#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx2 s GLN 32 N -0.99 3.79 -0.25 0.00 -0.21 -1.26 -4.98 119.66 115.75 3dx2 s GLN 32 Ca 0.45 2.42 -0.29 0.00 0.02 0.00 0.00 55.36 57.97 3dx2 s GLN 32 Cb -0.29 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.01 3dx2 s GLN 32 CO 0.36 -0.74 1.02 0.34 -2.12 0.00 0.00 175.29 174.16 3dx2 s ASP 33 N -0.46 7.04 0.00 5.90 -1.08 -1.26 -4.86 116.67 121.95 3dx2 s ASP 33 Ca 0.59 1.29 0.22 0.00 -0.52 0.00 0.00 52.55 54.13 3dx2 s ASP 33 Cb -0.44 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.01 3dx2 s ASP 33 CO 0.57 -0.69 1.44 1.33 0.52 0.00 0.00 175.17 178.34 3dx2 n VAL 34 N 5.40 0.39 -0.05 1.11 0.24 -1.26 -4.39 118.33 119.78 3dx2 n VAL 34 Ca 0.11 -0.61 -0.08 0.00 -2.04 0.00 0.00 64.34 61.73 3dx2 n VAL 34 Cb 0.46 0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 33.58 3dx2 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3dx2 n VAL 35 N 1.10 0.53 0.88 3.34 0.31 -1.26 -4.86 118.33 118.37 3dx2 n VAL 35 Ca 0.18 -0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.43 3dx2 n VAL 35 Cb 0.51 -1.17 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 3dx2 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dx2 n GLN 36 N -3.05 1.02 -3.95 5.55 6.02 -1.26 -4.18 117.38 117.52 3dx2 n GLN 36 Ca -0.18 -0.27 -0.34 0.00 -0.01 0.00 0.00 57.00 56.21 3dx2 n GLN 36 Cb 0.66 -1.38 -0.14 0.00 1.02 0.00 0.00 30.24 30.40 3dx2 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dx2 s ASP 37 N -2.60 4.57 -0.25 1.08 1.01 -1.26 -4.89 116.67 114.33 3dx2 s ASP 37 Ca 0.10 -1.10 -0.29 0.00 0.71 0.00 0.00 52.55 51.96 3dx2 s ASP 37 Cb 0.15 -1.67 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 3dx2 s ASP 37 CO 0.69 -0.19 1.34 -0.69 0.21 0.00 0.00 175.17 176.53 3dx2 s VAL 38 N 1.27 4.10 0.44 -1.27 1.01 -1.26 -4.76 120.40 119.93 3dx2 s VAL 38 Ca -0.03 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 3dx2 s VAL 38 Cb -0.18 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 3dx2 s VAL 38 CO -0.03 -0.36 1.42 -2.84 0.00 0.00 0.00 175.10 173.29 3dx2 s PRO 39 N 4.07 3.74 -0.42 2.72 0.02 -1.26 -4.96 135.00 138.91 3dx2 s PRO 39 Ca 0.58 2.40 -0.19 0.00 0.02 0.00 0.00 61.00 63.81 3dx2 s PRO 39 Cb -0.19 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.66 3dx2 s PRO 39 CO 0.22 -0.77 0.54 1.21 -0.33 0.00 0.00 177.00 177.87 3dx2 s ASN 40 N -0.51 6.27 0.17 2.53 2.47 -1.26 -5.05 114.94 119.55 3dx2 s ASN 40 Ca 0.60 -0.43 0.07 0.00 0.42 0.00 0.00 52.86 53.52 3dx2 s ASN 40 Cb -0.43 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.05 3dx2 s ASN 40 CO 0.56 -0.65 -0.15 0.68 -3.72 0.00 0.00 177.10 173.82 3dx2 s VAL 41 N 2.48 1.58 0.17 -5.21 -7.23 -1.26 -5.05 120.40 105.88 3dx2 s VAL 41 Ca 0.18 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 3dx2 s VAL 41 Cb -0.15 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3dx2 s VAL 41 CO 0.16 -0.51 1.50 0.44 -0.31 0.00 0.00 175.10 176.38 3dx2 h ASP 42 N 2.97 0.80 -3.17 4.85 3.32 -1.74 -3.42 116.42 120.03 3dx2 h ASP 42 Ca -0.39 -0.39 -0.54 0.00 0.02 0.00 0.00 57.03 55.73 3dx2 h ASP 42 Cb 1.21 -0.23 -0.37 0.00 0.22 0.00 0.00 39.33 40.17 3dx2 h ASP 42 CO 0.57 1.13 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.72 3dx2 s VAL 43 N -4.21 1.16 -0.20 -1.35 1.01 -0.39 -4.99 120.40 111.42 3dx2 s VAL 43 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3dx2 s VAL 43 Cb 0.11 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.37 3dx2 s VAL 43 CO 0.86 0.39 -0.15 -1.58 0.00 0.00 0.00 175.10 174.62 3dx2 s GLN 44 N 1.64 2.94 0.40 2.72 -0.44 -1.26 -1.16 119.66 124.49 3dx2 s GLN 44 Ca 0.05 -0.88 0.09 0.00 -2.50 0.00 0.00 55.36 52.12 3dx2 s GLN 44 Cb -0.13 -2.73 0.82 0.00 -1.64 0.00 0.00 33.01 29.33 3dx2 s GLN 44 CO -0.09 -0.27 1.95 0.52 0.50 0.00 0.00 175.29 177.90 3dx2 h MET 45 N 7.96 0.29 -0.37 1.67 2.86 -1.44 0.29 114.93 126.19 3dx2 h MET 45 Ca -0.41 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 3dx2 h MET 45 Cb 1.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3dx2 h MET 45 CO 0.61 0.36 0.12 1.25 1.06 0.00 0.00 176.91 180.30 3dx2 h LEU 46 N 0.28 0.54 -0.16 1.22 5.85 -1.93 -0.14 115.31 120.99 3dx2 h LEU 46 Ca 0.06 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3dx2 h LEU 46 Cb 0.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3dx2 h LEU 46 CO 0.01 0.60 0.10 -0.08 -0.34 0.00 0.00 178.44 178.73 3dx2 h GLU 47 N 0.46 0.21 -0.30 1.25 4.22 -1.70 -1.60 114.58 117.11 3dx2 h GLU 47 Ca 0.12 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.59 3dx2 h GLU 47 Cb 0.25 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3dx2 h GLU 47 CO -0.00 0.18 0.06 1.25 -2.18 0.00 0.00 179.01 178.31 3dx2 h LEU 48 N 0.19 0.01 -1.09 1.64 5.85 -0.90 -1.10 115.31 119.91 3dx2 h LEU 48 Ca 0.06 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3dx2 h LEU 48 Cb 0.02 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3dx2 h LEU 48 CO -0.01 0.04 0.61 1.88 -0.34 0.00 0.00 178.44 180.62 3dx2 h TYR 49 N 0.17 1.04 -0.17 1.25 -1.99 -0.79 0.22 116.97 116.69 3dx2 h TYR 49 Ca 0.14 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 3dx2 h TYR 49 Cb 0.15 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3dx2 h TYR 49 CO -0.17 0.37 -0.19 0.22 -0.00 0.00 0.00 178.16 178.40 3dx2 h ASP 50 N 0.87 0.29 0.30 3.88 3.58 -0.20 -3.23 116.42 121.90 3dx2 h ASP 50 Ca 0.50 -0.07 -0.30 0.00 0.42 0.00 0.00 57.03 57.57 3dx2 h ASP 50 Cb 0.63 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 3dx2 h ASP 50 CO -0.27 0.49 -1.96 0.54 -2.88 0.00 0.00 179.24 175.17 3dx2 n ARG 51 N -4.21 0.65 -2.12 0.28 1.74 -0.87 -5.01 116.66 107.13 3dx2 n ARG 51 Ca -0.01 0.15 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 3dx2 n ARG 51 Cb 0.32 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3dx2 n ARG 51 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3dx2 s MET 52 N -2.62 3.15 0.05 5.56 -1.94 0.01 -5.02 119.30 118.50 3dx2 s MET 52 Ca -0.07 1.69 -0.15 0.00 -1.71 0.00 0.00 55.69 55.45 3dx2 s MET 52 Cb 0.07 -1.97 -0.30 0.00 2.01 0.00 0.00 34.83 34.64 3dx2 s MET 52 CO 0.83 -1.03 1.09 1.03 -0.01 0.00 0.00 175.02 176.93 3dx2 h SER 53 N 0.99 0.89 0.00 3.03 0.87 -1.90 -3.49 113.55 113.94 3dx2 h SER 53 Ca -0.50 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 3dx2 h SER 53 Cb 1.28 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3dx2 h SER 53 CO 0.56 1.64 0.00 0.49 -0.53 0.00 0.00 176.83 178.98 3dx2 n PHE 54 N -3.78 0.00 -1.97 2.24 3.01 -1.26 -4.98 117.46 110.72 3dx2 n PHE 54 Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.91 3dx2 n PHE 54 Cb 1.01 -1.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.10 3dx2 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3dx2 s LYS 55 N -1.21 4.24 -1.04 -1.08 -0.14 -1.26 -4.91 119.74 114.35 3dx2 s LYS 55 Ca 0.00 2.38 -0.10 0.00 -1.36 0.00 0.00 55.97 56.89 3dx2 s LYS 55 Cb 0.00 -3.04 0.26 0.00 -1.68 0.00 0.00 37.83 33.37 3dx2 s LYS 55 CO 0.00 -0.38 1.02 0.34 -0.76 0.00 0.00 175.35 175.57 3dx2 s ASP 56 N -0.13 7.13 0.03 2.83 2.15 -1.26 -5.03 116.67 122.40 3dx2 s ASP 56 Ca 0.53 -3.40 -0.00 0.00 0.43 0.00 0.00 52.55 50.11 3dx2 s ASP 56 Cb -0.43 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 3dx2 s ASP 56 CO 0.54 -0.35 0.16 0.27 -0.17 0.00 0.00 175.17 175.63 3dx2 s ILE 57 N -0.95 5.17 -0.23 4.11 -4.36 -1.26 -5.04 121.20 118.64 3dx2 s ILE 57 Ca 0.28 -0.39 -0.29 0.00 -0.26 0.00 0.00 60.65 59.99 3dx2 s ILE 57 Cb -0.10 -3.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 3dx2 s ILE 57 CO -0.08 0.22 1.59 -0.62 0.24 0.00 0.00 174.94 176.29 3dx2 s ASP 58 N -2.21 6.39 0.00 4.36 -1.08 -1.26 -4.62 116.67 118.25 3dx2 s ASP 58 Ca 0.30 1.57 0.24 0.00 -0.52 0.00 0.00 52.55 54.14 3dx2 s ASP 58 Cb -0.13 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.47 3dx2 s ASP 58 CO 0.22 -1.25 1.52 0.61 0.52 0.00 0.00 175.17 176.79 3dx2 n GLY 59 N 4.65 0.60 0.00 2.66 0.00 0.47 -5.02 105.19 108.55 3dx2 n GLY 59 Ca 0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3dx2 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx2 n GLY 60 N 1.26 0.87 0.36 -0.02 0.00 -1.26 -3.73 105.19 102.66 3dx2 n GLY 60 Ca 0.17 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 3dx2 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dx2 h VAL 61 N 0.00 1.21 -2.17 1.61 -1.51 -1.93 -2.95 116.25 110.52 3dx2 h VAL 61 Ca 0.00 -0.39 -0.64 0.00 -1.23 0.00 0.00 66.70 64.44 3dx2 h VAL 61 Cb 0.00 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 29.02 3dx2 h VAL 61 CO 0.00 0.21 0.93 0.86 -1.23 0.00 0.00 177.57 178.34 3dx2 s TRP 62 N -5.92 2.79 0.35 5.19 -0.00 -1.20 -4.50 118.94 115.65 3dx2 s TRP 62 Ca -0.12 -0.92 0.08 0.00 -0.00 0.00 0.00 56.10 55.14 3dx2 s TRP 62 Cb 0.18 -4.41 0.78 0.00 -0.00 0.00 0.00 33.47 30.02 3dx2 s TRP 62 CO 0.79 -1.69 1.87 0.87 -0.00 0.00 0.00 176.95 178.80 3dx2 h LYS 63 N 9.36 0.71 -0.40 5.86 1.79 -1.80 -1.68 116.57 130.40 3dx2 h LYS 63 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3dx2 h LYS 63 Cb 1.04 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3dx2 h LYS 63 CO 1.22 0.47 0.00 1.04 -1.08 0.00 0.00 179.45 181.10 3dx2 n GLN 64 N -4.56 3.20 0.00 3.15 6.02 -1.26 -0.39 117.38 123.53 3dx2 n GLN 64 Ca 0.17 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 3dx2 n GLN 64 Cb 0.44 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3dx2 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dx2 n GLY 65 N 0.26 2.74 3.69 1.08 0.00 -0.63 -4.64 105.19 107.70 3dx2 n GLY 65 Ca 0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3dx2 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dx2 s TRP 66 N 3.37 0.24 -0.56 1.61 -2.14 -1.25 -4.18 118.94 116.02 3dx2 s TRP 66 Ca 0.00 -0.67 -0.28 0.00 2.66 0.00 0.00 56.10 57.81 3dx2 s TRP 66 Cb 0.00 0.42 0.02 0.00 -3.10 0.00 0.00 33.47 30.81 3dx2 s TRP 66 CO 0.00 -1.18 1.36 -0.80 -2.66 0.00 0.00 176.95 173.67 3dx2 s ASN 67 N -3.02 6.22 0.18 -2.66 0.01 -1.24 -4.68 114.94 109.74 3dx2 s ASN 67 Ca 0.19 0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 3dx2 s ASN 67 Cb -0.03 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 3dx2 s ASN 67 CO 0.10 -1.64 1.22 -0.63 -1.51 0.00 0.00 177.10 174.64 3dx2 s ILE 68 N 5.74 3.52 0.06 0.60 1.01 -1.26 -5.03 121.20 125.84 3dx2 s ILE 68 Ca 0.50 1.27 0.09 0.00 0.00 0.00 0.00 60.65 62.50 3dx2 s ILE 68 Cb -0.10 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3dx2 s ILE 68 CO 0.25 0.20 -0.23 -0.54 0.00 0.00 0.00 174.94 174.62 3dx2 s LYS 69 N -0.18 1.86 0.06 2.79 1.02 -1.26 -4.97 119.74 119.06 3dx2 s LYS 69 Ca 0.54 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3dx2 s LYS 69 Cb -0.33 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3dx2 s LYS 69 CO 0.37 0.51 -0.04 1.52 -0.92 0.00 0.00 175.35 176.79 3dx2 s TYR 70 N -0.90 0.62 -0.32 3.18 -0.85 -1.26 -4.98 117.35 112.83 3dx2 s TYR 70 Ca 0.13 -0.92 -0.19 0.00 -0.52 0.00 0.00 57.07 55.58 3dx2 s TYR 70 Cb -0.10 -0.41 -0.01 0.00 0.38 0.00 0.00 41.96 41.82 3dx2 s TYR 70 CO 0.04 -0.27 0.55 0.34 -1.52 0.00 0.00 175.55 174.70 3dx2 s ASP 71 N -2.69 6.39 0.55 -0.18 -1.08 -1.26 -4.94 116.67 113.46 3dx2 s ASP 71 Ca 0.05 0.22 0.25 0.00 -0.52 0.00 0.00 52.55 52.55 3dx2 s ASP 71 Cb 0.04 -2.29 1.48 0.00 -1.46 0.00 0.00 42.92 40.69 3dx2 s ASP 71 CO -0.07 -0.45 2.05 -0.65 0.52 0.00 0.00 175.17 176.58 3dx2 h PRO 72 N 8.30 0.00 -0.00 4.34 0.11 -2.00 -0.87 132.00 141.88 3dx2 h PRO 72 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3dx2 h PRO 72 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dx2 h PRO 72 CO 0.77 0.00 -0.00 1.28 -0.21 0.00 0.00 178.00 179.84 3dx2 n LEU 73 N -4.14 0.01 -0.30 2.35 4.77 -1.26 -3.84 117.00 114.59 3dx2 n LEU 73 Ca 0.05 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 3dx2 n LEU 73 Cb 0.43 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3dx2 n LEU 73 CO 0.32 0.00 1.21 0.50 -1.33 0.00 0.00 177.39 178.09 3dx2 h LYS 74 N 0.02 1.02 -5.66 3.23 3.64 -1.57 -3.41 116.57 113.84 3dx2 h LYS 74 Ca 0.00 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.65 3dx2 h LYS 74 Cb 0.16 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 3dx2 h LYS 74 CO 0.00 0.67 -0.48 0.71 -2.27 0.00 0.00 179.45 178.09 3dx2 s TYR 75 N -6.11 3.60 0.16 1.91 2.02 -1.25 -4.95 117.35 112.74 3dx2 s TYR 75 Ca -0.13 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.06 3dx2 s TYR 75 Cb 0.17 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3dx2 s TYR 75 CO 0.79 0.73 0.27 0.27 -1.57 0.00 0.00 175.55 176.05 3dx2 n ASN 76 N 1.89 -0.78 0.07 2.29 0.23 -0.29 -4.89 115.26 113.78 3dx2 n ASN 76 Ca -0.19 -1.79 0.11 0.00 -0.53 0.00 0.00 54.58 52.18 3dx2 n ASN 76 Cb 0.55 1.37 0.58 0.00 -2.08 0.00 0.00 39.78 40.20 3dx2 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dx2 h ALA 77 N 1.83 2.06 -0.15 -2.53 0.00 -1.95 -1.37 119.26 117.15 3dx2 h ALA 77 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dx2 h ALA 77 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dx2 h ALA 77 CO 0.17 -0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3dx2 n HIS 78 N -4.48 0.17 -3.07 0.00 8.25 -1.26 -4.63 115.22 110.20 3dx2 n HIS 78 Ca 0.04 -0.09 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 3dx2 n HIS 78 Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 3dx2 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dx2 s HIS 79 N -1.83 -1.06 0.32 4.41 5.04 -0.52 -5.15 115.29 116.50 3dx2 s HIS 79 Ca 0.33 -0.63 -0.01 0.00 -1.54 0.00 0.00 55.06 53.22 3dx2 s HIS 79 Cb 0.21 0.03 -0.04 0.00 0.04 0.00 0.00 32.58 32.82 3dx2 s HIS 79 CO 0.31 -1.14 0.53 0.15 -2.34 0.00 0.00 174.74 172.25 3dx2 s LYS 80 N 1.12 3.52 -0.25 2.88 1.02 -1.22 -1.13 119.74 125.68 3dx2 s LYS 80 Ca 0.24 -0.27 -0.23 0.00 0.02 0.00 0.00 55.97 55.73 3dx2 s LYS 80 Cb -0.03 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 3dx2 s LYS 80 CO -0.07 0.19 0.76 -1.17 -0.92 0.00 0.00 175.35 174.14 3dx2 s LEU 81 N -4.04 4.07 -0.29 3.17 2.96 0.23 -4.87 118.68 119.91 3dx2 s LEU 81 Ca 0.41 0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 3dx2 s LEU 81 Cb -0.10 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 3dx2 s LEU 81 CO 0.34 -0.47 0.39 -0.75 -1.32 0.00 0.00 176.35 174.53 3dx2 s LYS 82 N 2.74 3.87 -0.17 1.98 2.47 0.51 -1.03 119.74 130.10 3dx2 s LYS 82 Ca 0.32 -0.08 -0.01 0.00 -1.56 0.00 0.00 55.97 54.63 3dx2 s LYS 82 Cb -0.15 -3.71 -0.01 0.00 -1.46 0.00 0.00 37.83 32.51 3dx2 s LYS 82 CO 0.08 -0.37 -0.11 0.08 0.16 0.00 0.00 175.35 175.18 3dx2 s VAL 83 N 2.10 2.99 -0.31 4.02 1.01 0.13 0.07 120.40 130.41 3dx2 s VAL 83 Ca 0.15 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3dx2 s VAL 83 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3dx2 s VAL 83 CO 0.11 0.49 0.09 -0.36 0.00 0.00 0.00 175.10 175.42 3dx2 s PHE 84 N 0.92 3.18 -0.31 5.22 0.08 -0.24 -1.49 117.98 125.34 3dx2 s PHE 84 Ca -0.02 -1.12 -0.17 0.00 0.12 0.00 0.00 56.93 55.74 3dx2 s PHE 84 Cb -0.15 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 3dx2 s PHE 84 CO -0.01 -0.62 0.49 0.08 -0.10 0.00 0.00 175.22 175.05 3dx2 s VAL 85 N 1.47 5.06 -0.40 -0.44 1.01 -0.06 -0.75 120.40 126.29 3dx2 s VAL 85 Ca 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3dx2 s VAL 85 Cb -0.18 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.43 3dx2 s VAL 85 CO 0.02 -0.08 0.18 -0.69 0.00 0.00 0.00 175.10 174.54 3dx2 s VAL 86 N 2.31 3.22 0.31 2.92 1.01 0.31 -0.82 120.40 129.67 3dx2 s VAL 86 Ca 0.18 -2.03 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 3dx2 s VAL 86 Cb -0.16 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 3dx2 s VAL 86 CO 0.12 -0.65 1.28 -2.84 0.00 0.00 0.00 175.10 173.00 3dx2 s PRO 87 N 1.14 4.40 0.18 2.72 0.02 -1.26 -0.61 135.00 141.59 3dx2 s PRO 87 Ca 0.08 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.10 3dx2 s PRO 87 Cb -0.22 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.22 3dx2 s PRO 87 CO -0.04 -0.14 0.44 -3.38 -0.33 0.00 0.00 177.00 173.55 3dx2 s HIS 88 N -1.03 0.04 -0.18 6.54 -3.43 -0.65 -1.65 115.29 114.93 3dx2 s HIS 88 Ca 0.49 -0.39 -0.04 0.00 -0.80 0.00 0.00 55.06 54.32 3dx2 s HIS 88 Cb -0.38 0.25 0.08 0.00 -1.43 0.00 0.00 32.58 31.10 3dx2 s HIS 88 CO 0.50 -0.85 0.23 0.45 -2.00 0.00 0.00 174.74 173.07 3dx2 s SER 89 N -2.90 1.06 -0.36 7.38 0.15 -1.26 -3.86 113.70 113.91 3dx2 s SER 89 Ca 0.11 0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.50 3dx2 s SER 89 Cb 0.00 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3dx2 s SER 89 CO -0.02 -0.30 1.05 -2.28 1.20 0.00 0.00 173.24 172.89 3dx2 s HIS 90 N 2.35 3.06 -0.33 3.44 2.46 -0.54 -4.77 115.29 120.96 3dx2 s HIS 90 Ca 0.06 1.00 0.01 0.00 0.47 0.00 0.00 55.06 56.59 3dx2 s HIS 90 Cb -0.15 -3.84 0.08 0.00 -0.13 0.00 0.00 32.58 28.55 3dx2 s HIS 90 CO -0.11 -0.88 0.04 -0.80 -2.47 0.00 0.00 174.74 170.52 3dx2 s ASN 91 N 1.87 4.84 -0.14 9.88 0.01 -1.26 -0.35 114.94 129.80 3dx2 s ASN 91 Ca 0.44 -1.79 -0.29 0.00 -0.71 0.00 0.00 52.86 50.51 3dx2 s ASN 91 Cb -0.11 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 3dx2 s ASN 91 CO 0.20 -0.35 1.18 -1.81 -1.51 0.00 0.00 177.10 174.80 3dx2 s ASP 92 N 1.22 7.03 -1.02 -1.22 1.01 -1.26 -4.88 116.67 117.56 3dx2 s ASP 92 Ca 0.03 1.66 -0.14 0.00 0.71 0.00 0.00 52.55 54.81 3dx2 s ASP 92 Cb -0.20 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.10 3dx2 s ASP 92 CO -0.05 -0.66 2.15 -2.65 0.21 0.00 0.00 175.17 174.17 3dx2 n PRO 93 N 5.95 2.15 0.00 8.23 -0.02 -1.26 -4.60 135.00 145.45 3dx2 n PRO 93 Ca 0.12 -1.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.74 3dx2 n PRO 93 Cb 0.46 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3dx2 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx2 n GLY 94 N 4.09 2.27 0.00 -1.23 0.00 -1.26 -4.50 105.19 104.56 3dx2 n GLY 94 Ca 0.51 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3dx2 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3dx2 n TRP 95 N 2.15 0.00 0.13 1.61 -0.00 -1.26 -4.67 117.44 115.40 3dx2 n TRP 95 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 3dx2 n TRP 95 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.34 3dx2 n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3dx2 h ILE 96 N 0.00 0.26 -2.58 5.87 1.08 -1.94 -0.29 117.51 119.91 3dx2 h ILE 96 Ca 0.00 -1.42 -0.51 0.00 -0.39 0.00 0.00 64.86 62.54 3dx2 h ILE 96 Cb 0.00 1.91 -0.14 0.00 -3.07 0.00 0.00 36.82 35.52 3dx2 h ILE 96 CO 0.00 0.15 -0.70 -1.10 -0.69 0.00 0.00 178.15 175.81 3dx2 s GLN 97 N -3.16 1.54 0.83 2.37 -0.21 -1.26 -4.83 119.66 114.94 3dx2 s GLN 97 Ca 0.02 -1.76 -0.12 0.00 0.02 0.00 0.00 55.36 53.53 3dx2 s GLN 97 Cb 0.08 -1.26 0.09 0.00 1.00 0.00 0.00 33.01 32.92 3dx2 s GLN 97 CO 0.75 0.11 1.10 0.95 -2.12 0.00 0.00 175.29 176.08 3dx2 s THR 98 N -2.91 2.82 0.21 -0.19 -4.23 -1.26 -4.16 115.64 105.92 3dx2 s THR 98 Ca 0.28 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 3dx2 s THR 98 Cb 0.02 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 71.12 3dx2 s THR 98 CO 0.12 -0.35 1.61 0.15 -0.54 0.00 0.00 174.62 175.60 3dx2 h PHE 99 N -1.24 -0.55 -0.26 3.99 3.57 -1.89 -0.18 116.94 120.37 3dx2 h PHE 99 Ca -0.48 0.07 -0.16 0.00 3.53 0.00 0.00 57.97 60.93 3dx2 h PHE 99 Cb 1.28 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 3dx2 h PHE 99 CO 0.43 -0.33 -0.47 1.49 -2.23 0.00 0.00 178.31 177.21 3dx2 h GLU 100 N -0.05 0.70 -0.27 1.11 4.57 -1.96 -0.24 114.58 118.43 3dx2 h GLU 100 Ca 0.30 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3dx2 h GLU 100 Cb 0.52 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3dx2 h GLU 100 CO -0.70 1.02 0.14 0.93 -1.18 0.00 0.00 179.01 179.22 3dx2 h GLU 101 N 0.56 0.38 -0.48 1.92 5.08 -1.81 -0.40 114.58 119.83 3dx2 h GLU 101 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3dx2 h GLU 101 Cb 1.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3dx2 h GLU 101 CO 0.10 0.35 0.05 1.88 -1.00 0.00 0.00 179.01 180.40 3dx2 h TYR 102 N 0.32 0.79 -0.26 4.33 0.05 -0.90 0.14 116.97 121.44 3dx2 h TYR 102 Ca 0.09 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dx2 h TYR 102 Cb 0.09 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3dx2 h TYR 102 CO -0.03 0.71 0.15 -0.92 -1.05 0.00 0.00 178.16 177.02 3dx2 h TYR 103 N 0.72 0.36 -0.36 4.88 3.20 -0.63 0.22 116.97 125.36 3dx2 h TYR 103 Ca 0.15 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 3dx2 h TYR 103 Cb 0.36 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3dx2 h TYR 103 CO 0.02 0.30 -0.38 1.96 -1.64 0.00 0.00 178.16 178.42 3dx2 h GLN 104 N 0.32 0.86 0.00 1.82 1.08 -0.75 -0.61 115.11 117.82 3dx2 h GLN 104 Ca 0.09 -0.44 -0.25 0.00 -1.45 0.00 0.00 58.65 56.60 3dx2 h GLN 104 Cb 0.05 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 3dx2 h GLN 104 CO -0.02 1.08 -1.37 0.45 -0.95 0.00 0.00 178.83 178.03 3dx2 h HIS 105 N 0.70 0.00 0.00 2.96 3.86 -0.85 -3.45 115.15 118.37 3dx2 h HIS 105 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3dx2 h HIS 105 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 3dx2 h HIS 105 CO 0.06 0.99 0.00 -0.25 0.86 0.00 0.00 177.93 179.59 3dx2 n ASP 106 N -3.19 0.21 -0.05 2.45 8.00 0.59 -4.88 116.55 119.68 3dx2 n ASP 106 Ca -0.09 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.64 3dx2 n ASP 106 Cb 1.00 0.10 0.21 0.00 -0.02 0.00 0.00 41.12 42.40 3dx2 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3dx2 h THR 107 N 0.00 1.23 -0.10 -3.53 2.02 -1.08 -1.06 112.91 110.40 3dx2 h THR 107 Ca 0.00 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3dx2 h THR 107 Cb 0.00 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3dx2 h THR 107 CO 0.00 0.34 -0.19 0.07 0.37 0.00 0.00 175.52 176.11 3dx2 h LYS 108 N 0.61 0.16 -0.09 6.66 2.10 -1.33 -0.57 116.57 124.10 3dx2 h LYS 108 Ca 0.12 -0.04 -0.19 0.00 -2.00 0.00 0.00 60.65 58.54 3dx2 h LYS 108 Cb 0.46 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3dx2 h LYS 108 CO 0.02 0.35 -0.67 0.45 -2.00 0.00 0.00 179.45 177.60 3dx2 h HIS 109 N 0.15 0.86 -0.15 0.07 3.86 -1.56 -1.18 115.15 117.19 3dx2 h HIS 109 Ca 0.03 -0.40 0.03 0.00 -1.16 0.00 0.00 60.37 58.87 3dx2 h HIS 109 Cb 0.43 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3dx2 h HIS 109 CO 0.00 1.21 -0.03 0.82 0.86 0.00 0.00 177.93 180.79 3dx2 h ILE 110 N 0.26 0.86 -0.30 2.45 2.04 -0.81 0.86 117.51 122.87 3dx2 h ILE 110 Ca -0.06 -0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 3dx2 h ILE 110 Cb 1.32 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3dx2 h ILE 110 CO 0.14 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.81 3dx2 h LEU 111 N 0.01 0.79 -0.21 1.44 3.38 -1.14 0.17 115.31 119.74 3dx2 h LEU 111 Ca 0.07 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dx2 h LEU 111 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dx2 h LEU 111 CO -0.15 1.10 0.13 0.28 0.09 0.00 0.00 178.44 179.89 3dx2 h SER 112 N 0.60 0.22 0.61 -0.43 0.02 -1.05 -0.87 113.55 112.66 3dx2 h SER 112 Ca 0.05 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 3dx2 h SER 112 Cb 0.96 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3dx2 h SER 112 CO 0.09 0.16 -0.72 0.78 -1.14 0.00 0.00 176.83 176.00 3dx2 h ASN 113 N 0.27 0.11 -0.55 3.07 2.35 -0.70 -2.39 115.58 117.75 3dx2 h ASN 113 Ca 0.08 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3dx2 h ASN 113 Cb -0.02 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3dx2 h ASN 113 CO -0.03 0.79 0.35 0.00 -1.65 0.00 0.00 177.43 176.89 3dx2 h ALA 114 N 1.21 0.69 -0.28 -0.83 0.00 -0.48 0.79 119.26 120.35 3dx2 h ALA 114 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dx2 h ALA 114 Cb 1.