG 964 Cb -0.12 -3.31 -0.19 0.00 -1.56 0.00 0.00 34.95 29.77 3dx0 s ARG 964 CO -0.06 -0.21 0.85 1.28 -0.81 0.00 0.00 175.30 176.35 3dx0 n LEU 965 N 3.51 1.04 -4.46 -0.88 4.77 0.61 -4.92 117.00 116.66 3dx0 n LEU 965 Ca 0.08 -0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 55.23 3dx0 n LEU 965 Cb 0.46 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3dx0 n LEU 965 CO 0.56 0.25 -0.51 0.42 -1.33 0.00 0.00 177.39 176.77 3dx0 s THR 966 N -2.79 2.71 0.72 -5.08 -4.23 -1.23 -4.94 115.64 100.80 3dx0 s THR 966 Ca 0.08 -1.54 -0.07 0.00 -1.18 0.00 0.00 61.69 58.99 3dx0 s THR 966 Cb 0.15 -2.23 0.07 0.00 1.34 0.00 0.00 72.50 71.83 3dx0 s THR 966 CO 0.77 0.11 1.04 -0.54 -0.54 0.00 0.00 174.62 175.46 3dx0 s LYS 967 N -2.07 2.09 0.54 3.99 1.02 -1.26 -4.88 119.74 119.17 3dx0 s LYS 967 Ca 0.17 -0.28 0.32 0.00 0.02 0.00 0.00 55.97 56.20 3dx0 s LYS 967 Cb -0.10 -2.15 1.45 0.00 -0.52 0.00 0.00 37.83 36.51 3dx0 s LYS 967 CO 0.09 -1.32 2.03 0.66 -0.92 0.00 0.00 175.35 175.89 3dx0 h SER 968 N -0.67 0.00 0.81 2.83 4.64 -1.97 -2.62 113.55 116.57 3dx0 h SER 968 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3dx0 h SER 968 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3dx0 h SER 968 CO 0.59 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 3dx0 n SER 969 N -3.26 0.18 -4.70 4.97 3.41 -1.26 -4.78 113.62 108.19 3dx0 n SER 969 Ca -0.00 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 3dx0 n SER 969 Cb 0.28 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 3dx0 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dx0 s ALA 970 N -3.05 3.44 0.25 7.33 0.00 -0.99 -4.92 121.76 123.82 3dx0 s ALA 970 Ca 0.09 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 3dx0 s ALA 970 Cb 0.13 -3.48 0.28 0.00 0.00 0.00 0.00 23.12 20.05 3dx0 s ALA 970 CO 0.41 -0.61 1.87 -0.22 0.00 0.00 0.00 175.76 177.21 3dx0 h LYS 971 N 7.17 1.16 -4.57 0.00 3.64 -1.91 -3.36 116.57 118.69 3dx0 h LYS 971 Ca -0.38 -0.14 -0.71 0.00 -1.27 0.00 0.00 60.65 58.15 3dx0 h LYS 971 Cb 1.19 -0.22 -0.24 0.00 -0.41 0.00 0.00 32.23 32.55 3dx0 h LYS 971 CO 0.85 0.86 -0.50 0.99 -2.27 0.00 0.00 179.45 179.38 3dx0 s THR 972 N -5.73 4.68 0.30 1.00 2.01 -1.26 -4.72 115.64 111.92 3dx0 s THR 972 Ca -0.12 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 3dx0 s THR 972 Cb 0.17 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 3dx0 s THR 972 CO 0.82 -0.25 0.99 -1.10 -0.69 0.00 0.00 174.62 174.39 3dx0 s GLN 973 N 1.57 4.60 -0.03 4.92 -1.52 -0.72 -4.85 119.66 123.64 3dx0 s GLN 973 Ca 0.02 1.51 0.03 0.00 -1.95 0.00 0.00 55.36 54.97 3dx0 s GLN 973 Cb -0.19 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 3dx0 s GLN 973 CO 0.07 0.26 -0.10 1.03 -0.25 0.00 0.00 175.29 176.30 3dx0 s ARG 974 N -1.75 1.06 -0.08 2.91 0.52 -1.26 -0.60 118.95 119.75 3dx0 s ARG 974 Ca 0.48 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3dx0 s ARG 974 Cb -0.24 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.26 3dx0 s ARG 974 CO 0.30 0.14 -0.14 0.08 0.02 0.00 0.00 175.30 175.70 3dx0 s VAL 975 N 0.14 1.31 -0.06 3.52 1.01 0.01 -0.29 120.40 126.04 3dx0 s VAL 975 Ca -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3dx0 s VAL 975 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3dx0 s VAL 975 CO 0.01 0.40 0.15 -0.83 0.00 0.00 0.00 175.10 174.82 3dx0 s GLY 976 N 0.79 2.14 -0.03 4.51 0.00 0.60 -0.69 107.32 114.63 3dx0 s GLY 976 Ca -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.91 3dx0 s GLY 976 CO 0.02 -0.53 -0.08 -0.19 0.00 0.00 0.00 173.10 172.32 3dx0 s TYR 977 N -1.16 0.93 -0.21 1.90 1.51 0.38 -0.72 117.35 119.99 3dx0 s TYR 977 Ca 0.21 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 3dx0 s TYR 977 Cb -0.12 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 3dx0 s TYR 977 CO 0.11 -0.14 0.02 0.08 -1.11 0.00 0.00 175.55 174.51 3dx0 s VAL 978 N 0.40 4.07 -0.20 0.71 1.01 0.05 -0.73 120.40 125.72 3dx0 s VAL 978 Ca -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3dx0 s VAL 978 Cb -0.10 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3dx0 s VAL 978 CO 0.01 0.41 -0.02 -0.22 0.00 0.00 0.00 175.10 175.28 3dx0 s LEU 979 N 1.12 3.13 -0.09 3.92 0.20 0.06 -0.57 118.68 126.44 3dx0 s LEU 979 Ca 0.03 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.63 3dx0 s LEU 979 Cb -0.14 -1.79 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 3dx0 s LEU 979 CO 0.02 0.05 -0.23 -2.28 -0.29 0.00 0.00 176.35 173.62 3dx0 s HIS 980 N 1.08 2.42 -0.17 5.38 5.65 -0.46 -1.37 115.29 127.83 3dx0 s HIS 980 Ca 0.02 -0.97 -0.02 0.00 0.25 0.00 0.00 55.06 54.34 3dx0 s HIS 980 Cb -0.14 -1.63 -0.01 0.00 -1.18 0.00 0.00 32.58 29.62 3dx0 s HIS 980 CO 0.01 -0.39 -0.10 0.50 -0.65 0.00 0.00 174.74 174.11 3dx0 s ARG 981 N 0.35 3.37 0.37 2.88 3.52 -0.65 -0.38 118.95 128.41 3dx0 s ARG 981 Ca -0.18 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.72 3dx0 s ARG 981 Cb -0.17 -2.77 0.08 0.00 -1.56 0.00 0.00 34.95 30.53 3dx0 s ARG 981 CO 0.08 0.05 0.51 -2.37 -0.81 0.00 0.00 175.30 172.76 3dx0 n THR 982 N 4.03 0.00 -4.20 4.11 5.66 -0.25 0.11 114.28 123.74 3dx0 n THR 982 Ca -0.18 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.04 3dx0 n THR 982 Cb 0.52 -1.57 -0.17 0.00 -1.55 0.00 0.00 70.33 67.57 3dx0 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3dx0 s ASN 983 N -2.92 2.29 0.00 1.09 2.47 -1.26 -3.58 114.94 113.03 3dx0 s ASN 983 Ca 0.30 -0.37 0.03 0.00 0.42 0.00 0.00 52.86 53.24 3dx0 s ASN 983 Cb -0.01 -0.98 -0.03 0.00 -1.45 0.00 0.00 41.25 38.78 3dx0 s ASN 983 CO 0.21 -0.04 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.74 3dx0 s LEU 984 N 1.28 3.25 0.34 3.21 1.43 -1.26 -4.20 118.68 122.74 3dx0 s LEU 984 Ca -0.02 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 3dx0 s LEU 984 Cb -0.14 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3dx0 s LEU 984 CO -0.05 0.28 1.29 -0.04 0.23 0.00 0.00 176.35 178.06 3dx0 s MET 985 N -1.47 4.30 -0.51 1.70 -1.94 -0.36 -4.97 119.30 116.06 3dx0 s MET 985 Ca 0.18 2.17 -0.28 0.00 -1.71 0.00 0.00 55.69 56.05 3dx0 s MET 985 Cb -0.11 -3.02 0.03 0.00 2.01 0.00 0.00 34.83 33.74 3dx0 s MET 985 CO 0.08 -0.22 1.10 -0.65 -0.01 0.00 0.00 175.02 175.33 3dx0 s GLN 986 N -1.86 3.61 -0.04 2.03 -1.52 -1.26 -4.65 119.66 115.97 3dx0 s GLN 986 Ca 0.50 