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3dx2 h ALA 114 CO 0.10 0.15 0.12 1.25 0.00 0.00 0.00 179.25 180.87 3dx2 h LEU 115 N 0.74 0.16 -0.11 0.00 5.85 -0.96 -0.40 115.31 120.59 3dx2 h LEU 115 Ca 0.20 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3dx2 h LEU 115 Cb -0.06 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3dx2 h LEU 115 CO -0.04 0.13 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.08 3dx2 h ARG 116 N 0.26 0.21 -0.08 1.25 2.43 -1.19 -1.37 114.38 115.89 3dx2 h ARG 116 Ca 0.12 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 3dx2 h ARG 116 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3dx2 h ARG 116 CO -0.10 0.50 -0.58 1.25 -1.51 0.00 0.00 179.97 179.53 3dx2 h HIS 117 N -0.10 0.33 -0.11 2.20 2.76 -0.73 -0.79 115.15 118.72 3dx2 h HIS 117 Ca 0.03 -0.12 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 3dx2 h HIS 117 Cb 0.42 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.32 3dx2 h HIS 117 CO 0.05 0.78 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.92 3dx2 h LEU 118 N 0.20 0.59 -0.59 0.26 3.38 -1.11 -2.13 115.31 115.92 3dx2 h LEU 118 Ca -0.00 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 57.41 3dx2 h LEU 118 Cb 1.07 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3dx2 h LEU 118 CO 0.09 1.12 0.25 -0.74 0.09 0.00 0.00 178.44 179.25 3dx2 h HIS 119 N 0.09 0.44 0.00 1.13 2.76 -1.06 -2.74 115.15 115.76 3dx2 h HIS 119 Ca -0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3dx2 h HIS 119 Cb 1.10 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3dx2 h HIS 119 CO 0.11 0.15 -0.15 -0.25 -1.30 0.00 0.00 177.93 176.49 3dx2 n ASP 120 N -4.95 0.47 -3.64 3.26 8.00 -0.32 -4.51 116.55 114.86 3dx2 n ASP 120 Ca 0.08 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.68 3dx2 n ASP 120 Cb 0.23 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 3dx2 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dx2 s ASN 121 N -3.76 3.23 0.62 -2.24 0.01 -0.80 -5.01 114.94 106.99 3dx2 s ASN 121 Ca 0.11 -2.90 0.35 0.00 -0.71 0.00 0.00 52.86 49.72 3dx2 s ASN 121 Cb 0.15 -0.92 2.02 0.00 0.41 0.00 0.00 41.25 42.92 3dx2 s ASN 121 CO 0.60 -0.22 2.27 -0.65 -1.51 0.00 0.00 177.10 177.60 3dx2 h PRO 122 N 6.26 0.00 0.00 -0.60 0.11 -1.79 -1.16 132.00 134.82 3dx2 h PRO 122 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3dx2 h PRO 122 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3dx2 h PRO 122 CO 0.47 0.00 -0.60 0.39 -0.21 0.00 0.00 178.00 178.06 3dx2 n GLU 123 N -3.53 0.11 -2.50 1.05 -0.58 -1.26 -4.90 120.64 109.03 3dx2 n GLU 123 Ca -0.02 0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 3dx2 n GLU 123 Cb 0.12 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 3dx2 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3dx2 s MET 124 N -3.07 3.97 0.16 3.49 1.75 -0.44 -4.66 119.30 120.50 3dx2 s MET 124 Ca 0.09 1.50 0.04 0.00 -1.25 0.00 0.00 55.69 56.07 3dx2 s MET 124 Cb 0.16 -2.37 -0.05 0.00 2.84 0.00 0.00 34.83 35.42 3dx2 s MET 124 CO 0.72 -0.31 -0.07 0.15 -0.65 0.00 0.00 175.02 174.86 3dx2 s LYS 125 N -2.77 1.07 -0.27 4.11 -0.14 -1.26 -4.80 119.74 115.69 3dx2 s LYS 125 Ca 0.62 -1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 53.50 3dx2 s LYS 125 Cb -0.21 -0.51 0.08 0.00 -1.68 0.00 0.00 37.83 35.51 3dx2 s LYS 125 CO 0.26 0.01 0.79 0.12 -0.76 0.00 0.00 175.35 175.77 3dx2 s PHE 126 N -3.43 -0.71 0.09 3.18 5.36 -0.23 -4.36 117.98 117.88 3dx2 s PHE 126 Ca 0.19 1.73 0.06 0.00 -0.96 0.00 0.00 56.93 57.95 3dx2 s PHE 126 Cb 0.04 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.98 3dx2 s PHE 126 CO 0.01 -0.35 -0.08 0.96 -1.46 0.00 0.00 175.22 174.31 3dx2 s ILE 127 N 0.29 3.53 -0.04 3.12 -4.36 -0.66 -1.27 121.20 121.82 3dx2 s ILE 127 Ca 0.00 -1.18 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 3dx2 s ILE 127 Cb -0.05 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 41.03 3dx2 s ILE 127 CO -0.00 0.13 -0.03 0.86 0.24 0.00 0.00 174.94 176.14 3dx2 s TRP 128 N -1.22 0.58 -0.21 1.37 -0.11 -0.23 -4.36 118.94 114.75 3dx2 s TRP 128 Ca 0.22 -0.13 -0.00 0.00 1.22 0.00 0.00 56.10 57.41 3dx2 s TRP 128 Cb -0.11 -0.56 -0.13 0.00 -1.50 0.00 0.00 33.47 31.17 3dx2 s TRP 128 CO 0.14 -0.16 -0.20 0.00 -4.62 0.00 0.00 176.95 172.12 3dx2 n ALA 129 N 4.03 1.55 -3.00 5.86 0.00 -1.26 -0.84 120.51 126.86 3dx2 n ALA 129 Ca -0.26 -0.89 -0.44 0.00 0.00 0.00 0.00 53.44 51.85 3dx2 n ALA 129 Cb 0.51 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 3dx2 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dx2 s GLU 130 N -2.41 3.07 0.41 0.00 8.01 -1.26 -3.92 118.70 122.58 3dx2 s GLU 130 Ca -0.28 -1.18 0.22 0.00 0.01 0.00 0.00 54.97 53.73 3dx2 s GLU 130 Cb 0.08 -4.21 0.64 0.00 -4.31 0.00 0.00 34.13 26.32 3dx2 s GLU 130 CO 0.47 -1.45 1.70 0.82 0.01 0.00 0.00 175.26 176.81 3dx2 h ILE 131 N 5.91 0.51 -0.52 -1.63 1.08 -1.05 -2.76 117.51 119.04 3dx2 h ILE 131 Ca -0.29 -1.34 0.10 0.00 -0.39 0.00 0.00 64.86 62.94 3dx2 h ILE 131 Cb 1.09 1.96 -0.08 0.00 -3.07 0.00 0.00 36.82 36.71 3dx2 h ILE 131 CO 1.06 0.24 0.04 0.77 -0.69 0.00 0.00 178.15 179.57 3dx2 h SER 132 N 0.00 -0.14 -0.45 1.72 4.64 -1.39 0.20 113.55 118.13 3dx2 h SER 132 Ca -0.00 0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 3dx2 h SER 132 Cb 0.94 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3dx2 h SER 132 CO 0.03 -0.05 -0.26 1.88 -0.87 0.00 0.00 176.83 177.57 3dx2 h TYR 133 N 0.16 1.13 -0.54 4.77 0.05 -1.75 -2.27 116.97 118.52 3dx2 h TYR 133 Ca 0.27 -0.29 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 3dx2 h TYR 133 Cb 0.40 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3dx2 h TYR 133 CO -0.29 1.11 -0.01 0.35 -1.05 0.00 0.00 178.16 178.27 3dx2 h PHE 134 N 0.83 1.06 -0.64 4.88 3.57 -1.05 -0.61 116.94 124.97 3dx2 h PHE 134 Ca 0.10 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 3dx2 h PHE 134 Cb 0.84 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3dx2 h PHE 134 CO 0.05 0.96 0.13 0.00 -2.23 0.00 0.00 178.31 177.23 3dx2 h ALA 135 N 0.95 1.02 -0.70 2.41 0.00 -0.66 0.11 119.26 122.39 3dx2 h ALA 135 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dx2 h ALA 135 Cb 0.55 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dx2 h ALA 135 CO 0.03 0.63 0.37 -0.09 0.00 0.00 0.00 179.25 180.20 3dx2 h ARG 136 N 0.98 0.98 0.00 0.00 9.65 -0.96 -2.51 114.38 122.52 3dx2 h ARG 136 Ca 0.20 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3dx2 h ARG 136 Cb 0.38 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3dx2 h ARG 136 CO 0.01 0.73 -0.00 0.35 2.80 0.00 0.00 179.97 183.85 3dx2 h PHE 137 N 0.98 -0.00 -0.24 2.20 3.57 -0.73 -3.33 116.94 119.39 3dx2 h PHE 137 Ca 0.25 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3dx2 h PHE 137 Cb 0.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3dx2 h PHE 137 CO 0.01 0.77 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.84 3dx2 h TYR 138 N -0.78 0.40 0.00 0.41 3.20 -0.72 -0.89 116.97 118.59 3dx2 h TYR 138 Ca -0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3dx2 h TYR 138 Cb 0.77 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3dx2 h TYR 138 CO 0.20 0.47 0.00 0.45 -1.64 0.00 0.00 178.16 177.64 3dx2 h HIS 139 N 0.36 0.00 -0.01 -3.82 3.86 -1.58 -2.00 115.15 111.96 3dx2 h HIS 139 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3dx2 h HIS 139 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3dx2 h HIS 139 CO 0.01 0.00 -0.24 -0.25 0.86 0.00 0.00 177.93 178.31 3dx2 n ASP 140 N -2.44 1.15 -4.76 2.45 9.92 -0.36 -4.93 116.55 117.58 3dx2 n ASP 140 Ca 0.03 -1.00 -0.39 0.00 -0.53 0.00 0.00 54.79 52.90 3dx2 n ASP 140 Cb 0.33 0.14 -0.06 0.00 -0.64 0.00 0.00 41.12 40.89 3dx2 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3dx2 s LEU 141 N -2.44 4.54 0.82 0.64 1.43 -0.75 -5.06 118.68 117.85 3dx2 s LEU 141 Ca 0.25 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 3dx2 s LEU 141 Cb 0.19 -3.74 0.08 0.00 0.03 0.00 0.00 46.19 42.76 3dx2 s LEU 141 CO 0.50 0.08 1.10 -0.83 0.23 0.00 0.00 176.35 177.43 3dx2 s GLY 142 N -1.33 1.66 0.31 -3.19 0.00 -1.26 -4.78 107.32 98.74 3dx2 s GLY 142 Ca 0.44 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3dx2 s GLY 142 CO 0.29 0.62 1.95 -2.09 0.00 0.00 0.00 173.10 173.87 3dx2 h GLU 143 N -1.31 1.00 -0.68 2.90 4.57 -1.97 -0.44 114.58 118.64 3dx2 h GLU 143 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3dx2 h GLU 143 Cb 1.25 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 3dx2 h GLU 143 CO 0.51 0.66 0.45 -0.97 -1.18 0.00 0.00 179.01 178.48 3dx2 h ASN 144 N 1.03 0.79 0.27 1.04 -0.73 -2.00 -0.84 115.58 115.15 3dx2 h ASN 144 Ca 0.33 -0.03 -0.17 0.00 1.87 0.00 0.00 56.30 58.31 3dx2 h ASN 144 Cb 0.04 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 3dx2 h ASN 144 CO -0.10 0.58 -0.67 0.11 -0.37 0.00 0.00 177.43 176.99 3dx2 h LYS 145 N 0.93 0.36 -0.51 6.67 1.79 -1.68 -1.94 116.57 122.18 3dx2 h LYS 145 Ca 0.25 -0.27 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 3dx2 h LYS 145 Cb -0.09 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 3dx2 h LYS 145 CO -0.05 0.90 0.29 0.87 -1.08 0.00 0.00 179.45 180.37 3dx2 h LYS 146 N 0.26 0.55 -0.57 3.15 1.57 -0.74 0.63 116.57 121.42 3dx2 h LYS 146 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dx2 h LYS 146 Cb 1.22 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3dx2 h LYS 146 CO 0.11 0.36 0.33 -0.07 -0.57 0.00 0.00 179.45 179.61 3dx2 h LEU 147 N 0.56 0.70 -0.90 2.94 3.38 -1.00 -0.03 115.31 120.96 3dx2 h LEU 147 Ca 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dx2 h LEU 147 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dx2 h LEU 147 CO -0.12 0.57 0.56 1.56 0.09 0.00 0.00 178.44 181.10 3dx2 h GLN 148 N 0.77 1.21 -0.35 1.13 4.20 -0.94 -1.61 115.11 119.53 3dx2 h GLN 148 Ca 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3dx2 h GLN 148 Cb 0.01 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3dx2 h GLN 148 CO -0.04 0.84 0.08 1.98 -0.67 0.00 0.00 178.83 181.02 3dx2 h MET 149 N 1.23 0.56 -0.87 1.46 4.05 -0.48 -2.30 114.93 118.58 3dx2 h MET 149 Ca 0.32 -0.14 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3dx2 h MET 149 Cb -0.07 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.61 3dx2 h MET 149 CO -0.06 0.61 0.57 0.87 0.23 0.00 0.00 176.91 179.13 3dx2 h LYS 150 N 0.41 1.09 -0.18 0.39 1.57 -0.77 -1.91 116.57 117.17 3dx2 h LYS 150 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3dx2 h LYS 150 Cb 0.31 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3dx2 h LYS 150 CO 0.00 0.72 0.09 1.03 -0.57 0.00 0.00 179.45 180.72 3dx2 h SER 151 N 1.12 0.22 0.97 0.86 0.87 -0.91 0.17 113.55 116.86 3dx2 h SER 151 Ca 0.34 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3dx2 h SER 151 Cb -0.03 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3dx2 h SER 151 CO -0.09 0.27 -0.07 0.16 -0.53 0.00 0.00 176.83 176.56 3dx2 h ILE 152 N 0.17 0.18 0.04 2.23 3.07 -1.07 -0.07 117.51 122.05 3dx2 h ILE 152 Ca 0.06 -0.69 -0.10 0.00 1.55 0.00 0.00 64.86 65.68 3dx2 h ILE 152 Cb 0.10 1.58 0.01 0.00 -0.27 0.00 0.00 36.82 38.24 3dx2 h ILE 152 CO -0.01 0.07 -0.42 0.58 -1.05 0.00 0.00 178.15 177.32 3dx2 h VAL 153 N 0.00 1.56 -0.58 0.16 2.07 -1.08 -0.92 116.25 117.45 3dx2 h VAL 153 Ca -0.00 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.32 3dx2 h VAL 153 Cb 0.58 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 3dx2 h VAL 153 CO 0.01 0.60 0.30 0.50 0.02 0.00 0.00 177.57 179.00 3dx2 h LYS 154 N -0.48 0.81 -0.04 1.57 3.64 -0.19 -2.04 116.57 119.84 3dx2 h LYS 154 Ca -0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3dx2 h LYS 154 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3dx2 h LYS 154 CO 0.08 0.61 0.00 0.27 -2.27 0.00 0.00 179.45 178.14 3dx2 n ASN 155 N -4.38 0.87 0.00 4.20 0.23 -0.08 -4.93 115.26 111.17 3dx2 n ASN 155 Ca 0.05 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 3dx2 n ASN 155 Cb 0.11 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3dx2 n ASN 155 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dx2 n GLY 156 N 1.05 0.71 0.13 4.83 0.00 -0.77 -4.94 105.19 106.20 3dx2 n GLY 156 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 3dx2 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dx2 h GLN 157 N 2.37 0.37 -4.99 1.61 4.20 -1.45 -3.42 115.11 113.80 3dx2 h GLN 157 Ca 0.00 -0.46 -0.64 0.00 0.06 0.00 0.00 58.65 57.61 3dx2 h GLN 157 Cb 0.00 0.15 -0.19 0.00 0.30 0.00 0.00 27.48 27.74 3dx2 h GLN 157 CO 0.00 1.15 -0.57 -1.17 -0.67 0.00 0.00 178.83 177.57 3dx2 s LEU 158 N -8.18 3.76 -0.09 1.46 2.96 -0.56 -1.07 118.68 116.97 3dx2 s LEU 158 Ca -0.13 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3dx2 s LEU 158 Cb 0.03 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3dx2 s LEU 158 CO 0.82 -0.00 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.97 3dx2 s GLU 159 N 1.45 2.38 0.10 1.98 2.12 -0.39 -4.27 118.70 122.07 3dx2 s GLU 159 Ca 0.06 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 3dx2 s GLU 159 Cb -0.15 -1.89 -0.06 0.00 0.26 0.00 0.00 34.13 32.30 3dx2 s GLU 159 CO 0.06 0.07 0.92 -0.06 -0.54 0.00 0.00 175.26 175.72 3dx2 s PHE 160 N 0.59 3.80 -0.10 5.30 0.08 -1.26 -1.07 117.98 125.32 3dx2 s PHE 160 Ca -0.15 1.74 0.03 0.00 0.12 0.00 0.00 56.93 58.67 3dx2 s PHE 160 Cb -0.17 -3.01 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 3dx2 s PHE 160 CO 0.05 0.22 -0.19 0.14 -0.10 0.00 0.00 175.22 175.34 3dx2 s VAL 161 N -0.02 2.59 0.00 -0.44 -7.23 -0.02 -4.68 120.40 110.61 3dx2 s VAL 161 Ca 0.45 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 3dx2 s VAL 161 Cb -0.23 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.68 3dx2 s VAL 161 CO 0.29 0.55 0.00 0.41 -0.31 0.00 0.00 175.10 176.04 3dx2 n THR 162 N 3.24 0.00 -1.02 5.32 -1.04 0.10 -4.20 114.28 116.68 3dx2 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3dx2 n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3dx2 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dx2 n GLY 163 N 0.00 0.41 3.86 3.41 0.00 -1.25 -4.65 105.19 106.97 3dx2 n GLY 163 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3dx2 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dx2 s GLY 164 N -2.95 1.63 0.38 -0.02 0.00 -1.26 -1.71 107.32 103.40 3dx2 s GLY 164 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.54 3dx2 s GLY 164 CO 0.00 0.12 1.96 -0.25 0.00 0.00 0.00 173.10 174.93 3dx2 h TRP 165 N -0.74 0.69 -4.54 1.90 -0.00 -1.51 -1.02 115.95 110.74 3dx2 h TRP 165 Ca -0.45 0.02 -0.43 0.00 -0.00 0.00 0.00 58.89 58.02 3dx2 h TRP 165 Cb 1.25 -0.23 -0.11 0.00 -0.00 0.00 0.00 29.16 30.07 3dx2 h TRP 165 CO 0.52 0.36 -0.41 1.33 -0.00 0.00 0.00 178.44 180.23 3dx2 n VAL 166 N -4.48 0.00 -3.53 2.65 0.24 -1.26 -1.27 118.33 110.68 3dx2 n VAL 166 Ca 0.10 -2.13 -0.41 0.00 -2.04 0.00 0.00 64.34 59.86 3dx2 n VAL 166 Cb 0.26 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 3dx2 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3dx2 s MET 167 N -3.23 2.65 0.56 7.34 -2.45 -1.26 -4.88 119.30 118.04 3dx2 s MET 167 Ca 0.32 -1.93 -0.16 0.00 -1.25 0.00 0.00 55.69 52.66 3dx2 s MET 167 Cb 0.02 -3.99 -0.05 0.00 1.25 0.00 0.00 34.83 32.05 3dx2 s MET 167 CO 0.22 -1.22 1.04 -1.25 1.05 0.00 0.00 175.02 174.86 3dx2 s PRO 168 N 1.08 3.54 0.43 4.11 0.04 -1.26 -3.09 135.00 139.85 3dx2 s PRO 168 Ca 0.08 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 3dx2 s PRO 168 Cb -0.24 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3dx2 s PRO 168 CO -0.02 -0.62 0.74 -3.47 0.04 0.00 0.00 177.00 173.67 3dx2 n ASP 169 N -1.79 -0.02 -0.14 6.66 2.03 -0.03 -4.64 116.55 118.62 3dx2 n ASP 169 Ca 0.08 0.95 0.05 0.00 0.52 0.00 0.00 54.79 56.39 3dx2 n ASP 169 Cb 0.53 -1.22 -0.02 0.00 -0.72 0.00 0.00 41.12 39.69 3dx2 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dx2 n GLU 170 N 0.32 2.75 -0.10 -0.67 1.02 -1.26 -4.43 120.64 118.28 3dx2 n GLU 170 Ca 0.11 -0.37 -0.19 0.00 -0.02 0.00 0.00 57.16 56.69 3dx2 n GLU 170 Cb 0.40 -1.04 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 3dx2 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dx2 n ALA 171 N -0.63 0.73 0.09 0.62 0.00 -1.26 -4.56 120.51 115.50 3dx2 n ALA 171 Ca 0.03 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 53.10 3dx2 n ALA 171 Cb 0.19 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 3dx2 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dx2 n ASN 172 N -4.46 0.39 -4.77 0.00 3.02 -1.26 -4.52 115.26 103.65 3dx2 n ASN 172 Ca -0.28 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 53.96 3dx2 n ASN 172 Cb 0.61 1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 41.05 3dx2 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dx2 s SER 173 N -4.78 6.95 0.27 6.41 1.04 -1.26 -4.75 113.70 117.58 3dx2 s SER 173 Ca -0.04 2.54 -0.28 0.00 0.48 0.00 0.00 55.95 58.64 3dx2 s SER 173 Cb 0.12 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 3dx2 s SER 173 CO 0.86 -0.39 0.94 -2.28 0.98 0.00 0.00 173.24 173.34 3dx2 s HIS 174 N -1.14 3.87 0.44 5.02 2.46 -1.26 -4.20 115.29 120.49 3dx2 s HIS 174 Ca 0.47 1.86 0.19 0.00 0.47 0.00 0.00 55.06 58.05 3dx2 s HIS 174 Cb -0.37 -2.95 1.14 0.00 -0.13 0.00 0.00 32.58 30.27 3dx2 s HIS 174 CO 0.49 0.36 1.89 0.11 -2.47 0.00 0.00 174.74 175.12 3dx2 h TRP 175 N 3.77 0.42 -0.30 3.88 5.08 -0.98 0.67 115.95 128.49 3dx2 h TRP 175 Ca -0.46 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.47 3dx2 h TRP 175 Cb 1.20 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 27.21 3dx2 h TRP 175 CO 0.61 0.13 -0.04 0.00 -1.28 0.00 0.00 178.44 177.86 3dx2 h ARG 176 N 0.33 0.48 0.00 0.12 3.08 -1.92 -0.12 114.38 116.35 3dx2 h ARG 176 Ca 0.41 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 60.15 3dx2 h ARG 176 Cb 1.11 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 3dx2 h ARG 176 CO -0.12 0.54 -1.18 -0.91 -1.07 0.00 0.00 179.97 177.22 3dx2 h ASN 177 N 0.46 0.00 -0.35 7.04 2.35 -1.31 -0.81 115.58 122.96 3dx2 h ASN 177 Ca 0.10 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3dx2 h ASN 177 Cb 0.36 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3dx2 h ASN 177 CO 0.01 0.82 0.19 0.58 -1.65 0.00 0.00 177.43 177.38 3dx2 h VAL 178 N 0.00 1.00 -0.67 2.81 2.07 -0.83 -1.05 116.25 119.58 3dx2 h VAL 178 Ca -0.12 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3dx2 h VAL 178 Cb 1.73 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3dx2 h VAL 178 CO 0.09 0.07 0.26 0.25 0.02 0.00 0.00 177.57 178.25 3dx2 h LEU 179 N 0.38 0.93 -0.17 2.57 5.85 -0.96 -1.56 115.31 122.35 3dx2 h LEU 179 Ca 0.15 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3dx2 h LEU 179 Cb 0.