0.36 0.06 0.00 -1.95 0.00 0.00 55.36 54.33 3dx0 s GLN 986 Cb -0.39 -3.95 0.09 0.00 -0.22 0.00 0.00 33.01 28.54 3dx0 s GLN 986 CO 0.51 -1.44 1.02 0.00 -0.25 0.00 0.00 175.29 175.13 3dx0 n GLY 988 N -0.74 0.91 3.61 0.00 0.00 -1.26 -4.65 105.19 103.05 3dx0 n GLY 988 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3dx0 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dx0 s THR 989 N -2.00 4.96 0.32 2.61 2.01 -1.26 -4.95 115.64 117.33 3dx0 s THR 989 Ca 0.00 0.91 0.01 0.00 0.31 0.00 0.00 61.69 62.92 3dx0 s THR 989 Cb 0.00 -3.97 0.27 0.00 0.01 0.00 0.00 72.50 68.82 3dx0 s THR 989 CO 0.00 -0.08 1.95 -0.65 -0.69 0.00 0.00 174.62 175.15 3dx0 h PRO 990 N 8.11 0.97 -1.52 4.92 0.11 -2.05 -3.46 132.00 139.07 3dx0 h PRO 990 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3dx0 h PRO 990 Cb 1.12 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3dx0 h PRO 990 CO 0.79 0.64 0.00 -1.91 -0.21 0.00 0.00 178.00 177.31 3dx0 n GLU 991 N -4.45 0.00 0.00 1.05 2.13 -1.26 -4.92 120.64 113.18 3dx0 n GLU 991 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3dx0 n GLU 991 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.84 3dx0 n GLU 991 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dx0 n GLU 992 N 0.17 0.00 -2.25 5.31 -0.58 -1.26 -5.02 120.64 117.00 3dx0 n GLU 992 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 3dx0 n GLU 992 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3dx0 n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3dx0 n HIS 993 N 0.00 -0.41 -4.52 -0.32 1.44 -1.26 -5.00 115.22 105.15 3dx0 n HIS 993 Ca 0.00 0.17 -0.25 0.00 -2.01 0.00 0.00 57.72 55.63 3dx0 n HIS 993 Cb 0.00 -0.42 -0.09 0.00 0.12 0.00 0.00 29.99 29.60 3dx0 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3dx0 s THR 994 N -1.45 0.89 0.09 0.61 -4.23 -1.26 -5.06 115.64 105.22 3dx0 s THR 994 Ca 0.03 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3dx0 s THR 994 Cb -0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3dx0 s THR 994 CO 0.16 0.00 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.06 3dx0 s GLN 995 N -3.79 2.25 0.27 3.99 -0.21 -0.82 -4.97 119.66 116.37 3dx0 s GLN 995 Ca 0.26 -0.95 -0.31 0.00 0.02 0.00 0.00 55.36 54.38 3dx0 s GLN 995 Cb 0.05 -2.37 -0.12 0.00 1.00 0.00 0.00 33.01 31.57 3dx0 s GLN 995 CO 0.14 0.53 1.65 1.17 -2.12 0.00 0.00 175.29 176.65 3dx0 n LYS 996 N 0.82 2.75 -3.64 2.91 4.81 -1.26 -4.09 118.16 120.46 3dx0 n LYS 996 Ca -0.13 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 3dx0 n LYS 996 Cb 0.52 -2.79 -0.12 0.00 0.02 0.00 0.00 35.03 32.66 3dx0 n LYS 996 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3dx0 s LEU 997 N 0.08 4.27 -0.44 3.14 2.96 -1.26 -4.87 118.68 122.56 3dx0 s LEU 997 Ca 0.68 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3dx0 s LEU 997 Cb -0.49 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.31 3dx0 s LEU 997 CO 0.43 -0.25 0.28 -0.62 -1.32 0.00 0.00 176.35 174.87 3dx0 s ASP 998 N 1.59 5.50 0.54 3.68 2.15 -1.26 -4.60 116.67 124.27 3dx0 s ASP 998 Ca 0.04 -1.95 0.21 0.00 0.43 0.00 0.00 52.55 51.28 3dx0 s ASP 998 Cb -0.18 -1.93 1.44 0.00 -0.30 0.00 0.00 42.92 41.95 3dx0 s ASP 998 CO 0.06 -0.62 2.15 -0.37 -0.17 0.00 0.00 175.17 176.22 3dx0 h VAL 999 N 6.24 0.82 0.00 1.11 -1.51 -1.95 -2.01 116.25 118.95 3dx0 h VAL 999 Ca -0.18 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 3dx0 h VAL 999 Cb 1.06 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3dx0 h VAL 999 CO 0.78 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 177.09 3dx0 n HIS 1001N -3.15 0.91 0.08 0.00 8.25 -0.76 -4.48 115.22 116.07 3dx0 n HIS 1001Ca -0.00 -0.49 -0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3dx0 n HIS 1001Cb 0.28 -0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.68 3dx0 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dx0 h LEU 1002N 4.04 0.31 -9.45 2.41 3.38 -1.51 -3.42 115.31 111.07 3dx0 h LEU 1002Ca 0.00 -0.09 -0.66 0.00 0.09 0.00 0.00 57.88 57.22 3dx0 h LEU 1002Cb 0.96 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 3dx0 h LEU 1002CO 0.00 0.55 -0.63 -0.76 0.09 0.00 0.00 178.44 177.68 3dx0 s LEU 1003N -8.63 3.59 0.86 1.67 1.43 -1.26 -5.11 118.68 111.22 3dx0 s LEU 1003Ca -0.06 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 3dx0 s LEU 1003Cb 0.14 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.31 3dx0 s LEU 1003CO 0.76 0.24 1.10 -2.16 0.23 0.00 0.00 176.35 176.52 3dx0 s PRO 1004N -1.87 1.59 -1.21 1.29 0.04 -1.26 -4.27 135.00 129.30 3dx0 s PRO 1004Ca 0.23 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 3dx0 s PRO 1004Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3dx0 s PRO 1004CO 0.14 -1.97 0.90 0.09 0.04 0.00 0.00 177.00 176.20 3dx0 n ASN 1005N -3.68 -5.73 -4.74 6.66 5.03 -1.26 -4.78 115.26 106.76 3dx0 n ASN 1005Ca 0.07 -0.41 -0.41 0.00 0.87 0.00 0.00 54.58 54.69 3dx0 n ASN 1005Cb 0.56 -4.40 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 3dx0 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dx0 s VAL 1006N -3.23 2.80 -0.04 2.41 0.11 -1.26 -2.49 120.40 118.70 3dx0 s VAL 1006Ca 0.45 0.67 0.06 0.00 -2.93 0.00 0.00 61.98 60.23 3dx0 s VAL 1006Cb -0.20 -3.43 -0.08 0.00 -1.53 0.00 0.00 36.38 31.14 3dx0 s VAL 1006CO 0.55 0.11 0.14 0.00 -3.33 0.00 0.00 175.10 172.57 3dx0 n ALA 1007N 2.37 2.27 -3.49 1.54 0.00 0.84 -4.90 120.51 119.15 3dx0 n ALA 1007Ca 0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3dx0 n ALA 1007Cb 0.41 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 3dx0 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dx0 s ARG 1008N -2.29 0.89 -0.06 0.00 3.52 -1.17 -4.98 118.95 114.85 3dx0 s ARG 1008Ca -0.02 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.01 3dx0 s ARG 1008Cb 0.04 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.87 3dx0 s ARG 1008CO 0.23 -0.22 -0.07 0.00 -0.81 0.00 0.00 175.30 174.44 3dx0 s GLU 1010N 1.10 1.46 0.10 0.00 2.02 -0.24 -0.78 118.70 122.36 3dx0 s GLU 1010Ca -0.08 -0.60 -0.27 0.00 0.02 0.00 0.00 54.97 54.04 3dx0 s GLU 1010Cb -0.14 -1.38 -0.06 0.00 0.10 0.00 0.00 34.13 32.65 3dx0 s GLU 1010CO -0.01 0.34 0.83 0.50 0.02 0.00 0.00 175.26 176.94 3dx0 s ARG 1011N -0.29 4.59 0.33 1.61 3.52 -0.05 -0.47 118.95 128.18 3dx0 s ARG 1011Ca 0.04 1.