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3dx2 h LEU 179 CO -0.09 0.85 -0.04 0.25 -0.34 0.00 0.00 178.44 179.07 3dx2 h LEU 180 N 0.95 -0.15 -0.66 2.25 5.85 -0.88 0.79 115.31 123.46 3dx2 h LEU 180 Ca 0.22 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 3dx2 h LEU 180 Cb 0.22 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3dx2 h LEU 180 CO -0.02 -0.05 -0.46 0.06 -0.34 0.00 0.00 178.44 177.64 3dx2 h GLN 181 N 0.00 0.51 -0.56 1.25 -0.00 -1.10 0.19 115.11 115.41 3dx2 h GLN 181 Ca 0.08 -0.28 -0.02 0.00 -0.00 0.00 0.00 58.65 58.43 3dx2 h GLN 181 Cb 0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.59 3dx2 h GLN 181 CO -0.17 0.86 0.27 1.25 -0.00 0.00 0.00 178.83 181.05 3dx2 h LEU 182 N 0.41 0.73 -0.81 0.06 5.85 -0.99 -1.15 115.31 119.42 3dx2 h LEU 182 Ca 0.03 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3dx2 h LEU 182 Cb 0.96 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3dx2 h LEU 182 CO 0.08 0.65 -0.27 0.74 -0.34 0.00 0.00 178.44 179.31 3dx2 h THR 183 N 0.75 1.27 -0.24 1.05 2.02 -0.45 -0.15 112.91 117.17 3dx2 h THR 183 Ca 0.19 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 3dx2 h THR 183 Cb 0.11 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3dx2 h THR 183 CO -0.03 0.43 0.03 -0.08 0.37 0.00 0.00 175.52 176.25 3dx2 h GLU 184 N 0.52 0.40 -0.30 6.66 4.57 -0.65 0.14 114.58 125.92 3dx2 h GLU 184 Ca 0.07 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3dx2 h GLU 184 Cb 0.73 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3dx2 h GLU 184 CO 0.06 0.54 -0.18 0.78 -1.18 0.00 0.00 179.01 179.04 3dx2 h GLY 185 N 0.20 0.70 1.87 1.92 0.00 -1.27 -2.75 103.07 103.75 3dx2 h GLY 185 Ca 0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 3dx2 h GLY 185 CO 0.01 0.59 -0.58 1.46 0.00 0.00 0.00 176.54 178.02 3dx2 h GLN 186 N 0.40 0.14 -0.48 4.80 4.20 -0.12 -0.66 115.11 123.38 3dx2 h GLN 186 Ca 0.06 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3dx2 h GLN 186 Cb 0.71 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3dx2 h GLN 186 CO 0.05 0.67 0.05 1.15 -0.67 0.00 0.00 178.83 180.08 3dx2 h THR 187 N 0.10 1.25 -0.14 -0.54 2.02 -0.74 0.10 112.91 114.98 3dx2 h THR 187 Ca -0.00 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.22 3dx2 h THR 187 Cb 1.05 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3dx2 h THR 187 CO 0.08 0.34 -0.01 -0.25 0.37 0.00 0.00 175.52 176.06 3dx2 h TRP 188 N 0.68 -0.02 -0.80 3.16 7.01 -1.22 -1.48 115.95 123.28 3dx2 h TRP 188 Ca 0.14 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3dx2 h TRP 188 Cb 0.44 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 3dx2 h TRP 188 CO 0.03 -0.03 0.45 -0.07 -2.79 0.00 0.00 178.44 176.04 3dx2 h LEU 189 N 0.04 0.98 -0.29 0.65 3.38 -0.83 -0.42 115.31 118.82 3dx2 h LEU 189 Ca 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3dx2 h LEU 189 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3dx2 h LEU 189 CO -0.12 0.79 0.11 0.50 0.09 0.00 0.00 178.44 179.80 3dx2 h LYS 190 N 1.10 0.44 -0.39 1.13 1.63 -0.72 0.14 116.57 119.89 3dx2 h LYS 190 Ca 0.28 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3dx2 h LYS 190 Cb 0.01 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 3dx2 h LYS 190 CO -0.05 0.47 0.08 0.37 -3.45 0.00 0.00 179.45 176.87 3dx2 h GLN 191 N 0.31 0.64 0.00 1.90 4.15 -0.89 -2.59 115.11 118.63 3dx2 h GLN 191 Ca 0.10 -0.16 -0.26 0.00 0.77 0.00 0.00 58.65 59.10 3dx2 h GLN 191 Cb 0.20 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 3dx2 h GLN 191 CO -0.01 0.67 -2.10 1.19 -1.93 0.00 0.00 178.83 176.66 3dx2 n PHE 192 N -4.55 0.00 0.22 3.99 3.72 -0.20 -4.60 117.46 116.04 3dx2 n PHE 192 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3dx2 n PHE 192 Cb 0.22 -0.76 -0.00 0.00 -0.94 0.00 0.00 39.48 37.99 3dx2 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3dx2 n MET 193 N -2.54 2.40 -3.90 -1.08 2.81 0.31 -5.01 117.12 110.11 3dx2 n MET 193 Ca -0.23 -0.43 -0.29 0.00 -1.81 0.00 0.00 57.70 54.93 3dx2 n MET 193 Cb 0.95 -0.92 0.02 0.00 -0.71 0.00 0.00 33.22 32.56 3dx2 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3dx2 n ASN 194 N -0.36 -4.16 -3.99 7.83 5.15 -0.17 -4.91 115.26 114.66 3dx2 n ASN 194 Ca 0.02 -0.80 -0.09 0.00 -0.60 0.00 0.00 54.58 53.11 3dx2 n ASN 194 Cb 0.10 -3.85 -0.11 0.00 -0.53 0.00 0.00 39.78 35.39 3dx2 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dx2 s VAL 195 N -3.37 0.12 -0.23 3.44 -7.23 -1.19 -4.98 120.40 106.96 3dx2 s VAL 195 Ca 0.56 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3dx2 s VAL 195 Cb -0.28 -0.42 0.07 0.00 0.56 0.00 0.00 36.38 36.31 3dx2 s VAL 195 CO 0.83 -0.55 0.02 -0.89 -0.31 0.00 0.00 175.10 174.20 3dx2 s THR 196 N -1.75 0.89 0.43 5.32 2.01 -1.26 -3.31 115.64 117.97 3dx2 s THR 196 Ca -0.13 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 60.70 3dx2 s THR 196 Cb -0.08 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.96 3dx2 s THR 196 CO -0.02 -0.27 1.26 -2.65 -0.69 0.00 0.00 174.62 172.26 3dx2 n PRO 197 N 4.90 1.89 0.00 4.92 -0.02 -1.26 -4.92 135.00 140.50 3dx2 n PRO 197 Ca -0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3dx2 n PRO 197 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3dx2 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dx2 n THR 198 N -0.29 0.40 -5.16 3.45 -2.24 -1.26 -4.76 114.28 104.43 3dx2 n THR 198 Ca 0.07 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.85 3dx2 n THR 198 Cb 0.40 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.28 3dx2 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx2 s ALA 199 N -0.40 2.03 0.05 6.98 0.00 -1.26 -0.43 121.76 128.73 3dx2 s ALA 199 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3dx2 s ALA 199 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3dx2 s ALA 199 CO 0.00 0.34 0.06 0.45 0.00 0.00 0.00 175.76 176.61 3dx2 s SER 200 N 0.06 5.43 -0.20 0.00 0.15 -0.19 -0.72 113.70 118.23 3dx2 s SER 200 Ca -0.09 0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 3dx2 s SER 200 Cb -0.15 -1.46 0.06 0.00 -1.71 0.00 0.00 66.02 62.77 3dx2 s SER 200 CO 0.05 0.21 0.01 0.86 1.20 0.00 0.00 173.24 175.57 3dx2 s TRP 201 N -1.29 1.33 -0.46 3.44 -0.11 -1.26 -0.84 118.94 119.74 3dx2 s TRP 201 Ca 0.26 -1.05 0.03 0.00 1.22 0.00 0.00 56.10 56.55 3dx2 s TRP 201 Cb -0.12 -1.15 0.14 0.00 -1.50 0.00 0.00 33.47 30.84 3dx2 s TRP 201 CO 0.18 -0.64 0.28 0.00 -4.62 0.00 0.00 176.95 172.15 3dx2 s ALA 202 N 1.75 2.20 -0.28 5.86 0.00 -0.49 -4.83 121.76 125.97 3dx2 s ALA 202 Ca -0.02 -2.69 0.23 0.00 0.00 0.00 0.00 51.96 49.47 3dx2 s ALA 202 Cb -0.17 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.01 3dx2 s ALA 202 CO -0.07 -2.06 0.90 0.44 0.00 0.00 0.00 175.76 174.97 3dx2 n ILE 203 N 3.28 0.35 0.02 0.00 -5.35 -1.26 -3.12 119.36 113.28 3dx2 n ILE 203 Ca 0.13 -0.46 0.01 0.00 -0.27 0.00 0.00 62.75 62.16 3dx2 n ILE 203 Cb 0.36 -0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.13 3dx2 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3dx2 n ASP 204 N -2.39 3.47 -4.68 7.28 2.03 -1.26 -4.38 116.55 116.63 3dx2 n ASP 204 Ca -0.00 -0.13 -0.38 0.00 0.52 0.00 0.00 54.79 54.80 3dx2 n ASP 204 Cb 0.52 1.07 0.05 0.00 -0.72 0.00 0.00 41.12 42.05 3dx2 n ASP 204 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3dx2 n PRO 205 N -1.45 1.14 -2.78 -0.67 -0.02 -1.26 -4.82 135.00 125.14 3dx2 n PRO 205 Ca -0.00 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3dx2 n PRO 205 Cb 0.05 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3dx2 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dx2 n PHE 206 N -1.61 3.93 0.00 6.00 3.72 -1.26 -4.41 117.46 123.83 3dx2 n PHE 206 Ca 0.14 -3.12 0.00 0.00 -0.05 0.00 0.00 57.45 54.41 3dx2 n PHE 206 Cb 0.47 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.08 3dx2 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dx2 n GLY 207 N 3.09 2.30 3.09 1.37 0.00 -1.03 -4.57 105.19 109.43 3dx2 n GLY 207 Ca 0.35 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 3dx2 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dx2 s HIS 208 N -2.91 0.99 -0.03 1.61 3.76 -1.09 -4.61 115.29 113.02 3dx2 s HIS 208 Ca 0.00 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 3dx2 s HIS 208 Cb 0.00 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 3dx2 s HIS 208 CO 0.00 0.00 -0.15 0.45 -0.85 0.00 0.00 174.74 174.19 3dx2 s SER 209 N -0.87 3.94 0.00 1.40 0.15 -1.26 -0.95 113.70 116.11 3dx2 s SER 209 Ca 0.01 -0.25 0.13 0.00 0.70 0.00 0.00 55.95 56.54 3dx2 s SER 209 Cb -0.07 -0.78 0.63 0.00 -1.71 0.00 0.00 66.02 64.10 3dx2 s SER 209 CO 0.01 0.33 1.39 -0.81 1.20 0.00 0.00 173.24 175.35 3dx2 n PRO 210 N 2.15 0.10 0.26 5.44 -0.04 -1.26 -1.87 135.00 139.78 3dx2 n PRO 210 Ca -0.17 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 3dx2 n PRO 210 Cb 0.52 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.17 3dx2 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dx2 h THR 211 N 0.00 0.90 0.58 0.52 2.02 -1.94 -2.35 112.91 112.64 3dx2 h THR 211 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3dx2 h THR 211 Cb 0.17 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3dx2 h THR 211 CO 0.00 0.02 -0.28 0.24 0.37 0.00 0.00 175.52 175.88 3dx2 h MET 212 N 0.00 -0.75 -0.31 6.66 2.86 -1.78 -1.64 114.93 119.96 3dx2 h MET 212 Ca -0.00 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3dx2 h MET 212 Cb 0.05 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3dx2 h MET 212 CO 0.00 -0.44 0.21 -1.00 1.06 0.00 0.00 176.91 176.74 3dx2 h PRO 213 N -1.03 0.26 0.06 -0.22 0.13 -1.74 0.11 132.00 129.58 3dx2 h PRO 213 Ca -0.08 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3dx2 h PRO 213 Cb 0.66 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 3dx2 h PRO 213 CO 0.13 0.18 -0.24 -0.92 -0.23 0.00 0.00 178.00 176.92 3dx2 h TYR 214 N 0.27 -0.63 -0.27 1.56 3.20 -1.19 0.14 116.97 120.05 3dx2 h TYR 214 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3dx2 h TYR 214 Cb 0.19 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3dx2 h TYR 214 CO -0.00 -0.33 -0.19 0.82 -1.64 0.00 0.00 178.16 176.82 3dx2 h ILE 215 N -0.40 1.30 -0.43 1.81 2.04 -0.82 -2.99 117.51 118.01 3dx2 h ILE 215 Ca 0.04 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3dx2 h ILE 215 Cb 0.45 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3dx2 h ILE 215 CO -0.17 0.42 0.16 -0.07 0.00 0.00 0.00 178.15 178.49 3dx2 h LEU 216 N 0.35 0.61 -1.53 1.44 3.38 -0.67 -1.95 115.31 116.95 3dx2 h LEU 216 Ca 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3dx2 h LEU 216 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3dx2 h LEU 216 CO 0.05 0.63 -0.25 -0.61 0.09 0.00 0.00 178.44 178.36 3dx2 h GLN 217 N 0.56 0.00 -0.05 1.13 -0.00 -0.75 0.29 115.11 116.29 3dx2 h GLN 217 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 3dx2 h GLN 217 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.70 3dx2 h GLN 217 CO -0.01 0.25 0.00 1.63 0.00 0.00 0.00 178.83 180.70 3dx2 n LYS 218 N -4.01 1.44 -0.24 1.69 5.02 -0.93 -3.57 118.16 117.57 3dx2 n LYS 218 Ca -0.02 -0.65 0.09 0.00 -2.02 0.00 0.00 58.31 55.71 3dx2 n LYS 218 Cb 0.32 -1.43 0.16 0.00 -0.02 0.00 0.00 35.03 34.06 3dx2 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dx2 n SER 219 N -0.18 2.23 0.00 4.39 7.64 -0.02 -1.95 113.62 125.74 3dx2 n SER 219 Ca 0.18 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.75 3dx2 n SER 219 Cb 0.25 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3dx2 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dx2 n GLY 220 N -1.32 0.75 3.79 0.23 0.00 -1.07 -4.89 105.19 102.68 3dx2 n GLY 220 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3dx2 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dx2 s PHE 221 N -2.90 2.84 -0.00 1.61 0.40 -0.56 -4.80 117.98 114.57 3dx2 s PHE 221 Ca 0.00 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 3dx2 s PHE 221 Cb 0.00 -3.11 -0.00 0.00 0.51 0.00 0.00 43.02 40.42 3dx2 s PHE 221 CO 0.00 -1.30 0.00 1.63 0.70 0.00 0.00 175.22 176.26 3dx2 n LYS 222 N -1.80 2.25 -3.69 0.44 4.76 0.43 -4.57 118.16 115.97 3dx2 n LYS 222 Ca 0.10 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 3dx2 n LYS 222 Cb 0.52 -0.84 -0.08 0.00 -1.84 0.00 0.00 35.03 32.80 3dx2 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dx2 s ASN 223 N -1.68 -0.29 0.06 4.39 -0.87 -0.99 -3.84 114.94 111.71 3dx2 s ASN 223 Ca -0.00 0.17 -0.08 0.00 -1.57 0.00 0.00 52.86 51.38 3dx2 s ASN 223 Cb 0.00 0.38 -0.00 0.00 -0.02 0.00 0.00 41.25 41.61 3dx2 s ASN 223 CO 0.00 -0.54 0.16 0.00 -2.57 0.00 0.00 177.10 174.16 3dx2 s MET 224 N -1.63 0.75 -0.03 -0.60 0.23 -0.04 -1.02 119.30 116.96 3dx2 s MET 224 Ca -0.11 -0.86 0.03 0.00 -1.03 0.00 0.00 55.69 53.73 3dx2 s MET 224 Cb -0.03 0.30 -0.00 0.00 -1.53 0.00 0.00 34.83 33.57 3dx2 s MET 224 CO 0.03 -0.22 -0.12 -1.17 -2.03 0.00 0.00 175.02 171.51 3dx2 s LEU 225 N -2.55 1.88 0.20 0.18 0.20 -0.02 -0.43 118.68 118.15 3dx2 s LEU 225 Ca 0.01 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.63 3dx2 s LEU 225 Cb 0.03 -0.70 -0.05 0.00 -0.43 0.00 0.00 46.19 45.04 3dx2 s LEU 225 CO -0.08 0.11 -0.05 0.27 -0.29 0.00 0.00 176.35 176.31 3dx2 s ILE 226 N 0.02 1.18 0.00 6.68 -4.36 -0.17 -1.40 121.20 123.16 3dx2 s ILE 226 Ca -0.01 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 3dx2 s ILE 226 Cb -0.08 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.48 3dx2 s ILE 226 CO 0.01 -0.50 0.00 1.67 0.24 0.00 0.00 174.94 176.36 3dx2 n GLN 227 N -0.35 0.00 -2.96 0.37 -0.06 -1.18 -1.40 117.38 111.80 3dx2 n GLN 227 Ca -0.07 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.49 3dx2 n GLN 227 Cb 0.62 -0.17 -0.02 0.00 -4.06 0.00 0.00 30.24 26.62 3dx2 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3dx2 s ARG 228 N -1.88 3.77 0.18 3.69 0.52 -1.26 -4.77 118.95 119.20 3dx2 s ARG 228 Ca 0.00 -2.10 0.10 0.00 -0.52 0.00 0.00 55.73 53.21 3dx2 s ARG 228 Cb 0.00 -4.93 -0.04 0.00 0.52 0.00 0.00 34.95 30.50 3dx2 s ARG 228 CO 0.00 -1.73 -0.21 0.95 0.02 0.00 0.00 175.30 174.33 3dx2 s THR 229 N 2.10 2.07 0.23 0.02 -4.23 -1.26 -2.48 115.64 112.08 3dx2 s THR 229 Ca 0.35 -1.98 -0.31 0.00 -1.18 0.00 0.00 61.69 58.57 3dx2 s THR 229 Cb -0.05 -1.97 -0.15 0.00 1.34 0.00 0.00 72.50 71.67 3dx2 s THR 229 CO -0.06 -0.23 1.18 1.57 -0.54 0.00 0.00 174.62 176.53 3dx2 n HIS 230 N 0.25 1.51 0.05 3.99 -0.00 -1.26 -4.74 115.22 115.02 3dx2 n HIS 230 Ca -0.13 0.63 0.16 0.00 0.46 0.00 0.00 57.72 58.84 3dx2 n HIS 230 Cb 0.57 -2.31 0.65 0.00 -0.12 0.00 0.00 29.99 28.77 3dx2 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3dx2 h TYR 231 N 3.14 0.07 -0.10 1.57 -0.00 -1.81 -0.52 116.97 119.32 3dx2 h TYR 231 Ca -0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.15 3dx2 h TYR 231 Cb 1.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 38.02 3dx2 h TYR 231 CO 0.53 0.03 -0.60 0.77 -0.00 0.00 0.00 178.16 178.89 3dx2 h SER 232 N 0.07 0.38 -0.30 0.10 0.02 -1.88 -1.83 113.55 110.10 3dx2 h SER 232 Ca 0.20 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3dx2 h SER 232 Cb 0.69 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3dx2 h SER 232 CO -0.01 0.88 -0.10 0.58 -1.14 0.00 0.00 176.83 177.04 3dx2 h VAL 233 N 0.25 1.29 -0.63 2.27 2.07 -1.47 -1.48 116.25 118.54 3dx2 h VAL 233 Ca -0.00 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3dx2 h VAL 233 Cb 1.11 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3dx2 h VAL 233 CO 0.10 0.37 0.34 0.11 0.02 0.00 0.00 177.57 178.51 3dx2 h LYS 234 N 0.37 0.61 -0.44 1.57 1.57 -1.19 0.34 116.57 119.40 3dx2 h LYS 234 Ca 0.07 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3dx2 h LYS 234 Cb 0.60 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3dx2 h LYS 234 CO 0.04 0.40 0.10 -0.22 -0.57 0.00 0.00 179.45 179.20 3dx2 h LYS 235 N 0.63 0.70 -0.19 3.15 3.64 -1.19 0.59 116.57 123.89 3dx2 h LYS 235 Ca 0.28 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3dx2 h LYS 235 Cb 0.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3dx2 h LYS 235 CO -0.18 0.71 0.02 1.49 -2.27 0.00 0.00 179.45 179.21 3dx2 h GLU 236 N 0.57 0.32 -0.37 1.90 4.57 -0.82 -2.08 114.58 118.68 3dx2 h GLU 236 Ca 0.14 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 3dx2 h GLU 236 Cb 0.32 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3dx2 h GLU 236 CO 0.00 0.50 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.93 3dx2 h LEU 237 N 0.11 0.86 -0.93 1.64 3.38 -0.88 -2.96 115.31 116.51 3dx2 h LEU 237 Ca 0.06 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3dx2 h LEU 237 Cb 0.34 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3dx2 h LEU 237 CO 0.01 1.11 0.60 0.00 0.09 0.00 0.00 178.44 180.24 3dx2 h ALA 238 N 0.94 1.26 0.00 1.53 0.00 -0.75 0.22 119.26 122.46 3dx2 h ALA 238 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dx2 h ALA 238 Cb 0.88 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dx2 h ALA 238 CO 0.08 0.41 -0.13 1.96 0.00 0.00 0.00 179.25 181.57 3dx2 h GLN 239 N 1.12 0.00 -0.29 0.00 4.20 -1.21 -1.53 115.11 117.40 3dx2 h GLN 239 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3dx2 h GLN 239 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3dx2 h GLN 239 CO -0.15 0.13 0.00 1.04 -0.67 0.00 0.00 178.83 179.18 3dx2 n GLN 240 N -4.34 2.37 -3.88 1.46 1.13 -0.87 -4.96 117.38 108.30 3dx2 n GLN 240 Ca -0.03 -2.15 -0.25 0.00 -1.94 0.00 0.00 57.00 52.64 3dx2 n GLN 240 Cb 0.20 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 3dx2 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dx2 n ARG 241 N 1.38 -3.97 -0.77 -1.09 1.74 -0.46 -4.90 116.66 108.60 3dx2 n ARG 241 Ca 0.17 0.49 -0.03 0.00 -0.77 0.00 0.00 57.85 57.71 3dx2 n ARG 241 Cb 0.58 -4.83 0.20 0.00 -1.02 0.00 0.00 32.46 27.39 3dx2 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3dx2 n GLN 242 N -4.37 1.82 0.16 5.56 6.02 0.64 -4.61 117.38 122.59 3dx2 n GLN 242 Ca -0.27 -3.20 0.12 0.00 -0.01 0.00 0.00 57.00 53.64 3dx2 n GLN 242 Cb 0.67 -1.79 0.28 0.00 1.02 0.00 0.00 30.24 30.42 3dx2 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dx2 h LEU 243 N 1.01 0.00 -8.59 1.08 3.38 -1.82 -3.42 115.31 106.96 3dx2 h LEU 243 Ca 0.19 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.50 3dx2 h LEU 243 Cb 1.56 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.05 3dx2 h LEU 243 CO 0.33 0.00 -0.75 -1.61 0.09 0.00 0.00 178.44 176.50 3dx2 s GLU 244 N -3.16 3.40 0.12 1.13 2.02 -1.26 -0.31 118.70 120.64 3dx2 s GLU 244 Ca 0.09 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 3dx2 s GLU 244 Cb 0.09 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.66 3dx2 s GLU 244 CO 0.64 0.16 0.39 -0.59 0.02 0.00 0.00 175.26 175.88 3dx2 s PHE 245 N 0.51 -0.19 -0.51 1.61 -0.12 -0.34 -4.22 117.98 114.72 3dx2 s PHE 245 Ca -0.08 -0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 56.46 3dx2 s PHE 245 Cb -0.15 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.53 3dx2 s PHE 245 CO 0.04 -0.70 0.70 -0.51 -0.05 0.00 0.00 175.22 174.70 3dx2 s LEU 246 N -2.81 4.71 -0.42 -1.99 1.43 0.30 -0.54 118.68 119.37 3dx2 s LEU 246 Ca 0.03 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 3dx2 s LEU 246 Cb 0.02 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.69 3dx2 s LEU 246 CO -0.12 -0.95 0.75 0.86 0.23 0.00 0.00 176.35 177.13 3dx2 s TRP 247 N 2.94 3.04 0.32 0.29 -0.11 -0.29 -1.43 118.94 123.71 3dx2 s TRP 247 Ca 0.19 0.25 0.08 0.00 1.22 0.00 0.00 56.10 57.84 3dx2 s TRP 247 Cb -0.17 -3.51 -0.04 0.00 -1.50 0.00 0.00 33.47 28.25 3dx2 s TRP 247 CO 0.14 -0.88 0.17 -0.98 -4.62 0.00 0.00 176.95 170.79 3dx2 s ARG 248 N 3.13 2.52 0.65 5.86 1.70 -0.22 -1.12 118.95 131.47 3dx2 s ARG 248 Ca 0.29 -1.41 -0.16 0.00 -0.47 0.00 0.00 55.73 53.97 3dx2 s ARG 248 Cb -0.13 -2.30 -0.01 0.00 -0.57 0.00 0.00 34.95 31.95 3dx2 s ARG 248 CO 0.20 0.16 1.14 -0.65 -1.08 0.00 0.00 175.30 175.08 3dx2 s GLN 249 N -3.87 2.78 0.52 3.89 -1.52 -1.26 -4.34 119.66 115.86 3dx2 s GLN 249 Ca 0.37 1.55 0.25 0.00 -1.95 0.00 0.00 55.36 55.58 3dx2 s GLN 249 Cb -0.04 -1.93 1.43 0.00 -0.22 0.00 0.00 33.01 32.25 3dx2 s GLN 249 CO 0.24 -1.30 2.10 -0.84 -0.25 0.00 0.00 175.29 175.24 3dx2 h ILE 250 N 0.26 0.69 -0.06 1.08 3.07 -1.94 -1.69 117.51 118.92 3dx2 h ILE 250 Ca -0.48 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.51 3dx2 h ILE 250 Cb 1.26 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3dx2 h ILE 250 CO 0.54 0.10 0.00 -2.67 -1.05 0.00 0.00 178.15 175.07 3dx2 n TRP 251 N -3.86 0.05 -2.89 0.16 2.14 -1.26 -4.64 117.44 107.15 3dx2 n TRP 251 Ca -0.02 -0.03 -0.43 0.00 2.07 0.00 0.00 57.50 59.09 3dx2 n TRP 251 Cb 0.20 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.66 3dx2 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3dx2 s ASP 252 N -1.94 6.22 0.20 -0.67 2.15 -0.64 -4.70 116.67 117.29 3dx2 s ASP 252 Ca 0.32 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 52.18 3dx2 s ASP 252 Cb 0.20 -2.41 0.14 0.00 -0.30 0.00 0.00 42.92 40.56 3dx2 s ASP 252 CO 0.31 -1.38 1.49 -1.13 -0.17 0.00 0.00 175.17 174.29 3dx2 h ASN 253 N 9.47 0.40 0.40 -0.34 -1.24 -1.88 -3.31 115.58 119.08 3dx2 h ASN 253 Ca -0.24 -0.25 -0.32 0.00 0.71 0.00 0.00 56.30 56.20 3dx2 h ASN 253 Cb 1.07 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 40.01 3dx2 h ASN 253 CO 1.17 0.95 -1.49 0.50 -1.29 0.00 0.00 177.43 177.27 3dx2 h LYS 254 N 0.25 0.36 0.00 6.67 3.64 -1.98 -3.44 116.57 122.06 3dx2 h LYS 254 Ca -0.02 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 3dx2 h LYS 254 Cb 1.21 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3dx2 h LYS 254 CO 0.11 1.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 3dx2 n GLY 255 N 1.68 1.06 0.23 5.01 0.00 -1.25 -4.99 105.19 106.93 3dx2 n GLY 255 Ca -0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.02 3dx2 n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dx2 h ASP 256 N 0.00 0.00 0.53 1.61 3.32 -1.94 -1.61 116.42 118.33 3dx2 h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dx2 h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dx2 h ASP 256 CO 0.00 0.00 -0.09 0.35 -1.72 0.00 0.00 179.24 177.78 3dx2 n THR 257 N -2.73 0.00 -1.77 0.35 -2.24 -1.26 -4.97 114.28 101.66 3dx2 n THR 257 Ca 0.01 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3dx2 n THR 257 Cb 0.23 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3dx2 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx2 n ALA 258 N -1.18 2.26 -3.63 6.98 0.00 -0.61 -4.71 120.51 119.63 3dx2 n ALA 258 Ca 0.13 0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 3dx2 n ALA 258 Cb 0.28 -2.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.16 3dx2 n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dx2 s LEU 259 N -2.02 1.29 0.19 0.00 2.96 -0.28 -4.88 118.68 115.95 3dx2 s LEU 259 Ca 0.54 -0.13 -0.32 0.00 -0.22 0.00 0.00 54.13 54.00 3dx2 s LEU 259 Cb -0.48 -0.46 -0.12 0.00 0.50 0.00 0.00 46.19 45.63 3dx2 s LEU 259 CO 0.63 -0.06 1.75 0.12 -1.32 0.00 0.00 176.35 177.47 3dx2 s PHE 260 N 0.99 2.77 -0.04 5.38 5.36 -1.25 -1.14 117.98 130.05 3dx2 s PHE 260 Ca -0.10 0.27 0.03 0.00 -0.96 0.00 0.00 56.93 56.16 3dx2 s PHE 260 Cb -0.14 -4.15 0.01 0.00 -0.34 0.00 0.00 43.02 38.39 3dx2 s PHE 260 CO -0.00 -4.45 -0.10 0.99 -1.46 0.00 0.00 175.22 170.19 3dx2 s THR 261 N 1.45 0.92 -0.25 0.12 2.01 0.30 -0.86 115.64 119.33 3dx2 s THR 261 Ca 0.76 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 3dx2 s THR 261 Cb -0.49 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3dx2 s THR 261 CO 0.33 0.29 0.02 -2.28 -0.69 0.00 0.00 174.62 172.29 3dx2 s HIS 262 N 0.31 3.06 -0.23 4.92 2.46 0.43 -1.20 115.29 125.03 3dx2 s HIS 262 Ca -0.06 -0.88 -0.14 0.00 0.47 0.00 0.00 55.06 54.45 3dx2 s HIS 262 Cb -0.11 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.12 3dx2 s HIS 262 CO 0.01 -0.53 0.34 1.41 -2.47 0.00 0.00 174.74 173.50 3dx2 s MET 263 N 1.51 4.11 0.57 2.88 1.75 0.58 -1.00 119.30 129.69 3dx2 s MET 263 Ca 0.04 0.05 -0.18 0.00 -1.25 0.00 0.00 55.69 54.35 3dx2 s MET 263 Cb -0.16 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.90 3dx2 s MET 263 CO 0.00 -0.08 1.13 -1.64 -0.65 0.00 0.00 175.02 173.77 3dx2 s MET 264 N 1.47 3.23 0.03 4.11 -1.94 -0.49 -4.77 119.30 120.93 3dx2 s MET 264 Ca 0.15 1.56 0.23 0.00 -1.71 0.00 0.00 55.69 55.93 3dx2 s MET 264 Cb -0.15 -1.99 0.15 0.00 2.01 0.00 0.00 34.83 34.85 3dx2 s MET 264 CO 0.08 -0.94 1.13 -0.35 -0.01 0.00 0.00 175.02 174.93 3dx2 n PRO 265 N -1.55 0.15 -3.85 2.03 -0.04 -1.26 -4.85 135.00 125.64 3dx2 n PRO 265 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 3dx2 n PRO 265 Cb 0.51 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3dx2 n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dx2 n PHE 266 N -1.75 0.11 0.18 0.54 3.72 -1.26 -4.81 117.46 114.18 3dx2 n PHE 266 Ca 0.03 -2.03 0.03 0.00 -0.05 0.00 0.00 57.45 55.43 3dx2 n PHE 266 Cb 0.39 -0.33 0.31 0.00 -0.94 0.00 0.00 39.48 38.91 3dx2 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3dx2 h TYR 267 N 0.92 0.00 -4.19 1.38 3.20 -1.95 -3.46 116.97 112.87 3dx2 h TYR 267 Ca -0.32 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.39 3dx2 h TYR 267 Cb 1.07 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.21 3dx2 h TYR 267 CO 0.00 0.44 -0.49 0.45 -1.64 0.00 0.00 178.16 176.92 3dx2 s SER 268 N -6.69 0.16 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.92 3dx2 s SER 268 Ca -0.01 -1.09 0.23 0.00 0.70 0.00 0.00 55.95 55.78 3dx2 s SER 268 Cb 0.13 0.38 0.68 0.00 -1.71 0.00 0.00 66.02 65.50 3dx2 s SER 268 CO 0.72 -0.83 1.52 0.00 1.20 0.00 0.00 173.24 175.85 3dx2 n TYR 269 N -0.18 0.21 -1.23 3.44 0.18 -1.26 -4.49 117.16 113.83 3dx2 n TYR 269 Ca -0.05 -0.11 -0.29 0.00 1.88 0.00 0.00 57.90 59.34 3dx2 n TYR 269 Cb 0.64 0.00 0.18 0.00 -0.38 0.00 0.00 39.34 39.77 3dx2 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3dx2 s ASP 270 N -1.67 2.56 0.16 9.48 1.47 -1.26 -4.61 116.67 122.81 3dx2 s ASP 270 Ca 0.34 1.07 -0.12 0.00 1.18 0.00 0.00 52.55 55.02 3dx2 s ASP 270 Cb 0.19 -1.69 0.05 0.00 -0.34 0.00 0.00 42.92 41.14 3dx2 s ASP 270 CO 0.29 -3.16 1.70 0.40 0.68 0.00 0.00 175.17 175.08 3dx2 h ILE 271 N -1.91 1.23 -0.23 2.11 2.04 -1.89 -1.76 117.51 117.11 3dx2 h ILE 271 Ca -0.54 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 64.61 3dx2 h ILE 271 Cb 1.33 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3dx2 h ILE 271 CO 0.57 0.29 0.30 -0.65 0.00 0.00 0.00 178.15 178.66 3dx2 h PRO 272 N 0.77 0.00 -0.20 2.37 0.11 -1.87 -2.20 132.00 130.97 3dx2 h PRO 272 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3dx2 h PRO 272 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3dx2 h PRO 272 CO -0.01 0.00 -0.02 0.72 -0.21 0.00 0.00 178.00 178.49 3dx2 n HIS 273 N -3.58 0.72 0.00 0.65 8.25 -0.70 -3.88 115.22 116.68 3dx2 n HIS 273 Ca 0.03 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 3dx2 n HIS 273 Cb 0.43 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3dx2 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dx2 n THR 274 N -0.82 0.00 0.17 1.59 -2.24 -0.83 -4.58 114.28 107.56 3dx2 n THR 274 Ca 0.22 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 3dx2 n THR 274 Cb 0.85 0.78 0.09 0.00 -2.10 0.00 0.00 70.33 69.94 3dx2 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx2 n GLY 276 N 1.17 -2.36 0.21 0.00 0.00 -1.26 -3.43 105.19 99.51 3dx2 n GLY 276 Ca 0.02 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.94 3dx2 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dx2 h PRO 277 N 0.00 0.00 -4.34 1.61 0.13 -1.93 -3.43 132.00 124.05 3dx2 h PRO 277 Ca 0.00 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.40 3dx2 h PRO 277 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 3dx2 h PRO 277 CO 0.00 0.00 -0.39 0.34 -0.23 0.00 0.00 178.00 177.72 3dx2 s ASP 278 N -5.26 5.81 0.50 1.44 -1.08 -1.26 -3.25 116.67 113.56 3dx2 s ASP 278 Ca 0.04 -1.63 0.27 0.00 -0.52 0.00 0.00 52.55 50.71 3dx2 s ASP 278 Cb 0.09 -2.05 1.26 0.00 -1.46 0.00 0.00 42.92 40.76 3dx2 s ASP 278 CO 0.53 -0.64 1.98 1.55 0.52 0.00 0.00 175.17 179.11 3dx2 h PRO 279 N 8.54 0.00 -0.47 4.34 0.13 -1.79 -0.43 132.00 142.32 3dx2 h PRO 279 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dx2 h PRO 279 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3dx2 h PRO 279 CO 0.84 0.15 0.28 -0.22 -0.23 0.00 0.00 178.00 178.82 3dx2 h LYS 280 N 0.00 0.63 0.00 0.86 3.64 -1.92 0.62 116.57 120.40 3dx2 h LYS 280 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dx2 h LYS 280 Cb 0.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3dx2 h LYS 280 CO 0.02 0.45 -0.01 0.28 -2.27 0.00 0.00 179.45 177.92 3dx2 h VAL 281 N 0.64 1.77 -0.27 2.00 2.07 -1.66 -3.36 116.25 117.44 3dx2 h VAL 281 Ca 0.17 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3dx2 h VAL 281 Cb -0.01 3.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3dx2 h VAL 281 CO -0.03 0.59 0.06 0.00 0.02 0.00 0.00 177.57 178.21 3dx2 n GLN 284 N -4.40 0.28 -0.19 0.00 6.02 -0.32 -2.05 117.38 116.73 3dx2 n GLN 284 Ca 0.01 0.11 0.08 0.00 -0.01 0.00 0.00 57.00 57.19 3dx2 n GLN 284 Cb 0.26 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.18 3dx2 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3dx2 n PHE 285 N -1.23 0.33 -3.40 1.08 3.72 -0.01 -4.17 117.46 113.78 3dx2 n PHE 285 Ca 0.09 -0.87 -0.44 0.00 -0.05 0.00 0.00 57.45 56.17 3dx2 n PHE 285 Cb 0.11 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 3dx2 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dx2 s ASP 286 N -2.23 6.19 0.00 4.37 -1.08 -0.87 -4.95 116.67 118.10 3dx2 s ASP 286 Ca 0.31 -2.17 0.25 0.00 -0.52 0.00 0.00 52.55 50.42 3dx2 s ASP 286 Cb 0.26 -2.14 1.49 0.00 -1.46 0.00 0.00 42.92 41.07 3dx2 s ASP 286 CO 0.05 -0.70 1.86 0.49 0.52 0.00 0.00 175.17 177.39 3dx2 n PHE 287 N 4.65 0.00 1.66 -5.34 3.72 -1.26 -1.52 117.46 119.38 3dx2 n PHE 287 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 3dx2 n PHE 287 Cb 0.42 0.00 0.80 0.00 -0.94 0.00 0.00 39.48 39.76 3dx2 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3dx2 n LYS 288 N -0.99 0.78 -1.07 -1.08 4.81 -1.26 -4.17 118.16 115.18 3dx2 n LYS 288 Ca 0.19 -0.10 -0.11 0.00 -0.87 0.00 0.00 58.31 57.42 3dx2 n LYS 288 Cb 0.09 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 33.90 3dx2 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dx2 n ARG 289 N -1.03 3.10 0.00 1.64 1.74 -0.57 -4.46 116.66 117.08 3dx2 n ARG 289 Ca 0.18 -3.07 0.12 0.00 -0.77 0.00 0.00 57.85 54.32 3dx2 n ARG 289 Cb 0.20 -2.17 0.25 0.00 -1.02 0.00 0.00 32.46 29.71 3dx2 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3dx2 n MET 290 N -0.56 0.79 0.00 5.56 2.81 -1.26 -4.35 117.12 120.11 3dx2 n MET 290 Ca 0.46 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3dx2 n MET 290 Cb 1.45 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.47 3dx2 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dx2 n GLY 291 N 1.39 4.06 0.18 3.03 0.00 -1.24 -4.98 105.19 107.61 3dx2 n GLY 291 Ca 0.10 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.50 3dx2 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dx2 h SER 292 N 0.72 0.00 -0.32 1.61 4.64 -1.89 -2.02 113.55 116.29 3dx2 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dx2 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dx2 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3dx2 n PHE 293 N -2.45 0.41 -1.57 4.77 3.72 -1.26 -4.96 117.46 116.11 3dx2 n PHE 293 Ca 0.01 -0.20 -0.09 0.00 -0.05 0.00 0.00 57.45 57.11 3dx2 n PHE 293 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3dx2 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dx2 n GLY 294 N 1.42 0.75 3.38 1.37 0.00 -0.76 -5.02 105.19 106.34 3dx2 n GLY 294 Ca 0.18 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 3dx2 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx2 s LEU 295 N -2.35 2.43 0.30 0.99 1.43 -1.26 -5.08 118.68 115.15 3dx2 s LEU 295 Ca 0.00 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3dx2 s LEU 295 Cb 0.00 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.20 3dx2 s LEU 295 CO 0.00 0.06 0.49 -0.94 0.23 0.00 0.00 176.35 176.18 3dx2 s SER 296 N -2.64 0.41 -0.31 2.29 1.04 -1.26 -3.74 113.70 109.49 3dx2 s SER 296 Ca 0.18 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 3dx2 s SER 296 Cb -0.07 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3dx2 s SER 296 CO 0.08 -1.25 0.23 0.00 0.98 0.00 0.00 173.24 173.28 3dx2 n PRO 298 N 5.11 0.16 0.00 0.00 -0.04 -1.26 -1.20 135.00 137.77 3dx2 n PRO 298 Ca -0.13 0.41 0.16 0.00 -0.04 0.00 0.00 63.50 63.90 3dx2 n PRO 298 Cb 0.51 -1.82 0.86 0.00 -0.04 0.00 0.00 33.50 33.01 3dx2 n PRO 298 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3dx2 n TRP 299 N -2.12 0.00 -1.00 0.54 8.01 -1.26 -4.92 117.44 116.70 3dx2 n TRP 299 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3dx2 n TRP 299 Cb 0.20 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 3dx2 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dx2 n LYS 300 N -0.83 -0.10 -3.96 -0.99 5.02 -0.34 -5.00 118.16 111.96 3dx2 n LYS 300 Ca 0.22 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 56.19 3dx2 n LYS 300 Cb 0.16 -3.04 -0.14 0.00 -0.02 0.00 0.00 35.03 31.99 3dx2 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dx2 s VAL 301 N -2.24 2.91 0.64 -0.18 1.01 -1.26 -5.06 120.40 116.21 3dx2 s VAL 301 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 3dx2 s VAL 301 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3dx2 s VAL 301 CO 0.00 0.29 1.04 -2.16 0.00 0.00 0.00 175.10 174.27 3dx2 s PRO 302 N 1.36 3.40 0.70 2.72 0.04 -1.26 -4.49 135.00 137.47 3dx2 s PRO 302 Ca 0.02 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 3dx2 s PRO 302 Cb -0.16 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3dx2 s PRO 302 CO -0.05 -0.73 1.18 -2.14 0.04 0.00 0.00 177.00 175.30 3dx2 s PRO 303 N -5.13 2.41 -0.04 0.56 0.02 -1.26 -4.77 135.00 126.79 3dx2 s PRO 303 Ca 0.56 1.67 0.05 0.00 0.02 0.00 0.00 61.00 63.30 3dx2 s PRO 303 Cb -0.12 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 3dx2 s PRO 303 CO 0.54 -1.61 -0.20 1.03 -0.33 0.00 0.00 177.00 176.44 3dx2 s ARG 304 N -3.89 1.92 0.19 5.54 0.52 -1.26 -4.83 118.95 117.15 3dx2 s ARG 304 Ca 0.73 -0.71 -0.33 0.00 -0.52 0.00 0.00 55.73 54.90 3dx2 s ARG 304 Cb -0.27 -1.70 -0.14 0.00 0.52 0.00 0.00 34.95 33.36 3dx2 s ARG 304 CO 0.43 0.33 1.41 2.41 0.02 0.00 0.00 175.30 179.89 3dx2 n THR 305 N 2.95 0.59 -2.51 0.02 -1.04 -1.26 -4.91 114.28 108.12 3dx2 n THR 305 Ca -0.17 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 3dx2 n THR 305 Cb 0.53 -1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 3dx2 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3dx2 s ILE 306 N 0.23 4.20 0.30 12.58 -1.09 -1.26 -4.97 121.20 131.19 3dx2 s ILE 306 Ca 0.73 1.63 0.03 0.00 -2.23 0.00 0.00 60.65 60.81 3dx2 s ILE 306 Cb -0.72 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 3dx2 s ILE 306 CO 0.47 0.16 0.13 -0.94 -1.23 0.00 0.00 174.94 173.52 3dx2 s SER 307 N 0.82 1.65 0.44 3.58 1.04 -1.26 -4.99 113.70 114.97 3dx2 s SER 307 Ca 0.55 -1.50 0.10 0.00 0.48 0.00 0.00 55.95 55.58 3dx2 s SER 307 Cb -0.27 0.29 0.97 0.00 0.10 0.00 0.00 66.02 67.11 3dx2 s SER 307 CO 0.30 -0.82 2.07 0.44 0.98 0.00 0.00 173.24 176.21 3dx2 h ASP 308 N 2.21 0.31 1.21 7.02 3.32 -2.00 0.60 116.42 129.08 3dx2 h ASP 308 Ca -0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3dx2 h ASP 308 Cb 1.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3dx2 h ASP 308 CO 0.57 0.25 0.00 1.56 -1.72 0.00 0.00 179.24 179.90 3dx2 h GLN 309 N 0.36 0.00 0.00 3.56 7.50 -1.99 -3.31 115.11 121.23 3dx2 h GLN 309 Ca 0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.24 3dx2 h GLN 309 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 3dx2 h GLN 309 CO -0.02 0.00 0.00 0.27 -1.50 0.00 0.00 178.83 177.58 3dx2 n ASN 310 N -2.47 0.34 -0.04 1.46 0.23 -0.93 -4.81 115.26 109.03 3dx2 n ASN 310 Ca 0.03 -0.66 -0.02 0.00 -0.53 0.00 0.00 54.58 53.41 3dx2 n ASN 310 Cb 0.35 0.48 0.24 0.00 -2.08 0.00 0.00 39.78 38.77 3dx2 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3dx2 h VAL 311 N 0.08 1.22 -0.34 3.53 3.04 -0.98 -0.46 116.25 122.33 3dx2 h VAL 311 Ca 0.00 -0.89 -0.05 0.00 -1.01 0.00 0.00 66.70 64.75 3dx2 h VAL 311 Cb 0.04 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 3dx2 h VAL 311 CO 0.00 0.31 0.02 0.00 -1.01 0.00 0.00 177.57 176.89 3dx2 h ALA 312 N 1.40 0.46 -0.24 3.17 0.00 -1.85 0.11 119.26 122.31 3dx2 h ALA 312 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dx2 h ALA 312 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dx2 h ALA 312 CO 0.02 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.53 3dx2 h ALA 313 N 0.87 0.31 -0.65 0.00 0.00 -1.77 -1.09 119.26 116.93 3dx2 h ALA 313 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dx2 h ALA 313 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3dx2 h ALA 313 CO 0.01 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.45 3dx2 h ARG 314 N 0.21 1.00 -0.58 0.00 2.47 -0.97 -2.21 114.38 114.29 3dx2 h ARG 314 Ca 0.07 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 3dx2 h ARG 314 Cb 0.28 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3dx2 h ARG 314 CO 0.00 0.86 0.27 0.77 0.56 0.00 0.00 179.97 182.43 3dx2 h SER 315 N 0.93 0.77 -0.63 7.04 0.02 -0.67 -1.07 113.55 119.95 3dx2 h SER 315 Ca 0.21 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3dx2 h SER 315 Cb 0.27 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 3dx2 h SER 315 CO -0.01 0.70 0.32 -0.78 -1.14 0.00 0.00 176.83 175.92 3dx2 h ASP 316 N 0.80 0.44 -0.40 3.07 3.58 -0.89 0.15 116.42 123.17 3dx2 h ASP 316 Ca 0.20 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 3dx2 h ASP 316 Cb 0.14 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3dx2 h ASP 316 CO -0.02 0.28 0.13 -0.07 -2.88 0.00 0.00 179.24 176.68 3dx2 h LEU 317 N 0.58 0.58 -0.14 2.28 3.38 -1.06 -2.30 115.31 118.64 3dx2 h LEU 317 Ca 0.29 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3dx2 h LEU 317 Cb 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dx2 h LEU 317 CO -0.21 0.63 -0.23 0.25 0.09 0.00 0.00 178.44 178.97 3dx2 h LEU 318 N 0.51 0.44 -1.21 1.67 5.85 -0.90 -2.57 115.31 119.11 3dx2 h LEU 318 Ca 0.13 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3dx2 h LEU 318 Cb 0.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3dx2 h LEU 318 CO -0.01 0.89 0.30 0.58 -0.34 0.00 0.00 178.44 179.87 3dx2 h VAL 319 N 0.00 1.20 -0.68 1.05 2.07 -0.74 -0.74 116.25 118.40 3dx2 h VAL 319 Ca 0.01 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3dx2 h VAL 319 Cb 0.80 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3dx2 h VAL 319 CO 0.05 0.23 0.44 -0.78 0.02 0.00 0.00 177.57 177.53 3dx2 h ASP 320 N 0.85 0.75 -0.35 0.57 3.58 -1.32 0.78 116.42 121.28 3dx2 h ASP 320 Ca 0.21 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3dx2 h ASP 320 Cb 0.07 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3dx2 h ASP 320 CO -0.03 0.53 0.22 1.56 -2.88 0.00 0.00 179.24 178.64 3dx2 h GLN 321 N 0.89 0.46 -0.62 0.28 1.08 -0.87 -1.88 115.11 114.45 3dx2 h GLN 321 Ca 0.26 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3dx2 h GLN 321 Cb -0.05 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3dx2 h GLN 321 CO -0.08 0.33 0.39 -1.49 -0.95 0.00 0.00 178.83 177.03 3dx2 h TRP 322 N 0.46 0.80 -0.15 2.96 6.55 -0.75 -0.41 115.95 125.41 3dx2 h TRP 322 Ca 0.13 0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.88 3dx2 h TRP 322 Cb -0.02 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.00 3dx2 h TRP 322 CO -0.05 0.53 -0.33 0.87 -1.05 0.00 0.00 178.44 178.41 3dx2 h LYS 323 N 0.84 0.30 -0.12 0.49 1.57 -0.71 0.90 116.57 119.84 3dx2 h LYS 323 Ca 0.22 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3dx2 h LYS 323 Cb -0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dx2 h LYS 323 CO -0.04 0.61 0.03 0.87 -0.57 0.00 0.00 179.45 180.35 3dx2 h LYS 324 N 0.26 0.18 -0.93 3.15 1.57 -0.93 -2.53 116.57 117.35 3dx2 h LYS 324 Ca 0.03 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3dx2 h LYS 324 Cb 0.72 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3dx2 h LYS 324 CO 0.05 0.33 0.60 -0.22 -0.57 0.00 0.00 179.45 179.65 3dx2 h LYS 325 N 0.00 1.13 0.00 3.15 3.64 -0.66 -2.00 116.57 121.83 3dx2 h LYS 325 Ca 0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3dx2 h LYS 325 Cb 0.23 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3dx2 h LYS 325 CO -0.00 0.74 -0.09 0.00 -2.27 0.00 0.00 179.45 177.84 3dx2 h ALA 326 N 1.39 1.54 -0.02 5.00 0.00 -0.67 -1.55 119.26 124.96 3dx2 h ALA 326 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3dx2 h ALA 326 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dx2 h ALA 326 CO -0.13 0.11 0.06 0.93 0.00 0.00 0.00 179.25 180.22 3dx2 h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -0.92 -2.42 114.58 115.62 3dx2 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dx2 h GLU 327 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3dx2 h GLU 327 CO 0.01 0.00 -0.19 1.28 -1.16 0.00 0.00 179.01 178.96 3dx2 n LEU 328 N -3.23 0.68 -4.41 1.33 4.77 -0.58 -4.90 117.00 110.65 3dx2 n LEU 328 Ca -0.02 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.67 3dx2 n LEU 328 Cb 0.14 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3dx2 n LEU 328 CO 0.21 0.13 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.71 3dx2 s TYR 329 N -2.53 1.89 -0.35 -1.77 2.02 -0.91 -4.41 117.35 111.28 3dx2 s TYR 329 Ca 0.26 -0.70 0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3dx2 s TYR 329 Cb 0.20 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3dx2 s TYR 329 CO 0.51 0.26 0.95 0.54 -1.57 0.00 0.00 175.55 176.24 3dx2 n ARG 330 N -0.54 0.49 -3.52 -0.62 1.74 -1.26 -4.97 116.66 107.98 3dx2 n ARG 330 Ca -0.06 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 3dx2 n ARG 330 Cb 0.63 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3dx2 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dx2 s THR 331 N -3.32 1.94 -0.37 0.55 -4.23 -1.26 -4.70 115.64 104.25 3dx2 s THR 331 Ca -0.00 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3dx2 s THR 331 Cb 0.12 -2.23 0.58 0.00 1.34 0.00 0.00 72.50 72.31 3dx2 s THR 331 CO 0.81 0.00 1.66 -0.46 -0.54 0.00 0.00 174.62 176.09 3dx2 n ASN 332 N -1.93 4.02 -4.17 3.99 6.94 -1.26 -4.84 115.26 118.01 3dx2 n ASN 332 Ca 0.06 -3.10 -0.33 0.00 -0.02 0.00 0.00 54.58 51.18 3dx2 n ASN 332 Cb 0.63 -0.73 -0.16 0.00 -2.36 0.00 0.00 39.78 37.16 3dx2 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dx2 s VAL 333 N -2.57 2.17 -0.09 3.53 1.01 -1.26 -0.36 120.40 122.83 3dx2 s VAL 333 Ca 0.45 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3dx2 s VAL 333 Cb 0.37 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3dx2 s VAL 333 CO 0.10 0.54 -0.21 -0.22 0.00 0.00 0.00 175.10 175.31 3dx2 s LEU 334 N 0.94 2.28 -0.25 3.92 2.96 0.11 -4.96 118.68 123.68 3dx2 s LEU 334 Ca -0.04 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 3dx2 s LEU 334 Cb -0.15 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3dx2 s LEU 334 CO -0.04 0.21 0.30 -0.22 -1.32 0.00 0.00 176.35 175.27 3dx2 s LEU 335 N 0.06 4.07 -0.48 -0.68 2.96 -1.26 -1.08 118.68 122.27 3dx2 s LEU 335 Ca -0.09 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3dx2 s LEU 335 Cb -0.15 -2.32 0.13 0.00 0.50 0.00 0.00 46.19 44.35 3dx2 s LEU 335 CO 0.06 -0.09 0.23 -0.63 -1.32 0.00 0.00 176.35 174.60 3dx2 s ILE 336 N 1.66 2.31 0.57 6.68 -1.09 0.07 -4.98 121.20 126.43 3dx2 s ILE 336 Ca 0.13 -3.05 -0.21 0.00 -2.23 0.00 0.00 60.65 55.29 3dx2 s ILE 336 Cb -0.15 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 3dx2 s ILE 336 CO 0.09 -0.79 1.34 -2.84 -1.23 0.00 0.00 174.94 171.50 3dx2 s PRO 337 N -0.02 2.98 -0.41 2.79 0.02 -1.26 -0.53 135.00 138.57 3dx2 s PRO 337 Ca 0.16 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3dx2 s PRO 337 Cb -0.25 -2.14 0.14 0.00 0.02 0.00 0.00 34.50 32.27 3dx2 s PRO 337 CO -0.01 -1.30 0.24 -1.17 -0.33 0.00 0.00 177.00 174.42 3dx2 s LEU 338 N -3.76 2.04 0.00 -5.54 2.96 0.22 -4.75 118.68 109.86 3dx2 s LEU 338 Ca 0.75 -2.