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.88 3dx0 s ARG 1011Cb -0.08 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3dx0 s ARG 1011CO -0.00 0.35 0.08 0.95 -0.81 0.00 0.00 175.30 175.87 3dx0 s THR 1012N -0.37 0.95 0.95 4.11 -4.23 -0.03 -0.36 115.64 116.65 3dx0 s THR 1012Ca 0.40 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 3dx0 s THR 1012Cb -0.22 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.11 3dx0 s THR 1012CO 0.26 0.00 1.13 0.35 -0.54 0.00 0.00 174.62 175.82 3dx0 n THR 1013N -0.69 0.00 0.30 3.99 -2.24 -0.69 -3.91 114.28 111.03 3dx0 n THR 1013Ca -0.03 -0.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.88 3dx0 n THR 1013Cb 0.66 -1.00 0.85 0.00 -2.10 0.00 0.00 70.33 68.75 3dx0 n THR 1013CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx0 h LEU 1014N -1.99 0.00 -0.36 3.22 3.38 -1.66 0.03 115.31 117.92 3dx0 h LEU 1014Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3dx0 h LEU 1014Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3dx0 h LEU 1014CO 0.42 0.00 -0.20 0.35 0.09 0.00 0.00 178.44 179.10 3dx0 n THR 1015N -2.82 0.00 -1.00 0.22 -2.24 -1.26 -4.94 114.28 102.24 3dx0 n THR 1015Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3dx0 n THR 1015Cb 0.16 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3dx0 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dx0 n PHE 1016N -0.81 0.00 0.40 4.78 3.72 -0.00 -4.92 117.46 120.63 3dx0 n PHE 1016Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3dx0 n PHE 1016Cb 0.32 -0.81 0.16 0.00 -0.94 0.00 0.00 39.48 38.21 3dx0 n PHE 1016CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3dx0 h LEU 1017N 0.00 0.00 -7.70 4.37 3.38 -1.92 -3.45 115.31 109.98 3dx0 h LEU 1017Ca 0.00 -0.09 -0.39 0.00 0.09 0.00 0.00 57.88 57.49 3dx0 h LEU 1017Cb 0.40 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.81 3dx0 h LEU 1017CO 0.00 0.05 -0.76 -1.58 0.09 0.00 0.00 178.44 176.23 3dx0 s GLN 1018N -3.22 0.66 -0.02 1.13 0.74 -1.26 -5.02 119.66 112.68 3dx0 s GLN 1018Ca 0.05 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.11 3dx0 s GLN 1018Cb 0.11 -0.72 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 3dx0 s GLN 1018CO 0.71 -0.09 1.05 -0.80 -0.55 0.00 0.00 175.29 175.61 3dx0 s ASN 1019N 0.93 7.25 -0.10 6.67 0.01 -1.26 -1.70 114.94 126.74 3dx0 s ASN 1019Ca -0.11 1.72 0.11 0.00 -0.71 0.00 0.00 52.86 53.87 3dx0 s ASN 1019Cb -0.14 -2.57 -0.16 0.00 0.41 0.00 0.00 41.25 38.80 3dx0 s ASN 1019CO -0.00 -0.37 0.08 0.18 -1.51 0.00 0.00 177.10 175.47 3dx0 n LEU 1020N 4.27 0.00 -3.66 0.60 4.77 0.52 -4.97 117.00 118.53 3dx0 n LEU 1020Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 3dx0 n LEU 1020Cb 0.49 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.75 3dx0 n LEU 1020CO 0.53 0.25 0.27 -0.70 -1.33 0.00 0.00 177.39 176.41 3dx0 s GLU 1021N -2.37 0.63 -0.28 3.23 2.12 -1.08 -4.98 118.70 115.98 3dx0 s GLU 1021Ca -0.06 1.05 -0.17 0.00 0.36 0.00 0.00 54.97 56.15 3dx0 s GLU 1021Cb 0.04 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 3dx0 s GLU 1021CO 0.50 -0.14 0.48 -1.58 -0.54 0.00 0.00 175.26 173.97 3dx0 s HIS 1022N 1.32 3.24 -0.19 5.30 5.65 -1.26 -0.87 115.29 128.48 3dx0 s HIS 1022Ca -0.08 0.49 -0.17 0.00 0.25 0.00 0.00 55.06 55.55 3dx0 s HIS 1022Cb -0.06 -2.72 -0.04 0.00 -1.18 0.00 0.00 32.58 28.59 3dx0 s HIS 1022CO -0.14 -0.32 0.45 -0.51 -0.65 0.00 0.00 174.74 173.58 3dx0 s LEU 1023N 2.26 4.16 0.21 8.88 1.43 0.04 -5.00 118.68 130.66 3dx0 s LEU 1023Ca 0.19 0.60 -0.32 0.00 -1.03 0.00 0.00 54.13 53.57 3dx0 s LEU 1023Cb -0.16 -2.60 -0.13 0.00 0.03 0.00 0.00 46.19 43.33 3dx0 s LEU 1023CO 0.10 -0.11 1.50 0.47 0.23 0.00 0.00 176.35 178.53 3dx0 n ASP 1024N 4.54 2.98 -0.27 2.29 8.00 -1.26 -1.63 116.55 131.20 3dx0 n ASP 1024Ca -0.07 1.12 -0.03 0.00 0.71 0.00 0.00 54.79 56.51 3dx0 n ASP 1024Cb 0.51 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 3dx0 n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx0 n GLY 1025N 2.73 0.49 3.60 0.44 0.00 -1.26 -2.65 105.19 108.54 3dx0 n GLY 1025Ca 0.14 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3dx0 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dx0 n MET 1026N -0.95 -5.85 -4.65 1.61 2.81 -0.65 -4.98 117.12 104.45 3dx0 n MET 1026Ca -0.03 0.71 -0.33 0.00 -1.81 0.00 0.00 57.70 56.23 3dx0 n MET 1026Cb 0.36 -5.62 -0.15 0.00 -0.71 0.00 0.00 33.22 27.10 3dx0 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3dx0 s VAL 1027N -3.24 2.91 -0.37 2.03 1.01 -1.08 -4.60 120.40 117.06 3dx0 s VAL 1027Ca 0.55 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 3dx0 s VAL 1027Cb -0.26 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3dx0 s VAL 1027CO 0.68 0.52 0.66 0.00 0.00 0.00 0.00 175.10 176.95 3dx0 s ALA 1028N 0.58 3.43 0.70 5.51 0.00 -1.26 -4.69 121.76 126.02 3dx0 s ALA 1028Ca -0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 3dx0 s ALA 1028Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3dx0 s ALA 1028CO 0.03 -1.44 1.19 -2.14 0.00 0.00 0.00 175.76 173.40 3dx0 s PRO 1029N 2.79 2.37 0.69 0.00 0.02 -1.26 -4.50 135.00 135.12 3dx0 s PRO 1029Ca 0.25 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.86 3dx0 s PRO 1029Cb -0.14 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3dx0 s PRO 1029CO 0.16 -1.64 1.06 -1.21 -0.33 0.00 0.00 177.00 175.04 3dx0 s GLU 1030N -3.87 2.95 0.36 5.54 2.02 -1.26 -5.00 118.70 119.43 3dx0 s GLU 1030Ca 0.73 0.93 0.01 0.00 0.02 0.00 0.00 54.97 56.66 3dx0 s GLU 1030Cb -0.28 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.93 3dx0 s GLU 1030CO 0.43 -1.09 0.55 0.14 0.02 0.00 0.00 175.26 175.32 3dx0 s VAL 1031N -3.06 4.90 0.67 2.63 -7.23 -1.26 -5.10 120.40 111.95 3dx0 s VAL 1031Ca 0.58 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 3dx0 s VAL 1031Cb -0.14 -3.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.02 3dx0 s VAL 1031CO 0.55 -0.50 1.06 0.00 -0.31 0.00 0.00 175.10 175.91 3dx0 n PRO 1033N -2.82 1.72 -0.98 0.00 -0.02 -1.26 -1.37 135.00 130.27 3dx0 n PRO 1033Ca 0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dx0 n PRO 1033Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3dx0 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dx0 n MET 1034N 2.39 -0.54 -4.04 -0.52 2.81 0.12 -4.93 117.12 112.41 3dx0 n MET 1034Ca 0.15 0.14 -0.25 