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.16 3dx2 s LEU 338 Cb -0.40 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.51 3dx2 s LEU 338 CO 0.46 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 3dx2 n GLY 339 N 3.68 -1.30 0.28 7.98 0.00 -1.26 -1.64 105.19 112.93 3dx2 n GLY 339 Ca 0.11 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 3dx2 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dx2 n ASP 340 N 0.41 -0.11 -4.70 1.61 -0.08 -1.25 -3.40 116.55 109.03 3dx2 n ASP 340 Ca 0.00 -1.05 -0.42 0.00 -1.51 0.00 0.00 54.79 51.81 3dx2 n ASP 340 Cb 0.00 0.18 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 3dx2 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3dx2 s ASP 341 N -1.19 6.74 -1.54 1.67 1.11 -1.26 -1.47 116.67 120.73 3dx2 s ASP 341 Ca 0.02 2.34 -0.14 0.00 0.18 0.00 0.00 52.55 54.95 3dx2 s ASP 341 Cb -0.00 -2.57 0.10 0.00 1.07 0.00 0.00 42.92 41.52 3dx2 s ASP 341 CO 0.00 -0.76 0.83 0.49 1.18 0.00 0.00 175.17 176.91 3dx2 n PHE 342 N 4.84 -2.04 -2.04 4.23 3.72 0.53 -4.81 117.46 121.89 3dx2 n PHE 342 Ca 0.13 0.79 -0.28 0.00 -0.05 0.00 0.00 57.45 58.04 3dx2 n PHE 342 Cb 0.42 -3.50 0.11 0.00 -0.94 0.00 0.00 39.48 35.57 3dx2 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3dx2 s ARG 343 N -6.58 1.61 -1.16 -1.08 1.81 -1.16 -4.38 118.95 108.00 3dx2 s ARG 343 Ca 0.64 -0.22 -0.07 0.00 -1.72 0.00 0.00 55.73 54.36 3dx2 s ARG 343 Cb -0.33 -2.00 0.01 0.00 -0.45 0.00 0.00 34.95 32.17 3dx2 s ARG 343 CO 0.78 -1.74 1.01 1.19 -0.68 0.00 0.00 175.30 175.87 3dx2 n PHE 344 N -3.32 -2.43 -0.03 -0.53 3.72 -1.26 -4.74 117.46 108.87 3dx2 n PHE 344 Ca 0.11 0.88 -0.02 0.00 -0.05 0.00 0.00 57.45 58.37 3dx2 n PHE 344 Cb 0.60 -4.56 -0.01 0.00 -0.94 0.00 0.00 39.48 34.57 3dx2 n PHE 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3dx2 h LYS 345 N -2.26 0.00 -6.86 -1.08 3.64 -1.89 -3.39 116.57 104.73 3dx2 h LYS 345 Ca -0.50 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.38 3dx2 h LYS 345 Cb 1.32 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.16 3dx2 h LYS 345 CO 0.48 0.00 0.46 -0.65 -2.27 0.00 0.00 179.45 177.47 3dx2 s GLN 346 N -1.54 4.46 0.27 1.90 1.11 -1.26 -4.41 119.66 120.18 3dx2 s GLN 346 Ca -0.06 1.74 0.01 0.00 0.01 0.00 0.00 55.36 57.05 3dx2 s GLN 346 Cb 0.01 -2.97 0.60 0.00 -1.01 0.00 0.00 33.01 29.63 3dx2 s GLN 346 CO 0.09 0.07 1.75 -0.91 0.01 0.00 0.00 175.29 176.29 3dx2 h ASN 347 N 3.36 0.50 0.26 5.90 -0.26 -1.95 -0.68 115.58 122.71 3dx2 h ASN 347 Ca -0.47 0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.33 3dx2 h ASN 347 Cb 1.21 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 3dx2 h ASN 347 CO 0.65 0.17 -0.19 0.71 -1.06 0.00 0.00 177.43 177.71 3dx2 h THR 348 N 0.58 1.00 -0.19 2.81 1.35 -1.99 -1.71 112.91 114.75 3dx2 h THR 348 Ca 0.49 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 65.58 3dx2 h THR 348 Cb 0.77 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3dx2 h THR 348 CO -0.40 0.19 -0.17 -0.08 -0.25 0.00 0.00 175.52 174.81 3dx2 h GLU 349 N 0.00 0.45 -0.69 4.72 4.81 -1.51 -0.83 114.58 121.52 3dx2 h GLU 349 Ca -0.00 -0.23 0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3dx2 h GLU 349 Cb 0.38 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 3dx2 h GLU 349 CO 0.03 0.79 0.32 -1.49 -0.73 0.00 0.00 179.01 177.93 3dx2 h TRP 350 N 0.11 0.58 -0.26 0.92 4.06 -0.96 -1.52 115.95 118.88 3dx2 h TRP 350 Ca 0.03 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 3dx2 h TRP 350 Cb 0.70 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 3dx2 h TRP 350 CO 0.08 0.19 -0.05 -0.44 -3.56 0.00 0.00 178.44 174.66 3dx2 h ASP 351 N 0.55 0.49 -0.05 -3.49 3.32 -1.23 -0.76 116.42 115.26 3dx2 h ASP 351 Ca 0.34 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3dx2 h ASP 351 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3dx2 h ASP 351 CO -0.28 0.73 -0.31 1.62 -1.72 0.00 0.00 179.24 179.28 3dx2 h VAL 352 N 0.25 1.28 -0.04 -1.35 3.04 -0.81 -0.01 116.25 118.61 3dx2 h VAL 352 Ca 0.07 -1.40 -0.05 0.00 -1.01 0.00 0.00 66.70 64.31 3dx2 h VAL 352 Cb 0.51 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3dx2 h VAL 352 CO 0.02 0.44 -0.17 1.56 -1.01 0.00 0.00 177.57 178.42 3dx2 h GLN 353 N 0.44 0.18 -0.12 4.17 1.08 -1.24 -3.13 115.11 116.49 3dx2 h GLN 353 Ca 0.05 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3dx2 h GLN 353 Cb 0.77 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3dx2 h GLN 353 CO 0.06 0.80 -0.00 -0.09 -0.95 0.00 0.00 178.83 178.65 3dx2 h ARG 354 N -0.40 0.21 -0.50 1.46 2.43 -0.98 -2.02 114.38 114.59 3dx2 h ARG 354 Ca -0.01 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3dx2 h ARG 354 Cb 0.83 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3dx2 h ARG 354 CO 0.03 0.46 0.08 0.28 -1.51 0.00 0.00 179.97 179.31 3dx2 h VAL 355 N -0.06 1.25 -0.46 0.20 2.07 -1.13 0.11 116.25 118.22 3dx2 h VAL 355 Ca 0.03 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3dx2 h VAL 355 Cb 0.36 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3dx2 h VAL 355 CO 0.01 0.33 0.10 0.78 0.02 0.00 0.00 177.57 178.81 3dx2 h ASN 356 N 0.70 0.71 -0.63 0.57 2.35 -1.55 -1.54 115.58 116.18 3dx2 h ASN 356 Ca 0.15 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3dx2 h ASN 356 Cb 0.40 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3dx2 h ASN 356 CO 0.01 0.76 0.17 1.88 -1.65 0.00 0.00 177.43 178.60 3dx2 h TYR 357 N 0.62 1.07 -0.91 1.19 0.05 -1.18 -2.01 116.97 115.79 3dx2 h TYR 357 Ca 0.14 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.83 3dx2 h TYR 357 Cb 0.34 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 3dx2 h TYR 357 CO 0.02 0.87 0.60 0.93 -1.05 0.00 0.00 178.16 179.54 3dx2 h GLU 358 N 0.98 1.17 -0.61 4.88 5.08 -0.54 0.15 114.58 125.70 3dx2 h GLU 358 Ca 0.21 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3dx2 h GLU 358 Cb 0.34 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dx2 h GLU 358 CO -0.00 0.78 0.15 0.00 -1.00 0.00 0.00 179.01 178.93 3dx2 h ARG 359 N 1.21 0.97 -0.24 2.33 3.08 -0.89 -0.73 114.38 120.12 3dx2 h ARG 359 Ca 0.34 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3dx2 h ARG 359 Cb -0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3dx2 h ARG 359 CO -0.08 0.89 0.07 -0.07 -1.07 0.00 0.00 179.97 179.70 3dx2 h LEU 360 N 0.88 0.34 -0.74 3.04 3.38 -0.65 -2.35 115.31 119.22 3dx2 h LEU 360 Ca 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dx2 h LEU 360 Cb 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3dx2 h LEU 360 CO 0.00 0.46 0.44 -0.26 0.09 0.00 0.00 178.44 179.17 3dx2 h PHE 361 N 0.21 0.99 -0.45 1.13 0.04 -0.52 0.78 116.94 119.12 3dx2 h PHE 361 Ca 0.08 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3dx2 h PHE 361 Cb 0.24 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3dx2 h PHE 361 CO 0.00 0.67 0.25 1.49 -0.60 0.00 0.00 178.31 180.12 3dx2 h GLU 362 N 1.01 0.62 0.19 1.51 4.81 -0.98 -0.21 114.58 121.54 3dx2 h GLU 362 Ca 0.26 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3dx2 h GLU 362 Cb -0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3dx2 h GLU 362 CO -0.05 0.49 -0.09 1.25 -0.73 0.00 0.00 179.01 179.88 3dx2 h HIS 363 N 0.59 -0.24 -0.50 0.92 2.76 -1.08 -2.96 115.15 114.64 3dx2 h HIS 363 Ca 0.16 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3dx2 h HIS 363 Cb 0.05 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 3dx2 h HIS 363 CO -0.02 0.12 0.26 0.82 -1.30 0.00 0.00 177.93 177.80 3dx2 h ILE 364 N -0.65 0.96 0.00 6.26 2.04 -0.77 -2.41 117.51 122.94 3dx2 h ILE 364 Ca -0.03 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3dx2 h ILE 364 Cb 0.47 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3dx2 h ILE 364 CO 0.04 0.09 -0.15 0.78 0.00 0.00 0.00 178.15 178.92 3dx2 h ASN 365 N 0.50 0.00 0.23 1.72 2.35 -1.10 -2.64 115.58 116.63 3dx2 h ASN 365 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3dx2 h ASN 365 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3dx2 h ASN 365 CO -0.15 0.15 -0.57 -1.54 -1.65 0.00 0.00 177.43 173.67 3dx2 n SER 366 N -3.35 0.99 -4.30 5.81 3.41 -0.99 -4.75 113.62 110.44 3dx2 n SER 366 Ca -0.00 -0.79 -0.45 0.00 -0.26 0.00 0.00 58.87 57.36 3dx2 n SER 366 Cb 0.36 0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 3dx2 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dx2 s GLN 367 N -2.80 2.92 0.42 4.33 -1.52 -0.94 -4.95 119.66 117.12 3dx2 s GLN 367 Ca 0.14 -1.71 0.14 0.00 -1.95 0.00 0.00 55.36 51.99 3dx2 s GLN 367 Cb 0.18 -4.25 1.01 0.00 -0.22 0.00 0.00 33.01 29.73 3dx2 s GLN 367 CO 0.68 -1.30 1.92 0.00 -0.25 0.00 0.00 175.29 176.33 3dx2 h ALA 368 N 8.83 2.06 0.00 6.09 0.00 -1.85 -1.84 119.26 132.54 3dx2 h ALA 368 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dx2 h ALA 368 Cb 1.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dx2 h ALA 368 CO 1.01 -0.26 -0.00 1.12 0.00 0.00 0.00 179.25 181.12 3dx2 h HIS 369 N 0.46 0.00 0.00 0.00 2.07 -1.93 -0.25 115.15 115.50 3dx2 h HIS 369 Ca 0.37 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.73 3dx2 h HIS 369 Cb 0.80 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.76 3dx2 h HIS 369 CO -0.00 0.00 -0.79 0.74 -3.07 0.00 0.00 177.93 174.81 3dx2 h PHE 370 N 0.00 0.00 -6.32 6.12 0.04 -1.64 -3.48 116.94 111.67 3dx2 h PHE 370 Ca -0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3dx2 h PHE 370 Cb 0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3dx2 h PHE 370 CO 0.00 0.79 -0.82 0.09 -0.60 0.00 0.00 178.31 177.77 3dx2 n ASN 371 N -3.58 -2.29 -4.19 2.17 3.02 -0.11 -4.86 115.26 105.42 3dx2 n ASN 371 Ca -0.01 -0.87 -0.25 0.00 -0.03 0.00 0.00 54.58 53.42 3dx2 n ASN 371 Cb 0.77 -3.63 -0.15 0.00 -0.61 0.00 0.00 39.78 36.16 3dx2 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dx2 s VAL 372 N -3.59 1.46 -0.22 2.41 1.01 -1.26 -0.60 120.40 119.61 3dx2 s VAL 372 Ca 0.28 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3dx2 s VAL 372 Cb -0.14 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.06 3dx2 s VAL 372 CO 0.85 0.38 -0.11 -1.58 0.00 0.00 0.00 175.10 174.64 3dx2 s GLN 373 N -0.53 2.13 -0.02 2.72 2.00 -0.20 -4.35 119.66 121.41 3dx2 s GLN 373 Ca 0.07 -1.04 0.06 0.00 -2.00 0.00 0.00 55.36 52.45 3dx2 s GLN 373 Cb -0.07 -2.63 -0.02 0.00 0.80 0.00 0.00 33.01 31.09 3dx2 s GLN 373 CO -0.00 -0.48 -0.20 0.00 -0.50 0.00 0.00 175.29 174.10 3dx2 s ALA 374 N 1.28 2.44 0.18 1.58 0.00 -1.26 -0.70 121.76 125.28 3dx2 s ALA 374 Ca -0.04 -1.08 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 3dx2 s ALA 374 Cb -0.18 -0.75 0.05 0.00 0.00 0.00 0.00 23.12 22.25 3dx2 s ALA 374 CO -0.07 0.55 0.57 1.14 0.00 0.00 0.00 175.76 177.94 3dx2 s GLN 375 N -0.82 1.33 0.37 0.00 0.00 -0.55 -4.89 119.66 115.10 3dx2 s GLN 375 Ca 0.11 -0.65 -0.27 0.00 -0.00 0.00 0.00 55.36 54.55 3dx2 s GLN 375 Cb -0.10 0.56 -0.10 0.00 0.00 0.00 0.00 33.01 33.37 3dx2 s GLN 375 CO 0.01 -0.57 1.31 -0.06 0.00 0.00 0.00 175.29 175.97 3dx2 s PHE 376 N -3.80 2.92 0.31 9.60 0.08 -1.26 -0.88 117.98 124.95 3dx2 s PHE 376 Ca 0.04 1.41 -0.02 0.00 0.12 0.00 0.00 56.93 58.47 3dx2 s PHE 376 Cb -0.01 -3.68 -0.01 0.00 -0.57 0.00 0.00 43.02 38.75 3dx2 s PHE 376 CO -0.08 -1.99 0.41 0.20 -0.10 0.00 0.00 175.22 173.65 3dx2 s GLY 377 N -0.61 1.46 0.42 4.36 0.00 0.00 -4.78 107.32 108.18 3dx2 s GLY 377 Ca 0.53 -1.52 0.08 0.00 0.00 0.00 0.00 44.72 43.80 3dx2 s GLY 377 CO 0.51 -1.06 0.33 -0.51 0.00 0.00 0.00 173.10 172.38 3dx2 s THR 378 N -3.36 2.58 0.17 0.90 -4.23 -1.26 -4.19 115.64 106.24 3dx2 s THR 378 Ca 0.32 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 3dx2 s THR 378 Cb 0.01 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.92 3dx2 s THR 378 CO 0.19 -0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.31 3dx2 h LEU 379 N 1.12 0.68 -1.06 4.79 5.85 -1.96 -2.32 115.31 122.42 3dx2 h LEU 379 Ca -0.42 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3dx2 h LEU 379 Cb 1.26 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3dx2 h LEU 379 CO 0.60 0.56 0.17 -0.61 -0.34 0.00 0.00 178.44 178.83 3dx2 h GLN 380 N 0.75 0.85 -0.67 1.25 5.75 -1.96 -1.56 115.11 119.51 3dx2 h GLN 380 Ca 0.20 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3dx2 h GLN 380 Cb 0.02 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3dx2 h GLN 380 CO -0.03 0.73 0.43 0.93 -2.65 0.00 0.00 178.83 178.24 3dx2 h GLU 381 N 0.82 0.85 0.29 1.69 5.08 -1.89 0.16 114.58 121.57 3dx2 h GLU 381 Ca 0.19 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3dx2 h GLU 381 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3dx2 h GLU 381 CO -0.01 0.56 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.41 3dx2 h TYR 382 N 0.87 -0.60 -0.66 4.33 3.20 -0.87 -1.93 116.97 121.32 3dx2 h TYR 382 Ca 0.25 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 3dx2 h TYR 382 Cb -0.06 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3dx2 h TYR 382 CO -0.03 -0.34 0.18 0.74 -1.64 0.00 0.00 178.16 177.06 3dx2 h PHE 383 N -0.52 1.06 -0.76 -3.82 0.04 -0.97 -0.61 116.94 111.37 3dx2 h PHE 383 Ca -0.02 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.67 3dx2 h PHE 383 Cb 0.46 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3dx2 h PHE 383 CO -0.13 0.86 0.48 -0.44 -0.60 0.00 0.00 178.31 178.48 3dx2 h ASP 384 N 0.98 0.81 -0.36 2.17 3.32 -0.58 -1.13 116.42 121.62 3dx2 h ASP 384 Ca 0.21 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 3dx2 h ASP 384 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3dx2 h ASP 384 CO -0.00 0.57 -0.26 0.00 -1.72 0.00 0.00 179.24 177.83 3dx2 h ALA 385 N 1.31 0.76 -0.33 3.45 0.00 -0.73 -1.09 119.26 122.63 3dx2 h ALA 385 Ca 0.30 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dx2 h ALA 385 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dx2 h ALA 385 CO -0.10 0.66 0.17 0.28 0.00 0.00 0.00 179.25 180.26 3dx2 h VAL 386 N 0.75 1.00 -0.04 0.00 2.07 -0.61 -1.58 116.25 117.85 3dx2 h VAL 386 Ca 0.09 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 3dx2 h VAL 386 Cb 0.81 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3dx2 h VAL 386 CO 0.07 0.07 -0.48 0.45 0.02 0.00 0.00 177.57 177.69 3dx2 h HIS 387 N 0.36 0.12 -0.64 1.57 -0.00 -1.08 -0.14 115.15 115.33 3dx2 h HIS 387 Ca 0.13 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3dx2 h HIS 387 Cb 0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3dx2 h HIS 387 CO -0.09 0.56 0.42 1.96 -0.00 0.00 0.00 177.93 180.78 3dx2 h GLN 388 N 0.08 0.83 -0.64 2.45 4.20 -0.96 0.76 115.11 121.83 3dx2 h GLN 388 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3dx2 h GLN 388 Cb 0.88 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3dx2 h GLN 388 CO 0.07 0.55 0.31 0.00 -0.67 0.00 0.00 178.83 179.09 3dx2 h ALA 389 N 1.24 0.82 -0.36 3.87 0.00 -0.68 -1.33 119.26 122.84 3dx2 h ALA 389 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3dx2 h ALA 389 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3dx2 h ALA 389 CO -0.06 0.38 0.21 1.49 0.00 0.00 0.00 179.25 181.28 3dx2 h GLU 390 N 0.88 0.42 0.00 0.00 4.81 -0.73 -1.40 114.58 118.56 3dx2 h GLU 390 Ca 0.22 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3dx2 h GLU 390 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3dx2 h GLU 390 CO -0.03 0.28 -0.28 0.00 -0.73 0.00 0.00 179.01 178.26 3dx2 h ARG 391 N 0.44 0.00 0.00 1.92 3.08 -0.62 -0.77 114.38 118.42 3dx2 h ARG 391 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dx2 h ARG 391 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dx2 h ARG 391 CO -0.06 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3dx2 n ALA 392 N -2.46 2.53 -0.92 0.04 0.00 -0.52 -4.86 120.51 114.31 3dx2 n ALA 392 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3dx2 n ALA 392 Cb 0.33 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3dx2 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dx2 n GLY 393 N 0.71 0.48 0.11 0.00 0.00 -0.30 -4.94 105.19 101.27 3dx2 n GLY 393 Ca 0.19 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3dx2 n GLY 393 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dx2 h GLN 394 N 0.63 0.00 -2.28 1.61 3.07 -1.41 -3.46 115.11 113.27 3dx2 h GLN 394 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 3dx2 h GLN 394 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 27.37 3dx2 h GLN 394 CO 0.00 0.00 0.09 0.00 0.09 0.00 0.00 178.83 179.01 3dx2 s ALA 395 N -3.13 -1.54 0.04 0.06 0.00 -1.26 -4.86 121.76 111.06 3dx2 s ALA 395 Ca 0.09 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3dx2 s ALA 395 Cb 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3dx2 s ALA 395 CO 0.63 -0.37 -0.20 -1.83 0.00 0.00 0.00 175.76 173.99 3dx2 s GLU 396 N -1.38 1.37 0.02 0.00 -1.05 -1.26 -4.62 118.70 111.78 3dx2 s GLU 396 Ca -0.11 -0.91 0.02 0.00 -0.15 0.00 0.00 54.97 53.82 3dx2 s GLU 396 Cb -0.01 -1.47 -0.04 0.00 -0.44 0.00 0.00 34.13 32.17 3dx2 s GLU 396 CO 0.07 0.38 0.02 -0.06 0.95 0.00 0.00 175.26 176.62 3dx2 s PHE 397 N -0.78 3.10 0.64 4.83 0.08 -1.26 -5.07 117.98 119.52 3dx2 s PHE 397 Ca 0.07 0.08 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 3dx2 s PHE 397 Cb -0.09 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3dx2 s PHE 397 CO 0.02 0.48 1.08 -1.25 -0.10 0.00 0.00 175.22 175.45 3dx2 s PRO 398 N -1.74 2.99 0.07 0.24 0.04 -1.26 -4.78 135.00 130.57 3dx2 s PRO 398 Ca 0.21 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 3dx2 s PRO 398 Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3dx2 s PRO 398 CO 0.13 -1.08 0.31 0.95 0.04 0.00 0.00 177.00 177.34 3dx2 s THR 399 N -2.46 5.25 -0.05 1.26 -4.23 -1.26 -0.54 115.64 113.61 3dx2 s THR 399 Ca 0.65 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 3dx2 s THR 399 Cb -0.18 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.07 3dx2 s THR 399 CO 0.41 0.22 0.14 -0.22 -0.54 0.00 0.00 174.62 174.63 3dx2 s LEU 400 N -2.17 1.47 0.18 4.79 0.20 -0.51 -1.26 118.68 121.37 3dx2 s LEU 400 Ca 0.34 0.27 0.03 0.00 0.69 0.00 0.00 54.13 55.46 3dx2 s LEU 400 Cb -0.13 0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 46.07 3dx2 s LEU 400 CO 0.21 -0.05 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.23 3dx2 s SER 401 N 0.05 1.60 0.00 3.68 1.04 -0.31 -1.05 113.70 118.70 3dx2 s SER 401 Ca -0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3dx2 s SER 401 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 3dx2 s SER 401 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3dx2 n GLY 402 N -0.26 0.42 3.55 7.32 0.00 -1.26 -1.04 105.19 113.91 3dx2 n GLY 402 Ca -0.08 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 3dx2 n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dx2 s ASP 403 N -4.00 2.99 -0.41 1.61 -4.77 -1.26 -4.35 116.67 106.48 3dx2 s ASP 403 Ca 0.00 -1.71 0.09 0.00 -3.30 0.00 0.00 52.55 47.63 3dx2 s ASP 403 Cb 0.00 0.57 0.42 0.00 -1.09 0.00 0.00 42.92 42.82 3dx2 s ASP 403 CO 0.00 -0.96 1.03 0.49 0.70 0.00 0.00 175.17 176.43 3dx2 n PHE 404 N -0.98 2.65 -4.37 2.11 3.72 -0.12 -4.91 117.46 115.57 3dx2 n PHE 404 Ca -0.08 -3.13 -0.27 0.00 -0.05 0.00 0.00 57.45 53.92 3dx2 n PHE 404 Cb 0.65 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.84 3dx2 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3dx2 s PHE 405 N -3.36 2.15 -0.14 1.38 0.08 -1.26 -2.67 117.98 114.16 3dx2 s PHE 405 Ca 0.41 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 3dx2 s PHE 405 Cb 0.41 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 3dx2 s PHE 405 CO -0.11 0.29 0.26 0.99 -0.10 0.00 0.00 175.22 176.55 3dx2 s THR 406 N -1.08 5.32 0.35 0.64 2.01 -1.26 -5.09 115.64 116.52 3dx2 s THR 406 Ca 0.12 0.48 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 3dx2 s THR 406 Cb -0.10 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 3dx2 s THR 406 CO 0.05 0.46 1.32 -0.47 -0.69 0.00 0.00 174.62 175.29 3dx2 s TYR 407 N -0.03 2.97 -0.04 4.92 5.04 -1.26 -4.79 117.35 124.17 3dx2 s TYR 407 Ca 0.16 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 3dx2 s TYR 407 Cb -0.13 -3.70 0.01 0.00 0.35 0.00 0.00 41.96 38.49 3dx2 s TYR 407 CO 0.04 -1.97 -0.08 0.00 -1.34 0.00 0.00 175.55 172.21 3dx2 s ALA 408 N -1.16 0.86 -0.19 3.97 0.00 -1.26 -0.64 121.76 123.34 3dx2 s ALA 408 Ca 0.51 -0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.42 3dx2 s ALA 408 Cb -0.40 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3dx2 s ALA 408 CO 0.53 0.08 1.01 0.38 0.00 0.00 0.00 175.76 177.76 3dx2 h ASP 409 N 6.79 0.00 -4.56 0.00 2.03 -1.90 -2.89 116.42 115.90 3dx2 h ASP 409 Ca -0.35 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.01 3dx2 h ASP 409 Cb 1.17 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.48 3dx2 h ASP 409 CO 0.48 0.32 0.42 0.00 -1.03 0.00 0.00 179.24 179.44 3dx2 s ARG 410 N -3.11 0.83 3.55 4.15 1.70 -1.26 -4.77 118.95 120.04 3dx2 s ARG 410 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.21 3dx2 s ARG 410 Cb 0.09 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3dx2 s ARG 410 CO 0.79 -0.31 0.00 0.45 -1.08 0.00 0.00 175.30 175.15 3dx2 n SER 411 N 0.33 0.00 -1.69 -2.89 2.88 -1.26 -0.84 113.62 110.15 3dx2 n SER 411 Ca -0.12 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.46 3dx2 n SER 411 Cb 0.60 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.41 3dx2 n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dx2 n ASP 412 N 2.45 5.07 -4.52 -3.46 5.75 -1.26 -4.86 116.55 115.72 3dx2 n ASP 412 Ca 0.00 -3.05 -0.43 0.00 -0.01 0.00 0.00 54.79 51.30 3dx2 n ASP 412 Cb 0.00 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.41 3dx2 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3dx2 s ASN 413 N -1.14 6.85 0.03 -1.12 0.02 -0.02 -4.97 114.94 114.59 3dx2 s ASN 413 Ca 0.52 -2.47 -0.22 0.00 -1.02 0.00 0.00 52.86 49.67 3dx2 s ASN 413 Cb 0.41 -2.49 -0.06 0.00 0.02 0.00 0.00 41.25 39.13 3dx2 s ASN 413 CO 0.13 -1.04 0.67 -0.31 0.02 0.00 0.00 177.10 176.57 3dx2 s TYR 414 N 3.14 3.72 -0.94 2.20 1.51 -1.26 -3.41 117.35 122.30 3dx2 s TYR 414 Ca 0.46 1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 57.81 3dx2 s TYR 414 Cb -0.00 -2.69 0.14 0.00 -0.11 0.00 0.00 41.96 39.30 3dx2 s TYR 414 CO 0.00 0.35 2.42 0.91 -1.11 0.00 0.00 175.55 178.12 3dx2 n TRP 415 N 2.64 2.30 1.12 2.71 7.02 0.19 -2.81 117.44 130.61 3dx2 n TRP 415 Ca -0.05 -2.44 0.12 0.00 -1.02 0.00 0.00 57.50 54.11 3dx2 n TRP 415 Cb 0.51 -1.54 0.19 0.00 -2.42 0.00 0.00 31.31 28.04 3dx2 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3dx2 n SER 416 N 1.00 1.49 -0.24 -0.99 3.41 -1.23 -4.30 113.62 112.76 3dx2 n SER 416 Ca 0.55 -1.18 -0.07 0.00 -0.26 0.00 0.00 58.87 57.91 3dx2 n SER 416 Cb 0.35 0.32 0.04 0.00 -0.26 0.00 0.00 64.21 64.66 3dx2 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3dx2 h GLY 417 N 4.89 1.11 1.50 5.00 0.00 -1.27 -2.79 103.07 111.52 3dx2 h GLY 417 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3dx2 h GLY 417 CO 0.00 0.62 0.00 1.58 0.00 0.00 0.00 176.54 178.74 3dx2 n TYR 418 N -4.33 0.00 0.30 5.60 4.11 -1.06 -1.35 117.16 120.43 3dx2 n TYR 418 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.12 3dx2 n TYR 418 Cb 0.22 -0.25 0.79 0.00 -0.00 0.00 0.00 39.34 40.10 3dx2 n TYR 418 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3dx2 h TYR 419 N 0.00 0.00 0.00 -3.48 0.05 -1.76 -3.33 116.97 108.45 3dx2 h TYR 419 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dx2 h TYR 419 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3dx2 h TYR 419 CO 0.00 0.00 -0.77 2.41 -1.05 0.00 0.00 178.16 178.75 3dx2 n THR 420 N -2.84 0.00 -1.58 -2.88 -1.04 -0.46 -2.30 114.28 103.18 3dx2 n THR 420 Ca -0.00 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.54 3dx2 n THR 420 Cb 0.20 -0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 3dx2 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3dx2 n SER 421 N -1.39 1.34 -3.53 8.00 7.64 -0.89 -2.62 113.62 122.17 3dx2 n SER 421 Ca 0.00 1.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 3dx2 n SER 421 Cb 0.18 -1.25 0.05 0.00 -1.01 0.00 0.00 64.21 62.18 3dx2 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dx2 n ARG 422 N 1.35 -1.52 0.26 1.43 3.00 -1.26 -4.01 116.66 115.90 3dx2 n ARG 422 Ca 0.13 0.64 0.13 0.00 -0.01 0.00 0.00 57.85 58.74 3dx2 n ARG 422 Cb 0.28 -4.65 0.66 0.00 0.00 0.00 0.00 32.46 28.75 3dx2 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3dx2 h PRO 423 N -1.50 0.00 -0.72 5.56 0.13 -1.82 -2.46 132.00 131.19 3dx2 h PRO 423 Ca -0.62 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3dx2 h PRO 423 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 3dx2 h PRO 423 CO 0.46 0.12 0.42 -0.92 -0.23 0.00 0.00 178.00 177.85 3dx2 h TYR 424 N 0.00 0.76 0.00 1.56 3.20 -1.90 -1.10 116.97 119.50 3dx2 h TYR 424 Ca -0.00 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 3dx2 h TYR 424 Cb 0.49 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3dx2 h TYR 424 CO 0.00 0.37 -0.87 0.45 -1.64 0.00 0.00 178.16 176.47 3dx2 h HIS 425 N 0.76 0.00 -0.70 -3.82 3.86 -1.82 -1.03 115.15 112.40 3dx2 h HIS 425 Ca 0.32 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.55 3dx2 h HIS 425 Cb 0.19 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3dx2 h HIS 425 CO -0.07 0.87 0.46 0.87 0.86 0.00 0.00 177.93 180.92 3dx2 h LYS 426 N 0.00 0.89 -0.41 2.45 1.57 -1.22 0.25 116.57 120.11 3dx2 h LYS 426 Ca -0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3dx2 h LYS 426 Cb 1.60 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 3dx2 h LYS 426 CO 0.11 0.59 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.37 3dx2 h ARG 427 N 0.92 0.80 -0.62 3.15 9.65 -0.99 -3.04 114.38 124.25 3dx2 h ARG 427 Ca 0.27 -0.32 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3dx2 h ARG 427 Cb -0.06 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 3dx2 h ARG 427 CO -0.08 0.94 0.41 1.98 2.80 0.00 0.00 179.97 186.02 3dx2 h MET 428 N 0.61 0.80 -0.66 0.20 4.05 -0.90 -1.11 114.93 117.93 3dx2 h MET 428 Ca 0.10 -0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.59 3dx2 h MET 428 Cb 0.66 -0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 31.19 3dx2 h MET 428 CO 0.04 0.53 0.23 0.22 0.23 0.00 0.00 176.91 178.16 3dx2 h ASP 429 N 0.82 0.19 0.22 1.39 3.58 -0.83 0.23 116.42 122.02 3dx2 h ASP 429 Ca 0.23 0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.64 3dx2 h ASP 429 Cb -0.08 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3dx2 h ASP 429 CO -0.05 0.09 -0.54 0.03 -2.88 0.00 0.00 179.24 175.89 3dx2 h ARG 430 N 0.38 0.34 -0.10 0.28 2.47 -1.21 0.92 114.38 117.46 3dx2 h ARG 430 Ca 0.35 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3dx2 h ARG 430 Cb 0.49 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3dx2 h ARG 430 CO -0.37 0.79 0.00 0.28 0.56 0.00 0.00 179.97 181.24 3dx2 h VAL 431 N 0.26 1.24 -0.36 2.04 2.07 -0.80 -2.69 116.25 118.02 3dx2 h VAL 431 Ca 0.01 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3dx2 h VAL 431 Cb 1.03 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3dx2 h VAL 431 CO 0.09 0.22 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 3dx2 h LEU 432 N -0.08 0.60 -0.50 2.57 5.85 -0.88 -1.46 115.31 121.42 3dx2 h LEU 432 Ca 0.03 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3dx2 h LEU 432 Cb 0.34 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3dx2 h LEU 432 CO 0.00 0.75 -0.11 -0.03 -0.34 0.00 0.00 178.44 178.71 3dx2 h MET 433 N 0.57 0.01 -0.38 1.25 4.05 -0.70 0.75 114.93 120.49 3dx2 h MET 433 Ca 0.10 -0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.39 3dx2 h MET 433 Cb 0.52 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3dx2 h MET 433 CO 0.03 0.01 -0.30 1.25 0.23 0.00 0.00 176.91 178.13 3dx2 h HIS 434 N 0.01 1.03 0.00 1.39 -0.00 -1.10 -2.53 115.15 113.95 3dx2 h HIS 434 Ca 0.24 -0.29 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 3dx2 h HIS 434 Cb 0.37 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3dx2 h HIS 434 CO -0.41 1.09 -0.48 1.88 -0.00 0.00 0.00 177.93 180.00 3dx2 h TYR 435 N 0.68 0.00 -0.24 5.26 0.05 -0.84 0.43 116.97 122.30 3dx2 h TYR 435 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3dx2 h TYR 435 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 3dx2 h TYR 435 CO 0.06 0.48 0.07 0.28 -1.05 0.00 0.00 178.16 178.00 3dx2 h VAL 436 N 0.00 1.20 -0.22 -2.88 2.07 -0.83 0.05 116.25 115.65 3dx2 h VAL 436 Ca -0.00 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3dx2 h VAL 436 Cb 0.90 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3dx2 h VAL 436 CO 0.06 0.21 0.05 -0.09 0.02 0.00 0.00 177.57 177.82 3dx2 h ARG 437 N 0.22 0.14 -0.54 1.57 2.43 -1.02 -0.70 114.38 116.48 3dx2 h ARG 437 Ca 0.08 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3dx2 h ARG 437 Cb 0.26 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3dx2 h ARG 437 CO -0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 179.97 178.53 3dx2 h ALA 438 N 1.15 0.94 -0.37 2.80 0.00 -0.80 -0.59 119.26 122.40 3dx2 h ALA 438 Ca 0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3dx2 h ALA 438 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dx2 h ALA 438 CO -0.12 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 3dx2 h ALA 439 N 1.11 0.51 -0.69 0.00 0.00 -0.77 0.13 119.26 119.54 3dx2 h ALA 439 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3dx2 h ALA 439 Cb 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3dx2 h ALA 439 CO 0.03 0.37 0.18 0.93 0.00 0.00 0.00 179.25 180.75 3dx2 h GLU 440 N 0.51 1.09 0.04 0.00 5.08 -1.01 -2.37 114.58 117.92 3dx2 h GLU 440 Ca 0.09 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3dx2 h GLU 440 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3dx2 h GLU 440 CO 0.04 0.97 -0.02 1.98 -1.00 0.00 0.00 179.01 180.98 3dx2 h MET 441 N 1.02 -0.05 -0.73 2.33 4.05 -0.95 -1.80 114.93 118.82 3dx2 h MET 441 Ca 0.22 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3dx2 h MET 441 Cb 0.36 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 3dx2 h MET 441 CO 0.00 0.39 0.45 -0.07 0.23 0.00 0.00 176.91 177.91 3dx2 h LEU 442 N -0.49 0.85 0.00 3.39 3.38 -0.77 -2.07 115.31 119.60 3dx2 h LEU 442 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dx2 h LEU 442 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dx2 h LEU 442 CO 0.01 0.64 -0.38 0.77 0.09 0.00 0.00 178.44 179.58 3dx2 h SER 443 N 0.99 0.00 0.35 -0.43 4.64 -1.45 -3.31 113.55 114.35 3dx2 h SER 443 Ca 0.26 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3dx2 h SER 443 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3dx2 h SER 443 CO -0.05 0.06 -0.13 0.00 -0.87 0.00 0.00 176.83 175.84 3dx2 h ALA 444 N 2.50 1.32 0.00 5.18 0.00 -0.57 -3.16 119.26 124.54 3dx2 h ALA 444 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dx2 h ALA 444 Cb 0.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dx2 h ALA 444 CO 0.00 0.17 -0.11 -1.49 0.00 0.00 0.00 179.25 177.82 3dx2 h TRP 445 N 0.00 0.00 -2.76 0.00 4.06 -1.65 -3.44 115.95 112.17 3dx2 h TRP 445 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 3dx2 h TRP 445 Cb 0.35 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.35 3dx2 h TRP 445 CO 0.00 0.11 -0.76 -1.01 -3.56 0.00 0.00 178.44 173.21 3dx2 s HIS 446 N -4.37 2.00 0.19 0.49 3.76 -1.19 -5.07 115.29 111.09 3dx2 s HIS 446 Ca -0.03 -0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 3dx2 s HIS 446 Cb 0.14 -0.92 -0.08 0.00 1.11 0.00 0.00 32.58 32.83 3dx2 s HIS 446 CO 0.60 0.50 0.81 -1.12 -0.85 0.00 0.00 174.74 174.68 3dx2 s SER 447 N -3.19 7.43 -0.04 1.40 0.01 -1.26 -4.99 113.70 113.06 3dx2 s SER 447 Ca 0.24 1.71 0.05 0.00 1.31 0.00 0.00 55.95 59.26 3dx2 s SER 447 Cb -0.04 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 3dx2 s SER 447 CO 0.10 0.19 -0.19 0.26 0.41 0.00 0.00 173.24 174.01 3dx2 s TRP 448 N -1.18 2.56 0.46 2.43 0.52 -1.26 -5.04 118.94 117.43 3dx2 s TRP 448 Ca 0.37 -0.29 -0.24 0.00 0.02 0.00 0.00 56.10 55.97 3dx2 s TRP 448 Cb -0.23 -1.59 -0.09 0.00 -1.15 0.00 0.00 33.47 30.41 3dx2 s TRP 448 CO 0.27 0.08 1.10 -3.47 0.02 0.00 0.00 176.95 174.96 3dx2 n ASP 449 N 2.41 1.67 -0.11 2.95 2.03 -1.26 -4.33 116.55 119.90 3dx2 n ASP 449 Ca -0.17 1.02 0.23 0.00 0.52 0.00 0.00 54.79 56.39 3dx2 n ASP 449 Cb 0.52 -1.42 0.67 0.00 -0.72 0.00 0.00 41.12 40.17 3dx2 n ASP 449 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3dx2 h GLY 450 N 1.53 0.14 2.00 0.27 0.00 -2.01 -0.71 103.07 104.29 3dx2 h GLY 450 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3dx2 h GLY 450 CO 0.57 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.78 3dx2 h MET 451 N 0.07 0.00 0.00 4.80 2.86 -2.04 -1.96 114.93 118.65 3dx2 h MET 451 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3dx2 h MET 451 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3dx2 h MET 451 CO -0.03 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.94 3dx2 h ALA 452 N 2.06 1.00 -2.88 6.32 0.00 -1.47 -3.47 119.26 120.82 3dx2 h ALA 452 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3dx2 h ALA 452 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dx2 h ALA 452 CO 0.00 0.00 -0.52 0.54 0.00 0.00 0.00 179.25 179.27 3dx2 n ARG 453 N -2.60 -1.68 0.02 0.00 1.74 -0.74 -4.90 116.66 108.50 3dx2 n ARG 453 Ca 0.04 1.02 -0.13 0.00 -0.77 0.00 0.00 57.85 58.01 3dx2 n ARG 453 Cb 0.41 -5.66 -0.09 0.00 -1.02 0.00 0.00 32.46 26.10 3dx2 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dx2 h ILE 454 N 0.00 1.18 -0.85 0.55 1.08 -1.84 -2.02 117.51 115.60 3dx2 h ILE 454 Ca -0.49 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 3dx2 h ILE 454 Cb 1.36 1.60 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 3dx2 h ILE 454 CO 0.58 0.16 0.56 -0.33 -0.69 0.00 0.00 178.15 178.43 3dx2 h GLU 455 N -0.30 1.08 -0.07 2.37 3.07 -1.94 -0.43 114.58 118.37 3dx2 h GLU 455 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3dx2 h GLU 455 Cb 0.28 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3dx2 h GLU 455 CO 0.00 0.71 0.04 1.49 -1.40 0.00 0.00 179.01 179.86 3dx2 h GLU 456 N 1.11 0.09 -0.54 2.33 4.81 -1.94 -0.07 114.58 120.37 3dx2 h GLU 456 Ca 0.33 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 3dx2 h GLU 456 Cb -0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3dx2 h GLU 456 CO -0.09 0.10 -0.10 0.00 -0.73 0.00 0.00 179.01 178.19 3dx2 h ARG 457 N 0.06 1.01 -0.45 1.92 -0.00 -1.00 -1.75 114.38 114.16 3dx2 h ARG 457 Ca 0.02 -0.37 -0.12 0.00 -0.50 0.00 0.00 59.98 59.01 3dx2 h ARG 457 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 3dx2 h ARG 457 CO -0.00 1.05 -0.21 -0.07 0.00 0.00 0.00 179.97 180.74 3dx2 h LEU 458 N 0.90 0.92 -0.51 3.04 3.38 -0.99 -1.43 115.31 120.62 3dx2 h LEU 458 Ca 0.14 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3dx2 h LEU 458 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3dx2 h LEU 458 CO 0.05 1.10 0.30 -0.08 0.09 0.00 0.00 178.44 179.89 3dx2 h GLU 459 N 0.79 0.71 -0.27 1.13 4.81 -0.82 0.40 114.58 121.32 3dx2 h GLU 459 Ca 0.11 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3dx2 h GLU 459 Cb 0.76 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3dx2 h GLU 459 CO 0.06 0.53 0.16 0.37 -0.73 0.00 0.00 179.01 179.40 3dx2 h GLN 460 N 0.69 0.32 -0.45 1.92 4.15 -1.15 -0.51 115.11 120.08 3dx2 h GLN 460 Ca 0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 3dx2 h GLN 460 Cb 0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3dx2 h GLN 460 CO -0.03 0.21 0.21 0.00 -1.93 0.00 0.00 178.83 177.29 3dx2 h ALA 461 N 1.12 0.58 -0.70 3.38 0.00 -0.95 -0.64 119.26 122.04 3dx2 h ALA 461 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3dx2 h ALA 461 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3dx2 h ALA 461 CO -0.05 0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.63 3dx2 h ARG 462 N 0.58 1.04 -0.17 0.00 3.08 -0.78 -2.21 114.38 115.92 3dx2 h ARG 462 Ca 0.15 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3dx2 h ARG 462 Cb 0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3dx2 h ARG 462 CO -0.02 0.84 -0.59 0.00 -1.07 0.00 0.00 179.97 179.13 3dx2 h ARG 463 N 1.02 0.55 -0.17 0.04 3.08 -0.62 0.78 114.38 119.06 3dx2 h ARG 463 Ca 0.24 -0.37 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 3dx2 h ARG 463 Cb 0.20 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dx2 h ARG 463 CO -0.02 0.98 -0.68 0.93 -1.07 0.00 0.00 179.97 180.12 3dx2 h GLU 464 N 0.41 0.66 -0.53 0.04 4.39 -1.00 0.44 114.58 119.00 3dx2 h GLU 464 Ca -0.00 -0.49 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 3dx2 h GLU 464 Cb 1.15 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3dx2 h GLU 464 CO 0.11 1.11 -0.13 1.25 -1.16 0.00 0.00 179.01 180.19 3dx2 h LEU 465 N 0.48 1.02 -0.58 1.33 5.85 -1.35 -2.41 115.31 119.66 3dx2 h LEU 465 Ca -0.02 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3dx2 h LEU 465 Cb 1.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3dx2 h LEU 465 CO 0.13 1.15 0.27 0.28 -0.34 0.00 0.00 178.44 179.93 3dx2 h SER 466 N 0.90 0.76 -0.91 1.25 0.02 -0.69 -2.39 113.55 112.48 3dx2 h SER 466 Ca 0.13 -0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3dx2 h SER 466 Cb 0.70 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 3dx2 h SER 466 CO 0.05 0.68 0.58 0.25 -1.14 0.00 0.00 176.83 177.25 3dx2 h LEU 467 N 0.79 0.92 -1.45 5.07 5.85 -0.76 -1.86 115.31 123.87 3dx2 h LEU 467 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3dx2 h LEU 467 Cb 0.12 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3dx2 h LEU 467 CO -0.02 0.59 0.00 0.15 -0.34 0.00 0.00 178.44 178.82 3dx2 h PHE 468 N 1.06 0.00 0.00 1.25 3.57 -0.92 -1.54 116.94 120.36 3dx2 h PHE 468 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3dx2 h PHE 468 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3dx2 h PHE 468 CO -0.02 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.10 3dx2 n GLN 469 N -2.62 0.08 -1.40 1.11 1.13 -0.70 -0.77 117.38 114.22 3dx2 n GLN 469 Ca 0.00 0.28 -0.38 0.00 -1.94 0.00 0.00 57.00 54.96 3dx2 n GLN 469 Cb 0.18 -1.65 0.03 0.00 0.11 0.00 0.00 30.24 28.92 3dx2 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3dx2 n HIS 470 N -1.80 -1.24 1.42 1.08 -0.00 -0.58 -0.85 115.22 113.24 3dx2 n HIS 470 Ca 0.03 0.43 0.05 0.00 -0.00 0.00 0.00 57.72 58.23 3dx2 n HIS 470 Cb 0.22 -1.89 0.28 0.00 -0.00 0.00 0.00 29.99 28.61 3dx2 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3dx2 n HIS 471 N -1.71 0.00 -0.03 1.57 1.44 -1.18 -0.61 115.22 114.70 3dx2 n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3dx2 n HIS 471 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 3dx2 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3dx2 n ASP 472 N -0.71 1.91 0.00 4.39 8.00 -1.26 -4.66 116.55 124.22 3dx2 n ASP 472 Ca 0.07 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3dx2 n ASP 472 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3dx2 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx2 n GLY 473 N -0.47 0.33 0.35 0.44 0.00 0.22 -3.32 105.19 102.74 3dx2 n GLY 473 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3dx2 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dx2 h ILE 474 N 0.00 0.47 0.00 -0.61 2.10 -0.95 -0.47 117.51 118.05 3dx2 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3dx2 h ILE 474 Cb 0.00 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.52 3dx2 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3dx2 h THR 475 N 0.00 0.00 -1.47 2.19 1.35 -1.82 -3.43 112.91 109.74 3dx2 h THR 475 Ca 0.12 -0.28 -0.21 0.00 -0.55 0.00 0.00 66.41 65.49 3dx2 h THR 475 Cb 0.64 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3dx2 h THR 475 CO -0.00 0.00 -0.26 0.61 -0.25 0.00 0.00 175.52 175.61 3dx2 n GLY 476 N -0.29 -0.05 0.93 5.82 0.00 -0.18 -4.41 105.19 107.01 3dx2 n GLY 476 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.64 3dx2 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dx2 n THR 477 N -4.00 2.32 -3.36 2.61 -2.24 -1.25 -4.57 114.28 103.80 3dx2 n THR 477 Ca -0.12 -1.96 -0.19 0.00 -2.27 0.00 0.00 64.05 59.51 3dx2 n THR 477 Cb 0.59 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3dx2 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx2 s ALA 478 N -2.88 4.25 0.74 6.98 0.00 -1.21 -4.93 121.76 124.72 3dx2 s ALA 478 Ca 0.43 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 3dx2 s ALA 478 Cb 0.35 -1.70 0.05 0.00 0.00 0.00 0.00 23.12 21.81 3dx2 s ALA 478 CO 0.08 -0.10 1.14 0.15 0.00 0.00 0.00 175.76 177.03 3dx2 s LYS 479 N -4.23 2.21 0.23 0.00 1.02 -0.12 -4.72 119.74 114.13 3dx2 s LYS 479 Ca 0.47 1.48 -0.08 0.00 0.02 0.00 0.00 55.97 57.86 3dx2 s LYS 479 Cb -0.10 -1.87 0.38 0.00 -0.52 0.00 0.00 37.83 35.73 3dx2 s LYS 479 CO 0.32 -1.73 1.67 1.15 -0.92 0.00 0.00 175.35 175.84 3dx2 h THR 480 N -0.61 0.48 0.00 2.17 2.02 -1.94 0.70 112.91 115.72 3dx2 h THR 480 Ca -0.46 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3dx2 h THR 480 Cb 1.26 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3dx2 h THR 480 CO 0.50 0.03 -0.12 1.12 0.37 0.00 0.00 175.52 177.43 3dx2 h HIS 481 N 0.17 0.00 0.16 3.16 2.07 -1.96 -1.96 115.15 116.80 3dx2 h HIS 481 Ca 0.37 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.60 3dx2 h HIS 481 Cb 0.63 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.63 3dx2 h HIS 481 CO -0.33 0.12 -1.31 0.28 -3.07 0.00 0.00 177.93 173.62 3dx2 h VAL 482 N 0.00 1.40 -0.88 6.12 2.07 -1.23 -2.34 116.25 121.38 3dx2 h VAL 482 Ca -0.00 -2.84 0.05 0.00 0.82 0.00 0.00 66.70 64.73 3dx2 h VAL 482 Cb 0.65 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.29 3dx2 h VAL 482 CO 0.02 0.84 0.56 0.58 0.02 0.00 0.00 177.57 179.59 3dx2 h VAL 483 N 0.13 1.10 -0.76 2.57 2.07 -0.78 -0.60 116.25 119.99 3dx2 h VAL 483 Ca -0.18 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dx2 h VAL 483 Cb 2.01 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3dx2 h VAL 483 CO 0.23 0.19 0.34 0.58 0.02 0.00 0.00 177.57 178.94 3dx2 h VAL 484 N 1.07 1.25 -0.53 2.57 2.07 -1.29 -0.38 116.25 121.01 3dx2 h VAL 484 Ca 0.37 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3dx2 h VAL 484 Cb 0.08 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3dx2 h VAL 484 CO -0.14 0.30 0.31 -0.78 0.02 0.00 0.00 177.57 177.28 3dx2 h ASP 485 N 1.08 0.65 -0.65 0.57 3.58 -0.79 0.53 116.42 121.39 3dx2 h ASP 485 Ca 0.26 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3dx2 h ASP 485 Cb 0.16 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3dx2 h ASP 485 CO -0.03 0.53 0.36 1.88 -2.88 0.00 0.00 179.24 179.10 3dx2 h TYR 486 N 0.71 0.89 -0.43 0.28 0.05 -0.70 -0.83 116.97 116.95 3dx2 h TYR 486 Ca 0.19 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3dx2 h TYR 486 Cb 0.01 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 3dx2 h TYR 486 CO -0.02 0.63 0.23 1.49 -1.05 0.00 0.00 178.16 179.45 3dx2 h GLU 487 N 0.89 0.60 -0.73 4.88 4.81 -0.63 -0.49 114.58 123.90 3dx2 h GLU 487 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3dx2 h GLU 487 Cb 0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3dx2 h GLU 487 CO -0.04 0.48 0.41 1.96 -0.73 0.00 0.00 179.01 181.09 3dx2 h GLN 488 N 0.56 1.02 -0.44 1.92 4.20 -0.63 0.49 115.11 122.23 3dx2 h GLN 488 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3dx2 h GLN 488 Cb 0.06 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3dx2 h GLN 488 CO -0.02 0.75 0.24 0.00 -0.67 0.00 0.00 178.83 179.13 3dx2 h ARG 489 N 1.01 0.61 -0.23 1.46 3.08 -0.92 -1.47 114.38 117.93 3dx2 h ARG 489 Ca 0.26 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 3dx2 h ARG 489 Cb 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3dx2 h ARG 489 CO -0.04 0.49 -0.22 0.52 -1.07 0.00 0.00 179.97 179.65 3dx2 h MET 490 N 0.57 0.41 -0.56 0.04 2.86 -0.69 -0.72 114.93 116.84 3dx2 h MET 490 Ca 0.15 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3dx2 h MET 490 Cb 0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3dx2 h MET 490 CO -0.02 0.61 0.30 1.96 1.06 0.00 0.00 176.91 180.82 3dx2 h GLN 491 N 0.37 0.79 -0.50 1.72 4.20 -0.58 0.77 115.11 121.88 3dx2 h GLN 491 Ca 0.06 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3dx2 h GLN 491 Cb 0.60 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3dx2 h GLN 491 CO 0.04 0.62 0.00 0.93 -0.67 0.00 0.00 178.83 179.76 3dx2 h GLU 492 N 0.76 0.84 -0.66 1.46 4.39 -0.83 -1.61 114.58 118.93 3dx2 h GLU 492 Ca 0.20 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3dx2 h GLU 492 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3dx2 h GLU 492 CO -0.03 0.84 0.29 0.00 -1.16 0.00 0.00 179.01 178.95 3dx2 h ALA 493 N 1.22 0.85 -0.80 3.43 0.00 -0.59 -0.61 119.26 122.76 3dx2 h ALA 493 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dx2 h ALA 493 Cb 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3dx2 h ALA 493 CO 0.02 0.44 0.49 -0.07 0.00 0.00 0.00 179.25 180.14 3dx2 h LEU 494 N 0.92 0.95 -0.89 0.00 3.38 -0.45 0.19 115.31 119.41 3dx2 h LEU 494 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dx2 h LEU 494 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3dx2 h LEU 494 CO -0.02 0.73 0.55 0.11 0.09 0.00 0.00 178.44 179.90 3dx2 h LYS 495 N 1.09 1.20 -0.50 1.13 1.57 -0.91 -0.35 116.57 119.79 3dx2 h LYS 495 Ca 0.29 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3dx2 h LYS 495 Cb -0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 3dx2 h LYS 495 CO -0.06 0.83 0.15 0.00 -0.57 0.00 0.00 179.45 179.80 3dx2 h ALA 496 N 1.30 0.66 -0.48 3.86 0.00 -0.66 -1.18 119.26 122.76 3dx2 h ALA 496 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dx2 h ALA 496 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dx2 h ALA 496 CO -0.06 0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.74 3dx2 h GLN 498 N 0.63 1.04 -0.07 0.00 4.15 -0.83 0.71 115.11 120.75 3dx2 h GLN 498 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3dx2 h GLN 498 Cb 0.13 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3dx2 h GLN 498 CO -0.02 0.69 0.05 1.98 -1.93 0.00 0.00 178.83 179.60 3dx2 h MET 499 N 1.07 0.10 -0.39 1.69 4.05 -0.86 0.47 114.93 121.06 3dx2 h MET 499 Ca 0.29 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.67 3dx2 h MET 499 Cb -0.12 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3dx2 h MET 499 CO -0.06 0.07 0.11 0.28 0.23 0.00 0.00 176.91 177.54 3dx2 h VAL 500 N 0.09 1.22 -0.41 -5.77 2.07 -1.07 -2.16 116.25 110.23 3dx2 h VAL 500 Ca 0.03 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3dx2 h VAL 500 Cb -0.01 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3dx2 h VAL 500 CO -0.01 0.25 0.21 0.24 0.02 0.00 0.00 177.57 178.29 3dx2 h MET 501 N 0.49 0.58 -0.17 1.57 2.07 -0.63 -1.27 114.93 117.56 3dx2 h MET 501 Ca 0.13 -0.07 -0.17 0.00 -2.07 0.00 0.00 59.70 57.51 3dx2 h MET 501 Cb 0.27 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3dx2 h MET 501 CO -0.00 0.48 -0.61 -0.56 1.07 0.00 0.00 176.91 177.29 3dx2 h GLN 502 N 0.52 0.57 -0.63 1.72 -0.00 -0.83 -0.29 115.11 116.17 3dx2 h GLN 502 Ca 0.14 -0.39 -0.04 0.00 -0.00 0.00 0.00 58.65 58.36 3dx2 h GLN 502 Cb 0.08 0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.59 3dx2 h GLN 502 CO -0.02 1.00 0.23 1.96 -0.00 0.00 0.00 178.83 182.00 3dx2 h GLN 503 N 0.42 0.94 -0.42 0.06 1.08 -1.30 -1.77 115.11 114.12 3dx2 h GLN 503 Ca -0.01 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 3dx2 h GLN 503 Cb 1.17 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 3dx2 h GLN 503 CO 0.11 0.79 0.02 0.77 -0.95 0.00 0.00 178.83 179.57 3dx2 h SER 504 N 0.92 0.70 -0.53 1.46 0.02 -0.71 -2.28 113.55 113.13 3dx2 h SER 504 Ca 0.21 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3dx2 h SER 504 Cb 0.22 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3dx2 h SER 504 CO -0.01 0.82 0.31 0.58 -1.14 0.00 0.00 176.83 177.38 3dx2 h VAL 505 N 0.56 1.17 -1.00 2.27 2.07 -0.87 0.29 116.25 120.75 3dx2 h VAL 505 Ca 0.12 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3dx2 h VAL 505 Cb 0.45 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3dx2 h VAL 505 CO 0.02 0.18 0.65 0.22 0.02 0.00 0.00 177.57 178.66 3dx2 h TYR 506 N 0.71 1.22 -0.13 1.57 3.20 -1.21 -1.52 116.97 120.81 3dx2 h TYR 506 Ca 0.19 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.87 3dx2 h TYR 506 Cb 0.01 -0.41 0.01 0.00 1.54 0.00 0.00 36.73 37.89 3dx2 h TYR 506 CO -0.02 0.68 -0.78 -0.09 -1.64 0.00 0.00 178.16 176.31 3dx2 h ARG 507 N 1.24 0.70 0.00 1.82 2.43 -0.98 -2.78 114.38 116.82 3dx2 h ARG 507 Ca 0.41 -0.58 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 3dx2 h ARG 507 Cb 0.04 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3dx2 h ARG 507 CO -0.14 1.19 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.20 3dx2 h LEU 508 N 0.47 0.00 -2.99 3.80 3.38 -0.50 -3.27 115.31 116.20 3dx2 h LEU 508 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dx2 h LEU 508 Cb 1.