0.00 -1.81 0.00 0.00 57.70 55.93 3dx0 n MET 1034Cb 0.27 -3.56 -0.04 0.00 -0.71 0.00 0.00 33.22 29.18 3dx0 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3dx0 s GLU 1035N -0.58 3.12 -0.02 0.03 0.41 -0.47 -4.94 118.70 116.25 3dx0 s GLU 1035Ca 0.00 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 53.76 3dx0 s GLU 1035Cb 0.00 -2.75 0.01 0.00 -1.78 0.00 0.00 34.13 29.61 3dx0 s GLU 1035CO 0.00 0.47 -0.04 0.99 -0.49 0.00 0.00 175.26 176.20 3dx0 s THR 1036N -1.84 0.40 0.12 3.63 2.01 -1.26 -1.64 115.64 117.06 3dx0 s THR 1036Ca 0.33 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.22 3dx0 s THR 1036Cb -0.10 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3dx0 s THR 1036CO 0.26 0.16 -0.03 0.00 -0.69 0.00 0.00 174.62 174.31 3dx0 s ALA 1037N 0.48 1.06 0.04 7.40 0.00 -0.47 -4.99 121.76 125.28 3dx0 s ALA 1037Ca -0.06 -1.43 0.07 0.00 0.00 0.00 0.00 51.96 50.55 3dx0 s ALA 1037Cb -0.09 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3dx0 s ALA 1037CO -0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 175.76 175.26 3dx0 s ALA 1038N -3.69 1.77 0.03 0.00 0.00 -1.25 -0.76 121.76 117.87 3dx0 s ALA 1038Ca 0.16 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3dx0 s ALA 1038Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3dx0 s ALA 1038CO -0.02 0.40 -0.08 0.71 0.00 0.00 0.00 175.76 176.78 3dx0 s TYR 1039N -0.80 0.65 -0.12 0.00 2.02 0.10 -0.85 117.35 118.34 3dx0 s TYR 1039Ca 0.08 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3dx0 s TYR 1039Cb -0.09 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 3dx0 s TYR 1039CO 0.02 -0.07 -0.16 0.08 -1.57 0.00 0.00 175.55 173.85 3dx0 s VAL 1040N -1.16 1.61 -0.11 0.71 1.01 0.38 -0.47 120.40 122.36 3dx0 s VAL 1040Ca -0.08 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3dx0 s VAL 1040Cb -0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3dx0 s VAL 1040CO 0.00 0.46 0.18 -0.94 0.00 0.00 0.00 175.10 174.80 3dx0 s SER 1041N 1.03 6.44 -0.05 3.32 1.04 0.14 -1.07 113.70 124.54 3dx0 s SER 1041Ca -0.05 0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.93 3dx0 s SER 1041Cb -0.15 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 3dx0 s SER 1041CO -0.03 0.39 -0.09 -0.44 0.98 0.00 0.00 173.24 174.05 3dx0 s SER 1042N -0.98 4.48 -0.04 7.02 0.01 -0.10 -0.81 113.70 123.28 3dx0 s SER 1042Ca 0.16 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3dx0 s SER 1042Cb -0.13 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.06 3dx0 s SER 1042CO 0.05 0.34 -0.04 -1.00 0.41 0.00 0.00 173.24 173.00 3dx0 s HIS 1043N -0.83 0.66 -0.98 2.43 3.76 0.24 -0.11 115.29 120.46 3dx0 s HIS 1043Ca 0.13 -0.16 0.27 0.00 -0.15 0.00 0.00 55.06 55.14 3dx0 s HIS 1043Cb -0.11 -0.60 0.86 0.00 1.11 0.00 0.00 32.58 33.84 3dx0 s HIS 1043CO 0.02 -0.17 1.67 -1.13 -0.85 0.00 0.00 174.74 174.29 3dx0 n SER 1044N 3.98 0.28 0.00 1.40 3.41 -1.04 -1.75 113.62 119.90 3dx0 n SER 1044Ca -0.25 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3dx0 n SER 1044Cb 0.51 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3dx0 n SER 1044CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68