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3dx2 h LEU 508 CO 0.15 0.25 -0.07 0.18 0.09 0.00 0.00 178.44 179.04 3dx2 n LEU 509 N -3.42 2.37 -4.26 1.67 4.77 -0.61 -4.84 117.00 112.66 3dx2 n LEU 509 Ca 0.00 -3.17 -0.31 0.00 -0.03 0.00 0.00 56.01 52.50 3dx2 n LEU 509 Cb 0.44 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 3dx2 n LEU 509 CO 0.34 0.79 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.74 3dx2 s THR 510 N -2.89 2.03 -0.00 -5.08 2.01 -1.05 -0.44 115.64 110.22 3dx2 s THR 510 Ca 0.32 -1.05 -0.37 0.00 0.31 0.00 0.00 61.69 60.90 3dx2 s THR 510 Cb 0.29 -1.71 -0.15 0.00 0.01 0.00 0.00 72.50 70.93 3dx2 s THR 510 CO 0.02 0.56 1.53 1.17 -0.69 0.00 0.00 174.62 177.21 3dx2 n LYS 511 N 2.93 1.43 -0.21 4.92 4.81 -0.32 -4.70 118.16 127.02 3dx2 n LYS 511 Ca -0.17 0.52 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 3dx2 n LYS 511 Cb 0.52 -2.21 0.43 0.00 0.02 0.00 0.00 35.03 33.78 3dx2 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3dx2 h PRO 512 N 5.88 0.57 0.00 1.64 0.11 -1.92 0.11 132.00 138.39 3dx2 h PRO 512 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dx2 h PRO 512 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dx2 h PRO 512 CO 0.86 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.89 3dx2 n SER 513 N -4.51 0.00 -0.03 -2.05 3.41 -1.26 -3.08 113.62 106.09 3dx2 n SER 513 Ca 0.15 -0.72 -0.01 0.00 -0.26 0.00 0.00 58.87 58.03 3dx2 n SER 513 Cb 0.44 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 3dx2 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dx2 n ILE 514 N -1.08 0.44 -1.69 -1.33 5.41 0.25 -5.01 119.36 116.34 3dx2 n ILE 514 Ca 0.20 -0.35 -0.53 0.00 1.00 0.00 0.00 62.75 63.07 3dx2 n ILE 514 Cb 0.14 -0.40 -0.06 0.00 -0.71 0.00 0.00 39.64 38.61 3dx2 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dx2 n TYR 515 N -2.19 2.16 -3.28 1.39 9.36 -0.38 -4.91 117.16 119.31 3dx2 n TYR 515 Ca -0.11 0.29 -0.25 0.00 3.32 0.00 0.00 57.90 61.15 3dx2 n TYR 515 Cb 0.63 -2.55 -0.08 0.00 -0.63 0.00 0.00 39.34 36.71 3dx2 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dx2 n SER 516 N 5.77 -0.46 -4.77 2.98 2.88 -1.26 -5.04 113.62 113.72 3dx2 n SER 516 Ca 0.24 -2.52 -0.38 0.00 -1.33 0.00 0.00 58.87 54.87 3dx2 n SER 516 Cb 0.21 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 3dx2 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3dx2 s PRO 517 N -0.30 4.54 -0.23 -1.46 0.04 -1.26 -5.04 135.00 131.29 3dx2 s PRO 517 Ca 0.34 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 3dx2 s PRO 517 Cb 0.09 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 3dx2 s PRO 517 CO -0.16 0.19 0.02 0.34 0.04 0.00 0.00 177.00 177.42 3dx2 s ASP 518 N -1.28 4.79 0.00 6.66 -1.08 -1.26 -5.02 116.67 119.48 3dx2 s ASP 518 Ca 0.49 -0.27 0.19 0.00 -0.52 0.00 0.00 52.55 52.43 3dx2 s ASP 518 Cb -0.25 -1.84 0.99 0.00 -1.46 0.00 0.00 42.92 40.35 3dx2 s ASP 518 CO 0.32 -0.01 1.57 0.49 0.52 0.00 0.00 175.17 178.06 3dx2 n PHE 519 N 4.77 0.00 0.97 -5.34 3.72 -1.26 -1.32 117.46 118.99 3dx2 n PHE 519 Ca -0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.33 3dx2 n PHE 519 Cb 0.51 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 3dx2 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dx2 n SER 520 N -1.23 1.27 -4.80 4.37 3.41 -1.26 -4.98 113.62 110.39 3dx2 n SER 520 Ca 0.10 -1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 57.23 3dx2 n SER 520 Cb 0.13 0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 3dx2 n SER 520 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dx2 s PHE 521 N -2.78 3.31 -0.57 7.33 0.40 -0.44 -5.03 117.98 120.20 3dx2 s PHE 521 Ca 0.11 1.64 -0.15 0.00 -0.60 0.00 0.00 56.93 57.93 3dx2 s PHE 521 Cb 0.16 -2.94 0.14 0.00 0.51 0.00 0.00 43.02 40.89 3dx2 s PHE 521 CO 0.76 -0.27 0.51 0.45 0.70 0.00 0.00 175.22 177.37 3dx2 s SER 522 N -1.96 6.19 0.10 1.36 0.15 -1.26 -4.89 113.70 113.38 3dx2 s SER 522 Ca 0.60 -1.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.33 3dx2 s SER 522 Cb -0.14 -2.18 -0.24 0.00 -1.71 0.00 0.00 66.02 61.75 3dx2 s SER 522 CO 0.18 -0.80 1.20 1.88 1.20 0.00 0.00 173.24 176.90 3dx2 h TYR 523 N 8.69 0.35 -3.82 3.44 0.05 -1.95 -3.43 116.97 120.30 3dx2 h TYR 523 Ca -0.24 -0.25 -0.27 0.00 0.05 0.00 0.00 58.73 58.03 3dx2 h TYR 523 Cb 1.09 -0.02 -0.17 0.00 1.01 0.00 0.00 36.73 38.64 3dx2 h TYR 523 CO 0.75 1.18 -0.72 -0.06 -1.05 0.00 0.00 178.16 178.27 3dx2 s PHE 524 N -2.73 0.89 0.09 4.88 0.40 -1.26 -0.60 117.98 119.65 3dx2 s PHE 524 Ca -0.03 -0.73 0.09 0.00 -0.60 0.00 0.00 56.93 55.67 3dx2 s PHE 524 Cb 0.08 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 3dx2 s PHE 524 CO 0.86 -0.08 -0.23 0.95 0.70 0.00 0.00 175.22 177.42 3dx2 s THR 525 N -2.70 2.47 0.35 0.64 -4.23 -0.69 -4.87 115.64 106.62 3dx2 s THR 525 Ca 0.04 -1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 58.80 3dx2 s THR 525 Cb -0.01 -2.06 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 3dx2 s THR 525 CO -0.02 0.21 1.07 -0.76 -0.54 0.00 0.00 174.62 174.58 3dx2 s LEU 526 N -1.74 4.31 -0.16 4.79 1.43 -1.26 -0.94 118.68 125.10 3dx2 s LEU 526 Ca 0.14 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3dx2 s LEU 526 Cb -0.10 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.17 3dx2 s LEU 526 CO 0.06 -0.35 -0.20 -0.62 0.23 0.00 0.00 176.35 175.47 3dx2 s ASP 527 N -1.30 3.19 -0.15 2.29 2.15 -0.10 -4.92 116.67 117.83 3dx2 s ASP 527 Ca 0.52 -0.61 -0.00 0.00 0.43 0.00 0.00 52.55 52.89 3dx2 s ASP 527 Cb -0.26 -1.48 0.03 0.00 -0.30 0.00 0.00 42.92 40.92 3dx2 s ASP 527 CO 0.33 0.04 -0.09 -0.62 -0.17 0.00 0.00 175.17 174.66 3dx2 s ASP 528 N 1.05 2.72 0.30 -0.34 -1.08 -1.26 -4.13 116.67 113.93 3dx2 s ASP 528 Ca -0.01 -0.56 0.26 0.00 -0.52 0.00 0.00 52.55 51.72 3dx2 s ASP 528 Cb -0.14 -1.02 0.78 0.00 -1.46 0.00 0.00 42.92 41.08 3dx2 s ASP 528 CO -0.07 -0.13 1.75 0.28 0.52 0.00 0.00 175.17 177.52 3dx2 h SER 529 N 8.09 0.00 0.00 -0.34 0.02 -1.98 -3.34 113.55 115.99 3dx2 h SER 529 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3dx2 h SER 529 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3dx2 h SER 529 CO 0.45 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.68 3dx2 n ARG 530 N -2.53 1.19 -3.71 3.45 1.74 -1.26 -4.47 116.66 111.08 3dx2 n ARG 530 Ca 0.04 -0.98 -0.12 0.00 -0.77 0.00 0.00 57.85 56.03 3dx2 n ARG 530 Cb 0.41 -0.92 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 3dx2 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3dx2 s TRP 531 N -0.51 -0.45 -0.49 -1.55 -0.11 -1.26 -3.98 118.94 110.59 3dx2 s TRP 531 Ca 0.00 1.00 0.22 0.00 1.22 0.00 0.00 56.10 58.54 3dx2 s TRP 531 Cb 0.00 0.12 0.95 0.00 -1.50 0.00 0.00 33.47 33.04 3dx2 s TRP 531 CO 0.00 -0.29 1.66 -2.30 -4.62 0.00 0.00 176.95 171.39 3dx2 n PRO 532 N 4.42 0.16 0.00 5.86 -0.02 -1.26 -4.71 135.00 139.45 3dx2 n PRO 532 Ca -0.22 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3dx2 n PRO 532 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3dx2 n PRO 532 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx2 n GLY 533 N -0.29 2.23 3.76 -1.23 0.00 -1.26 -4.24 105.19 104.16 3dx2 n GLY 533 Ca 0.02 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3dx2 n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dx2 s SER 534 N 0.00 6.38 0.00 1.61 0.15 -1.26 -0.58 113.70 119.99 3dx2 s SER 534 Ca 0.00 2.97 0.00 0.00 0.70 0.00 0.00 55.95 59.62 3dx2 s SER 534 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3dx2 s SER 534 CO 0.00 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.16 3dx2 n GLY 535 N 1.71 1.54 0.29 9.45 0.00 -1.26 -4.80 105.19 112.13 3dx2 n GLY 535 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3dx2 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dx2 n VAL 536 N -2.00 1.21 -3.67 1.61 0.31 0.25 -4.95 118.33 111.09 3dx2 n VAL 536 Ca 0.00 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 3dx2 n VAL 536 Cb 0.00 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 3dx2 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3dx2 s GLU 537 N -2.41 0.58 -1.13 5.55 2.12 -0.95 -4.99 118.70 117.48 3dx2 s GLU 537 Ca -0.30 0.99 -0.20 0.00 0.36 0.00 0.00 54.97 55.82 3dx2 s GLU 537 Cb 0.11 0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.69 3dx2 s GLU 537 CO 0.40 -0.14 1.51 0.34 -0.54 0.00 0.00 175.26 176.83 3dx2 s ASP 538 N 1.34 6.70 -0.01 -1.70 -1.08 -1.26 -4.57 116.67 116.08 3dx2 s ASP 538 Ca -0.08 -2.05 0.10 0.00 -0.52 0.00 0.00 52.55 49.99 3dx2 s ASP 538 Cb -0.06 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.73 3dx2 s ASP 538 CO -0.14 -1.25 0.26 -1.54 0.52 0.00 0.00 175.17 173.02 3dx2 n SER 539 N 8.07 2.19 -4.70 -0.34 3.41 -1.26 -5.00 113.62 115.99 3dx2 n SER 539 Ca 0.38 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 3dx2 n SER 539 Cb 0.48 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 3dx2 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dx2 s ARG 540 N -2.46 4.36 0.32 4.33 0.52 -1.26 -5.00 118.95 119.75 3dx2 s ARG 540 Ca -0.02 1.81 -0.27 0.00 -0.52 0.00 0.00 55.73 56.73 3dx2 s ARG 540 Cb 0.06 -3.46 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 3dx2 s ARG 540 CO 0.39 -0.41 1.01 0.95 0.02 0.00 0.00 175.30 177.27 3dx2 s THR 541 N 1.77 3.85 -0.09 0.02 -4.23 -1.26 -5.03 115.64 110.66 3dx2 s THR 541 Ca 0.59 1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 62.57 3dx2 s THR 541 Cb -0.29 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.55 3dx2 s THR 541 CO 0.26 0.23 0.45 -0.89 -0.54 0.00 0.00 174.62 174.13 3dx2 s THR 542 N -1.43 5.15 -0.22 3.99 2.01 -1.26 -4.44 115.64 119.44 3dx2 s THR 542 Ca 0.49 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 3dx2 s THR 542 Cb -0.24 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 3dx2 s THR 542 CO 0.31 0.39 1.32 -0.63 -0.69 0.00 0.00 174.62 175.32 3dx2 s ILE 543 N 0.22 4.15 -0.36 1.82 1.01 0.43 -4.93 121.20 123.55 3dx2 s ILE 543 Ca 0.25 1.35 -0.13 0.00 0.00 0.00 0.00 60.65 62.12 3dx2 s ILE 543 Cb -0.15 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3dx2 s ILE 543 CO 0.11 -0.29 0.25 -0.63 0.00 0.00 0.00 174.94 174.38 3dx2 s ILE 544 N 4.03 5.23 0.19 2.92 1.01 -1.26 -1.26 121.20 132.05 3dx2 s ILE 544 Ca 0.57 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.96 3dx2 s ILE 544 Cb -0.20 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3dx2 s ILE 544 CO 0.20 -0.10 -0.20 -0.76 0.00 0.00 0.00 174.94 174.08 3dx2 s LEU 545 N 1.70 2.46 0.00 2.97 1.43 -1.26 -4.76 118.68 121.22 3dx2 s LEU 545 Ca 0.06 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3dx2 s LEU 545 Cb -0.18 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.07 3dx2 s LEU 545 CO 0.10 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3dx2 n GLY 546 N 0.13 0.87 0.26 -3.19 0.00 -0.14 -4.78 105.19 98.34 3dx2 n GLY 546 Ca -0.12 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.58 3dx2 n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dx2 h GLU 547 N 0.00 0.00 -0.72 1.61 4.81 -1.96 -0.59 114.58 117.72 3dx2 h GLU 547 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dx2 h GLU 547 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dx2 h GLU 547 CO 0.00 0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 178.10 3dx2 n ASP 548 N -4.19 3.86 0.00 1.04 8.00 -1.26 -4.67 116.55 119.33 3dx2 n ASP 548 Ca -0.03 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.47 3dx2 n ASP 548 Cb 0.15 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3dx2 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx2 n ILE 549 N 1.60 0.00 -3.21 0.53 3.06 -0.71 -5.11 119.36 115.52 3dx2 n ILE 549 Ca 0.24 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.53 3dx2 n ILE 549 Cb 0.61 -0.42 -0.02 0.00 0.54 0.00 0.00 39.64 40.35 3dx2 n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3dx2 s LEU 550 N -4.57 -0.69 0.29 9.51 2.96 -0.31 -4.93 118.68 120.94 3dx2 s LEU 550 Ca 0.00 0.55 0.15 0.00 -0.22 0.00 0.00 54.13 54.60 3dx2 s LEU 550 Cb 0.00 1.63 0.31 0.00 0.50 0.00 0.00 46.19 48.63 3dx2 s LEU 550 CO 0.00 -0.13 1.56 -0.65 -1.32 0.00 0.00 176.35 175.81 3dx2 h PRO 551 N 7.88 0.00 -3.47 0.98 0.11 -1.90 -0.34 132.00 135.27 3dx2 h PRO 551 Ca -0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 3dx2 h PRO 551 Cb 1.16 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 3dx2 h PRO 551 CO 0.02 0.54 -0.07 -1.54 -0.21 0.00 0.00 178.00 176.75 3dx2 s SER 552 N -6.53 -0.17 -0.07 -2.05 1.04 -1.26 -1.21 113.70 103.44 3dx2 s SER 552 Ca 0.01 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 3dx2 s SER 552 Cb 0.10 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3dx2 s SER 552 CO 0.73 -1.02 0.18 -0.75 0.98 0.00 0.00 173.24 173.36 3dx2 s LYS 553 N -3.91 0.14 0.14 4.02 2.47 0.28 -4.97 119.74 117.92 3dx2 s LYS 553 Ca 0.12 0.38 -0.29 0.00 -1.56 0.00 0.00 55.97 54.62 3dx2 s LYS 553 Cb 0.00 -0.10 -0.07 0.00 -1.46 0.00 0.00 37.83 36.20 3dx2 s LYS 553 CO -0.01 -0.13 0.92 -1.01 0.16 0.00 0.00 175.35 175.28 3dx2 s HIS 554 N 0.94 3.86 0.12 4.03 3.76 -1.26 -0.80 115.29 125.93 3dx2 s HIS 554 Ca -0.07 1.79 0.07 0.00 -0.15 0.00 0.00 55.06 56.70 3dx2 s HIS 554 Cb -0.09 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 3dx2 s HIS 554 CO -0.05 0.30 -0.18 0.14 -0.85 0.00 0.00 174.74 174.11 3dx2 s VAL 555 N -0.41 1.60 -0.03 -0.90 -7.23 -0.26 -1.72 120.40 111.46 3dx2 s VAL 555 Ca 0.44 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3dx2 s VAL 555 Cb -0.24 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3dx2 s VAL 555 CO 0.29 -0.24 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.10 3dx2 s VAL 556 N -1.68 0.54 -0.07 1.32 1.01 0.02 -0.44 120.40 121.09 3dx2 s VAL 556 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 3dx2 s VAL 556 Cb -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3dx2 s VAL 556 CO 0.05 0.19 -0.03 -0.04 0.00 0.00 0.00 175.10 175.27 3dx2 s MET 557 N 0.42 2.86 -0.06 2.72 -1.94 -0.23 -0.16 119.30 122.89 3dx2 s MET 557 Ca -0.05 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3dx2 s MET 557 Cb -0.09 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 3dx2 s MET 557 CO 0.00 0.68 -0.08 -1.58 -0.01 0.00 0.00 175.02 174.02 3dx2 s HIS 558 N -0.88 2.89 -0.31 -0.03 5.04 0.01 -1.22 115.29 120.79 3dx2 s HIS 558 Ca 0.14 -0.01 0.04 0.00 -1.54 0.00 0.00 55.06 53.68 3dx2 s HIS 558 Cb -0.11 -1.70 0.09 0.00 0.04 0.00 0.00 32.58 30.90 3dx2 s HIS 558 CO 0.03 0.30 -0.01 1.21 -2.34 0.00 0.00 174.74 173.93 3dx2 s ASN 559 N -0.79 4.66 0.31 9.88 2.47 -0.29 -1.14 114.94 130.04 3dx2 s ASN 559 Ca 0.12 -1.88 0.26 0.00 0.42 0.00 0.00 52.86 51.78 3dx2 s ASN 559 Cb -0.11 -1.60 0.98 0.00 -1.45 0.00 0.00 41.25 39.07 3dx2 s ASN 559 CO 0.01 -0.31 1.77 0.00 -3.72 0.00 0.00 177.10 174.85 3dx2 h THR 560 N 6.67 0.00 -3.93 -5.21 1.03 -1.86 -1.81 112.91 107.80 3dx2 h THR 560 Ca -0.10 -0.37 -0.46 0.00 -0.01 0.00 0.00 66.41 65.47 3dx2 h THR 560 Cb 1.03 1.22 -0.02 0.00 -1.07 0.00 0.00 68.15 69.31 3dx2 h THR 560 CO 0.50 0.00 0.32 -0.76 -0.01 0.00 0.00 175.52 175.57 3dx2 s LEU 561 N -4.89 4.16 -0.13 0.00 1.43 -1.26 -4.49 118.68 113.49 3dx2 s LEU 561 Ca 0.05 1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3dx2 s LEU 561 Cb 0.10 -4.22 0.07 0.00 0.03 0.00 0.00 46.19 42.17 3dx2 s LEU 561 CO 0.48 -0.19 2.09 -0.81 0.23 0.00 0.00 176.35 178.14 3dx2 n PRO 562 N 0.01 1.38 -3.85 1.29 -0.04 -1.26 -1.03 135.00 131.50 3dx2 n PRO 562 Ca 0.04 -0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 62.71 3dx2 n PRO 562 Cb 0.52 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 3dx2 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3dx2 s HIS 563 N -0.69 0.05 0.32 0.54 -3.43 -1.26 -0.43 115.29 110.38 3dx2 s HIS 563 Ca 0.16 -0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 53.89 3dx2 s HIS 563 Cb 0.11 -0.03 -0.13 0.00 -1.43 0.00 0.00 32.58 31.11 3dx2 s HIS 563 CO -0.01 -0.41 1.28 0.91 -2.00 0.00 0.00 174.74 174.51 3dx2 n TRP 564 N 0.79 2.14 -3.86 0.38 7.02 -1.26 -3.92 117.44 118.74 3dx2 n TRP 564 Ca -0.19 0.55 -0.12 0.00 -1.02 0.00 0.00 57.50 56.71 3dx2 n TRP 564 Cb 0.58 -2.40 -0.14 0.00 -2.42 0.00 0.00 31.31 26.93 3dx2 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3dx2 s ARG 565 N -1.57 0.03 -0.06 -0.99 3.52 -0.72 -4.95 118.95 114.21 3dx2 s ARG 565 Ca 0.58 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 3dx2 s ARG 565 Cb -0.60 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.77 3dx2 s ARG 565 CO 0.60 -0.01 -0.05 -1.21 -0.81 0.00 0.00 175.30 173.82 3dx2 s GLU 566 N 0.04 2.78 -0.16 5.12 2.02 -1.26 -0.86 118.70 126.38 3dx2 s GLU 566 Ca -0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 3dx2 s GLU 566 Cb -0.01 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.64 3dx2 s GLU 566 CO -0.00 0.66 0.48 -1.14 0.02 0.00 0.00 175.26 175.28 3dx2 s GLN 567 N -0.92 0.60 0.29 1.61 0.74 -0.69 -4.98 119.66 116.31 3dx2 s GLN 567 Ca 0.13 0.57 -0.29 0.00 0.05 0.00 0.00 55.36 55.82 3dx2 s GLN 567 Cb -0.11 0.29 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 3dx2 s GLN 567 CO 0.03 -0.09 1.28 -0.51 -0.55 0.00 0.00 175.29 175.45 3dx2 s LEU 568 N 0.02 4.44 0.09 3.68 1.43 -1.26 -1.19 118.68 125.90 3dx2 s LEU 568 Ca -0.02 2.56 0.07 0.00 -1.03 0.00 0.00 54.13 55.72 3dx2 s LEU 568 Cb -0.03 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3dx2 s LEU 568 CO 0.02 -0.48 -0.19 0.68 0.23 0.00 0.00 176.35 176.61 3dx2 s VAL 569 N -0.83 1.54 0.07 -1.59 -7.23 -0.00 -4.90 120.40 107.46 3dx2 s VAL 569 Ca 0.50 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 3dx2 s VAL 569 Cb -0.38 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3dx2 s VAL 569 CO 0.48 -0.12 -0.16 1.51 -0.31 0.00 0.00 175.10 176.50 3dx2 s ASP 570 N -1.88 1.90 0.08 4.85 -4.77 -1.26 -1.58 116.67 114.01 3dx2 s ASP 570 Ca 0.04 -0.60 0.03 0.00 -3.30 0.00 0.00 52.55 48.73 3dx2 s ASP 570 Cb -0.10 -0.09 -0.03 0.00 -1.09 0.00 0.00 42.92 41.61 3dx2 s ASP 570 CO 0.04 -0.01 -0.10 -0.36 0.70 0.00 0.00 175.17 175.44 3dx2 s PHE 571 N -1.14 0.94 -0.00 2.11 0.40 -0.30 -4.92 117.98 115.07 3dx2 s PHE 571 Ca 0.01 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.52 3dx2 s PHE 571 Cb -0.10 -0.53 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 3dx2 s PHE 571 CO 0.02 -0.04 0.60 0.71 0.70 0.00 0.00 175.22 177.22 3dx2 s TYR 572 N -2.10 3.69 0.08 0.36 2.02 -1.26 -0.96 117.35 119.17 3dx2 s TYR 572 Ca 0.00 1.21 0.03 0.00 -0.37 0.00 0.00 57.07 57.95 3dx2 s TYR 572 Cb -0.05 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 3dx2 s TYR 572 CO -0.00 0.35 -0.09 0.14 -1.57 0.00 0.00 175.55 174.38 3dx2 s VAL 573 N -0.19 0.81 -2.23 0.71 -7.23 0.23 -0.43 120.40 112.07 3dx2 s VAL 573 Ca 0.31 -1.51 0.23 0.00 -1.81 0.00 0.00 61.98 59.21 3dx2 s VAL 573 Cb -0.18 -1.18 0.54 0.00 0.56 0.00 0.00 36.38 36.12 3dx2 s VAL 573 CO 0.17 -0.53 1.70 -1.54 -0.31 0.00 0.00 175.10 174.59 3dx2 n SER 574 N 0.77 1.07 -3.91 4.85 3.41 -0.39 -0.70 113.62 118.72 3dx2 n SER 574 Ca -0.18 -1.52 -0.11 0.00 -0.26 0.00 0.00 58.87 56.81 3dx2 n SER 574 Cb 0.57 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3dx2 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dx2 s SER 575 N -1.71 0.08 0.09 4.04 0.15 -1.26 -4.74 113.70 110.35 3dx2 s SER 575 Ca 0.34 -0.22 0.25 0.00 0.70 0.00 0.00 55.95 57.03 3dx2 s SER 575 Cb 0.18 0.15 0.99 0.00 -1.71 0.00 0.00 66.02 65.62 3dx2 s SER 575 CO 0.28 -0.25 1.79 -0.81 1.20 0.00 0.00 173.24 175.45 3dx2 n PRO 576 N 1.94 0.10 -3.09 5.44 -0.04 -1.26 -4.42 135.00 133.67 3dx2 n PRO 576 Ca -0.20 0.15 -0.44 0.00 -0.04 0.00 0.00 63.50 62.97 3dx2 n PRO 576 Cb 0.56 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3dx2 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dx2 n PHE 577 N -1.81 3.31 -4.78 0.54 3.72 -1.26 -4.93 117.46 112.25 3dx2 n PHE 577 Ca 0.05 -3.04 -0.24 0.00 -0.05 0.00 0.00 57.45 54.18 3dx2 n PHE 577 Cb 0.33 -1.45 -0.15 0.00 -0.94 0.00 0.00 39.48 37.27 3dx2 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dx2 s VAL 578 N -2.12 1.30 0.23 -4.37 1.01 -1.26 -0.74 120.40 114.45 3dx2 s VAL 578 Ca 0.32 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3dx2 s VAL 578 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3dx2 s VAL 578 CO 0.04 0.37 -0.19 -0.94 0.00 0.00 0.00 175.10 174.39 3dx2 s SER 579 N -0.28 3.13 -0.04 3.32 1.04 -0.08 -4.79 113.70 116.00 3dx2 s SER 579 Ca 0.04 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.55 3dx2 s SER 579 Cb -0.07 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3dx2 s SER 579 CO -0.00 -0.02 -0.22 -0.69 0.98 0.00 0.00 173.24 173.29 3dx2 s VAL 580 N -2.46 2.40 0.13 5.02 1.01 -1.26 -1.09 120.40 124.14 3dx2 s VAL 580 Ca 0.24 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3dx2 s VAL 580 Cb -0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3dx2 s VAL 580 CO 0.11 0.58 -0.12 0.42 0.00 0.00 0.00 175.10 176.09 3dx2 s THR 581 N -0.48 1.21 0.61 3.92 -4.23 -0.53 -0.85 115.64 115.29 3dx2 s THR 581 Ca 0.06 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3dx2 s THR 581 Cb -0.11 -1.63 0.13 0.00 1.34 0.00 0.00 72.50 72.22 3dx2 s THR 581 CO 0.01 -0.57 0.83 -0.90 -0.54 0.00 0.00 174.62 173.45 3dx2 n ASP 582 N 0.23 0.81 -1.38 3.99 5.68 -0.45 -0.73 116.55 124.69 3dx2 n ASP 582 Ca -0.13 -1.75 0.02 0.00 -0.50 0.00 0.00 54.79 52.42 3dx2 n ASP 582 Cb 0.59 -0.57 0.22 0.00 -1.14 0.00 0.00 41.12 40.22 3dx2 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3dx2 n LEU 583 N 0.00 4.01 -1.11 -2.12 7.94 -1.20 -1.14 117.00 123.38 3dx2 n LEU 583 Ca 0.13 -2.05 0.09 0.00 -1.11 0.00 0.00 56.01 53.07 3dx2 n LEU 583 Cb 0.45 -0.62 0.27 0.00 0.53 0.00 0.00 43.42 44.04 3dx2 n LEU 583 CO 0.31 0.52 0.73 0.00 -1.11 0.00 0.00 177.39 177.84 3dx2 n ALA 584 N 0.26 2.55 -1.48 1.96 0.00 -1.26 -4.87 120.51 117.67 3dx2 n ALA 584 Ca 0.19 -1.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.06 3dx2 n ALA 584 Cb 0.87 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 3dx2 n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3dx2 n ASN 585 N 0.89 -4.61 -4.72 0.00 5.15 -0.29 -4.98 115.26 106.70 3dx2 n ASN 585 Ca 0.20 0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 54.07 3dx2 n ASN 585 Cb 0.65 -3.37 -0.03 0.00 -0.53 0.00 0.00 39.78 36.50 3dx2 n ASN 585 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3dx2 s ASN 586 N -2.81 7.21 0.53 1.20 0.01 -1.26 -4.80 114.94 115.02 3dx2 s ASN 586 Ca 0.00 1.91 -0.22 0.00 -0.71 0.00 0.00 52.86 53.83 3dx2 s ASN 586 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 3dx2 s ASN 586 CO 0.00 -0.36 1.37 -2.16 -1.51 0.00 0.00 177.10 174.45 3dx2 s PRO 587 N 0.81 3.26 -0.08 -0.60 0.04 -1.26 -1.34 135.00 135.82 3dx2 s PRO 587 Ca 0.55 2.27 0.03 0.00 0.04 0.00 0.00 61.00 63.89 3dx2 s PRO 587 Cb -0.27 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3dx2 s PRO 587 CO 0.30 -1.11 -0.17 0.08 0.04 0.00 0.00 177.00 176.14 3dx2 s VAL 588 N -1.28 1.49 0.30 -0.36 1.01 -0.03 -4.84 120.40 116.69 3dx2 s VAL 588 Ca 0.69 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3dx2 s VAL 588 Cb -0.41 -1.32 -0.11 0.00 0.00 0.00 0.00 36.38 34.54 3dx2 s VAL 588 CO 0.50 0.43 1.51 -0.70 0.00 0.00 0.00 175.10 176.84 3dx2 s GLU 589 N 0.54 4.18 0.08 2.72 2.12 -1.26 -4.25 118.70 122.82 3dx2 s GLU 589 Ca -0.16 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.64 3dx2 s GLU 589 Cb -0.17 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3dx2 s GLU 589 CO 0.06 -0.52 -0.04 0.00 -0.54 0.00 0.00 175.26 174.22 3dx2 s ALA 590 N -0.31 0.79 -0.03 6.30 0.00 -0.23 -4.29 121.76 123.99 3dx2 s ALA 590 Ca 0.59 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3dx2 s ALA 590 Cb -0.45 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 3dx2 s ALA 590 CO 0.50 -0.32 -0.12 -1.14 0.00 0.00 0.00 175.76 174.68 3dx2 s GLN 591 N -3.89 1.15 -0.11 0.00 0.74 -0.06 -1.17 119.66 116.31 3dx2 s GLN 591 Ca 0.11 -0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 3dx2 s GLN 591 Cb 0.07 -1.06 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 3dx2 s GLN 591 CO -0.06 0.18 -0.04 0.08 -0.55 0.00 0.00 175.29 174.91 3dx2 s VAL 592 N 0.03 3.96 0.19 1.34 1.01 0.37 -0.17 120.40 127.12 3dx2 s VAL 592 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3dx2 s VAL 592 Cb -0.08 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3dx2 s VAL 592 CO 0.01 0.55 -0.12 -0.44 0.00 0.00 0.00 175.10 175.10 3dx2 s SER 593 N -0.32 2.28 0.91 3.32 0.01 -0.23 -1.52 113.70 118.13 3dx2 s SER 593 Ca 0.06 -1.03 -0.12 0.00 1.31 0.00 0.00 55.95 56.17 3dx2 s SER 593 Cb -0.12 -0.09 0.13 0.00 0.21 0.00 0.00 66.02 66.15 3dx2 s SER 593 CO 0.02 -0.24 1.09 -2.84 0.41 0.00 0.00 173.24 171.68 3dx2 s PRO 594 N -3.69 1.17 -0.42 12.44 0.02 -1.26 -0.64 135.00 142.62 3dx2 s PRO 594 Ca 0.21 0.80 -0.18 0.00 0.02 0.00 0.00 61.00 61.85 3dx2 s PRO 594 Cb 0.01 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.75 3dx2 s PRO 594 CO 0.05 -2.29 0.47 0.08 -0.33 0.00 0.00 177.00 174.98 3dx2 s VAL 595 N -2.93 5.04 -0.19 3.83 1.01 -1.26 -4.46 120.40 121.44 3dx2 s VAL 595 Ca 0.64 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 3dx2 s VAL 595 Cb -0.18 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3dx2 s VAL 595 CO 0.57 -0.46 0.12 0.26 0.00 0.00 0.00 175.10 175.59 3dx2 s TRP 596 N 2.26 3.40 0.07 5.22 0.52 -1.26 -1.21 118.94 127.93 3dx2 s TRP 596 Ca 0.14 0.31 0.07 0.00 0.02 0.00 0.00 56.10 56.64 3dx2 s TRP 596 Cb -0.17 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 3dx2 s TRP 596 CO 0.15 0.31 -0.19 -1.54 0.02 0.00 0.00 176.95 175.70 3dx2 s SER 597 N 0.21 2.27 -0.03 2.95 1.04 -0.07 -4.94 113.70 115.13 3dx2 s SER 597 Ca 0.08 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 3dx2 s SER 597 Cb -0.11 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3dx2 s SER 597 CO -0.01 0.07 0.14 0.26 0.98 0.00 0.00 173.24 174.69 3dx2 s TRP 598 N -0.99 3.47 -0.02 5.02 0.52 -1.26 0.45 118.94 126.13 3dx2 s TRP 598 Ca 0.05 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.49 3dx2 s TRP 598 Cb -0.09 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 3dx2 s TRP 598 CO 0.03 0.63 0.04 -1.01 0.02 0.00 0.00 176.95 176.66 3dx2 s HIS 599 N -1.23 -0.04 -0.35 -1.98 3.76 -0.51 -4.97 115.29 109.98 3dx2 s HIS 599 Ca 0.24 0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 3dx2 s HIS 599 Cb -0.12 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 3dx2 s HIS 599 CO 0.14 -0.02 1.61 -1.01 -0.85 0.00 0.00 174.74 174.61 3dx2 s HIS 600 N 0.06 2.10 -0.64 1.40 3.76 -1.26 -1.75 115.29 118.95 3dx2 s HIS 600 Ca -0.00 0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 55.35 3dx2 s HIS 600 Cb -0.01 -4.18 0.10 0.00 1.11 0.00 0.00 32.58 29.61 3dx2 s HIS 600 CO -0.00 -2.55 0.80 0.34 -0.85 0.00 0.00 174.74 172.48 3dx2 s ASP 601 N 4.92 6.24 0.00 1.40 -1.08 0.46 -4.86 116.67 123.74 3dx2 s ASP 601 Ca 0.71 -1.43 0.21 0.00 -0.52 0.00 0.00 52.55 51.53 3dx2 s ASP 601 Cb -0.19 -2.33 1.22 0.00 -1.46 0.00 0.00 42.92 40.15 3dx2 s ASP 601 CO 0.32 -1.17 1.67 0.35 0.52 0.00 0.00 175.17 176.86 3dx2 n THR 602 N 5.57 0.11 -0.05 1.71 -2.24 -1.26 0.54 114.28 118.66 3dx2 n THR 602 Ca -0.05 0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 3dx2 n THR 602 Cb 0.44 -0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3dx2 n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx2 h LEU 603 N 0.00 0.00 0.00 3.22 -0.00 -1.95 -3.40 115.31 113.19 3dx2 h LEU 603 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3dx2 h LEU 603 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3dx2 h LEU 603 CO 0.00 0.54 -0.24 0.35 -0.00 0.00 0.00 178.44 179.08 3dx2 n THR 604 N -4.52 0.02 -3.57 0.22 -2.24 -1.15 -4.94 114.28 98.09 3dx2 n THR 604 Ca -0.02 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 3dx2 n THR 604 Cb 0.08 -0.15 0.08 0.00 -2.10 0.00 0.00 70.33 68.24 3dx2 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dx2 n LYS 605 N -1.52 -7.78 -4.26 -0.78 4.76 0.19 -5.01 118.16 103.75 3dx2 n LYS 605 Ca 0.06 0.82 -0.15 0.00 -2.87 0.00 0.00 58.31 56.17 3dx2 n LYS 605 Cb 0.34 -5.86 -0.10 0.00 -1.84 0.00 0.00 35.03 27.57 3dx2 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dx2 s THR 606 N -3.32 1.27 -0.31 -0.18 -4.23 -1.12 -4.98 115.64 102.77 3dx2 s THR 606 Ca 0.52 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 3dx2 s THR 606 Cb -0.23 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.80 3dx2 s THR 606 CO 0.72 -0.67 0.12 -0.63 -0.54 0.00 0.00 174.62 173.62 3dx2 s ILE 607 N -3.08 4.19 0.09 2.99 1.01 -1.26 -0.40 121.20 124.73 3dx2 s ILE 607 Ca 0.16 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 3dx2 s ILE 607 Cb 0.01 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 3dx2 s ILE 607 CO 0.02 0.02 0.18 -1.38 0.00 0.00 0.00 174.94 173.78 3dx2 s HIS 608 N 1.53 0.18 0.06 3.97 -3.43 -0.72 -4.33 115.29 112.55 3dx2 s HIS 608 Ca 0.03 -0.61 -0.15 0.00 -0.80 0.00 0.00 55.06 53.52 3dx2 s HIS 608 Cb -0.18 -0.08 -0.06 0.00 -1.43 0.00 0.00 32.58 30.84 3dx2 s HIS 608 CO 0.04 -0.54 0.49 -1.25 -2.00 0.00 0.00 174.74 171.47 3dx2 s PRO 609 N -3.87 4.00 -0.06 -0.38 0.04 -1.26 -1.42 135.00 132.04 3dx2 s PRO 609 Ca 0.05 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.62 3dx2 s PRO 609 Cb 0.05 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 3dx2 s PRO 609 CO -0.11 0.62 -0.12 -0.65 0.04 0.00 0.00 177.00 176.79 3dx2 s GLN 610 N -1.37 2.68 -0.12 4.56 -1.52 0.17 -4.93 119.66 119.13 3dx2 s GLN 610 Ca 0.29 -0.64 -0.10 0.00 -1.95 0.00 0.00 55.36 52.96 3dx2 s GLN 610 Cb -0.17 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.10 3dx2 s GLN 610 CO 0.17 0.59 0.19 0.20 -0.25 0.00 0.00 175.29 176.20 3dx2 s GLY 611 N -0.64 2.19 0.40 3.09 0.00 -1.26 -0.90 107.32 110.20 3dx2 s GLY 611 Ca 0.10 -0.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 3dx2 s GLY 611 CO 0.01 -0.10 1.23 -0.45 0.00 0.00 0.00 173.10 173.80 3dx2 s SER 612 N -0.57 6.42 0.00 1.64 0.15 -0.35 -4.89 113.70 116.10 3dx2 s SER 612 Ca 0.15 2.50 0.18 0.00 0.70 0.00 0.00 55.95 59.48 3dx2 s SER 612 Cb -0.13 -2.63 0.11 0.00 -1.71 0.00 0.00 66.02 61.67 3dx2 s SER 612 CO 0.04 -0.76 1.05 0.35 1.20 0.00 0.00 173.24 175.12 3dx2 n THR 613 N 0.12 0.00 -0.01 6.45 -2.24 -1.26 -4.35 114.28 112.98 3dx2 n THR 613 Ca 0.04 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3dx2 n THR 613 Cb 0.45 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 3dx2 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dx2 n THR 614 N 0.80 0.00 -3.69 4.28 -2.24 -1.26 -4.14 114.28 108.03 3dx2 n THR 614 Ca 0.10 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3dx2 n THR 614 Cb 0.44 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 3dx2 n THR 614 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dx2 s LYS 615 N -0.69 0.97 0.09 -0.78 -2.85 -1.26 -4.68 119.74 110.54 3dx2 s LYS 615 Ca 0.00 -0.62 -0.05 0.00 -1.00 0.00 0.00 55.97 54.30 3dx2 s LYS 615 Cb 0.00 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 3dx2 s LYS 615 CO 0.00 -0.35 0.10 0.71 0.10 0.00 0.00 175.35 175.91 3dx2 s TYR 616 N -3.29 0.44 -0.19 1.78 2.02 0.12 -4.07 117.35 114.15 3dx2 s TYR 616 Ca -0.00 -0.89 -0.07 0.00 -0.37 0.00 0.00 57.07 55.74 3dx2 s TYR 616 Cb 0.01 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 3dx2 s TYR 616 CO -0.08 -0.50 0.06 1.03 -1.57 0.00 0.00 175.55 174.48 3dx2 s ARG 617 N -3.93 3.90 -0.10 -0.62 0.52 0.19 -0.60 118.95 118.32 3dx2 s ARG 617 Ca 0.10 -0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.92 3dx2 s ARG 617 Cb 0.06 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3dx2 s ARG 617 CO -0.07 0.19 -0.01 -1.50 0.02 0.00 0.00 175.30 173.93 3dx2 s ILE 618 N 0.58 4.16 -0.04 1.52 2.07 -0.14 -1.07 121.20 128.29 3dx2 s ILE 618 Ca 0.03 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 3dx2 s ILE 618 Cb -0.13 -2.76 -0.00 0.00 0.13 0.00 0.00 42.46 39.70 3dx2 s ILE 618 CO 0.01 0.58 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.84 3dx2 s ILE 619 N -0.58 1.23 0.19 2.00 1.01 0.76 -1.15 121.20 124.67 3dx2 s ILE 619 Ca 0.09 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 3dx2 s ILE 619 Cb -0.12 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3dx2 s ILE 619 CO 0.02 0.36 0.49 0.72 0.00 0.00 0.00 174.94 176.53 3dx2 s PHE 620 N 0.06 -0.06 -0.29 3.97 -0.71 -0.61 -0.88 117.98 119.45 3dx2 s PHE 620 Ca -0.03 -0.28 -0.23 0.00 -1.04 0.00 0.00 56.93 55.35 3dx2 s PHE 620 Cb -0.10 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 42.03 3dx2 s PHE 620 CO 0.01 -0.88 0.76 0.21 -1.34 0.00 0.00 175.22 173.99 3dx2 s LYS 621 N -3.88 4.00 -0.00 1.99 2.20 -1.26 -0.82 119.74 121.96 3dx2 s LYS 621 Ca 0.10 0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 56.16 3dx2 s LYS 621 Cb -0.00 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 3dx2 s LYS 621 CO -0.03 -0.62 0.40 0.00 -0.36 0.00 0.00 175.35 174.73 3dx2 s ALA 622 N 2.87 3.71 -0.18 3.13 0.00 -0.33 -4.92 121.76 126.03 3dx2 s ALA 622 Ca 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.04 3dx2 s ALA 622 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.63 3dx2 s ALA 622 CO 0.11 0.49 -0.19 0.50 0.00 0.00 0.00 175.76 176.68 3dx2 s ARG 623 N -1.12 3.04 -0.02 0.00 3.52 -1.26 -1.70 118.95 121.41 3dx2 s ARG 623 Ca 0.24 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 3dx2 s ARG 623 Cb -0.16 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3dx2 s ARG 623 CO 0.13 -0.17 -0.12 0.08 -0.81 0.00 0.00 175.30 174.41 3dx2 s VAL 624 N 1.21 0.99 1.04 7.11 1.01 -0.04 -4.79 120.40 126.93 3dx2 s VAL 624 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3dx2 s VAL 624 Cb -0.14 -0.85 0.21 0.00 0.00 0.00 0.00 36.38 35.61 3dx2 s VAL 624 CO -0.10 0.29 1.09 -2.84 0.00 0.00 0.00 175.10 173.54 3dx2 s PRO 625 N -0.06 0.06 0.19 2.72 0.02 -1.26 -1.76 135.00 134.91 3dx2 s PRO 625 Ca 0.00 1.20 -0.32 0.00 0.02 0.00 0.00 61.00 61.90 3dx2 s PRO 625 Cb -0.07 -1.64 -0.12 0.00 0.02 0.00 0.00 34.50 32.68 3dx2 s PRO 625 CO 0.00 -3.17 1.71 -2.30 -0.33 0.00 0.00 177.00 172.91 3dx2 n PRO 626 N -4.57 2.66 -4.11 5.54 -0.02 -1.25 -2.08 135.00 131.17 3dx2 n PRO 626 Ca 0.07 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.18 3dx2 n PRO 626 Cb 0.53 -2.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 3dx2 n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dx2 n MET 627 N 4.07 -3.85 -1.97 -0.52 2.81 -0.20 -4.75 117.12 112.71 3dx2 n MET 627 Ca 0.16 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.49 3dx2 n MET 627 Cb 0.34 -5.16 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 3dx2 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dx2 n GLY 628 N -1.53 4.08 3.05 3.03 0.00 -0.88 -4.83 105.19 108.11 3dx2 n GLY 628 Ca 0.03 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 3dx2 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx2 s LEU 629 N 0.00 2.20 -0.01 0.99 1.43 0.06 -1.14 118.68 122.21 3dx2 s LEU 629 Ca 0.00 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3dx2 s LEU 629 Cb 0.00 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.00 3dx2 s LEU 629 CO 0.00 -0.13 0.02 0.00 0.23 0.00 0.00 176.35 176.47 3dx2 s ALA 630 N -1.08 -0.03 -0.11 4.21 0.00 -0.36 -1.19 121.76 123.21 3dx2 s ALA 630 Ca -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 3dx2 s ALA 630 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3dx2 s ALA 630 CO 0.00 -0.02 -0.00 0.99 0.00 0.00 0.00 175.76 176.73 3dx2 s THR 631 N 0.17 4.26 0.23 0.00 2.01 -0.25 -1.07 115.64 121.00 3dx2 s THR 631 Ca -0.01 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3dx2 s THR 631 Cb -0.02 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3dx2 s THR 631 CO -0.00 0.57 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 3dx2 s TYR 632 N -0.48 1.63 -0.05 4.92 1.51 0.41 -3.27 117.35 122.02 3dx2 s TYR 632 Ca 0.08 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 3dx2 s TYR 632 Cb -0.12 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 3dx2 s TYR 632 CO 0.02 0.08 -0.15 0.08 -1.11 0.00 0.00 175.55 174.47 3dx2 s VAL 633 N -3.27 1.32 -0.21 0.71 1.01 0.09 -1.10 120.40 118.95 3dx2 s VAL 633 Ca 0.27 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3dx2 s VAL 633 Cb 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3dx2 s VAL 633 CO 0.08 0.39 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 3dx2 s LEU 634 N 0.21 3.48 -0.04 3.92 1.43 0.01 -1.45 118.68 126.24 3dx2 s LEU 634 Ca -0.07 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3dx2 s LEU 634 Cb -0.12 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dx2 s LEU 634 CO 0.03 0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.65 3dx2 s THR 635 N 0.95 1.23 0.39 5.49 2.01 -0.25 -0.56 115.64 124.89 3dx2 s THR 635 Ca 0.03 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.25 3dx2 s THR 635 Cb -0.14 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 3dx2 s THR 635 CO 0.02 0.36 0.84 -0.51 -0.69 0.00 0.00 174.62 174.65 3dx2 s ILE 636 N 0.05 4.56 0.30 1.82 2.07 -0.35 -0.91 121.20 128.75 3dx2 s ILE 636 Ca -0.03 1.15 0.03 0.00 -1.41 0.00 0.00 60.65 60.39 3dx2 s ILE 636 Cb -0.10 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.82 3dx2 s ILE 636 CO 0.01 -0.31 0.14 -0.94 -1.91 0.00 0.00 174.94 171.93 3dx2 s SER 637 N -2.38 1.51 0.06 4.50 1.04 0.08 -4.92 113.70 113.60 3dx2 s SER 637 Ca 0.57 -1.51 0.26 0.00 0.48 0.00 0.00 55.95 55.76 3dx2 s SER 637 Cb -0.10 0.32 0.76 0.00 0.10 0.00 0.00 66.02 67.10 3dx2 s SER 637 CO 0.18 -0.84 1.62 -0.90 0.98 0.00 0.00 173.24 174.28 3dx2 n ASP 638 N -0.80 0.43 -3.31 7.02 5.68 -1.26 -4.74 116.55 119.57 3dx2 n ASP 638 Ca 0.00 0.21 -0.16 0.00 -0.50 0.00 0.00 54.79 54.33 3dx2 n ASP 638 Cb 0.65 -0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 40.39 3dx2 n ASP 638 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dx2 s SER 639 N -3.52 1.20 -0.07 -1.12 1.04 -1.26 -5.06 113.70 104.91 3dx2 s SER 639 Ca 0.11 -1.59 -0.35 0.00 0.48 0.00 0.00 55.95 54.60 3dx2 s SER 639 Cb 0.16 0.61 -0.12 0.00 0.10 0.00 0.00 66.02 66.77 3dx2 s SER 639 CO 0.63 -1.19 1.82 0.29 0.98 0.00 0.00 173.24 175.78 3dx2 n LYS 640 N -0.58 2.06 -1.98 4.02 5.02 -1.26 -4.83 118.16 120.61 3dx2 n LYS 640 Ca 0.04 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.73 3dx2 n LYS 640 Cb 0.62 -2.57 0.03 0.00 -0.02 0.00 0.00 35.03 33.09 3dx2 n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dx2 s PRO 641 N 3.60 2.99 0.35 1.97 0.02 -1.26 -4.96 135.00 137.70 3dx2 s PRO 641 Ca 0.92 1.63 0.05 0.00 0.02 0.00 0.00 61.00 63.61 3dx2 s PRO 641 Cb -0.73 -1.95 0.70 0.00 0.02 0.00 0.00 34.50 32.54 3dx2 s PRO 641 CO 0.51 -1.15 1.94 1.49 -0.33 0.00 0.00 177.00 179.47 3dx2 h GLU 642 N 0.66 0.78 -0.32 5.54 4.81 -1.98 -3.08 114.58 121.00 3dx2 h GLU 642 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3dx2 h GLU 642 Cb 1.27 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3dx2 h GLU 642 CO 0.55 0.52 0.00 0.72 -0.73 0.00 0.00 179.01 180.07 3dx2 n HIS 643 N -4.48 0.81 -4.65 0.92 8.25 -1.26 -4.89 115.22 109.92 3dx2 n HIS 643 Ca 0.12 -0.72 -0.33 0.00 -0.26 0.00 0.00 57.72 56.53 3dx2 n HIS 643 Cb 0.23 -0.21 -0.15 0.00 1.12 0.00 0.00 29.99 30.98 3dx2 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dx2 s THR 644 N -2.09 2.62 0.35 1.59 2.01 -1.17 -1.07 115.64 117.89 3dx2 s THR 644 Ca 0.36 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.64 3dx2 s THR 644 Cb 0.26 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3dx2 s THR 644 CO 0.12 0.52 0.36 -0.94 -0.69 0.00 0.00 174.62 173.99 3dx2 s SER 645 N 0.69 5.41 -0.07 3.53 1.04 -0.32 -4.65 113.70 119.34 3dx2 s SER 645 Ca -0.08 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.93 3dx2 s SER 645 Cb -0.16 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 65.01 3dx2 s SER 645 CO 0.02 -0.44 -0.22 -0.31 0.98 0.00 0.00 173.24 173.27 3dx2 s TYR 646 N -2.31 2.22 0.52 5.02 2.02 -1.26 -0.48 117.35 123.08 3dx2 s TYR 646 Ca 0.44 -0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 56.16 3dx2 s TYR 646 Cb -0.06 -1.49 -0.06 0.00 -0.40 0.00 0.00 41.96 39.94 3dx2 s TYR 646 CO 0.28 -0.29 1.13 0.00 -1.57 0.00 0.00 175.55 175.10 3dx2 s ALA 647 N 0.16 2.78 0.42 3.71 0.00 -0.58 -4.91 121.76 123.34 3dx2 s ALA 647 Ca -0.11 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 3dx2 s ALA 647 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3dx2 s ALA 647 CO 0.05 -0.69 0.71 -1.54 0.00 0.00 0.00 175.76 174.29 3dx2 s SER 648 N -1.70 6.32 -0.02 0.00 1.04 0.07 -4.86 113.70 114.56 3dx2 s SER 648 Ca 0.70 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.97 3dx2 s SER 648 Cb -0.24 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.69 3dx2 s SER 648 CO 0.28 -0.45 -0.00 0.20 0.98 0.00 0.00 173.24 174.24 3dx2 s ASN 649 N -3.86 0.31 -0.09 7.02 0.01 -1.26 -0.92 114.94 116.15 3dx2 s ASN 649 Ca 0.46 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.58 3dx2 s ASN 649 Cb -0.10 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.46 3dx2 s ASN 649 CO 0.40 -0.05 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.65 3dx2 s LEU 650 N 0.61 1.07 -0.30 0.60 2.96 0.46 -0.80 118.68 123.29 3dx2 s LEU 650 Ca -0.06 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 3dx2 s LEU 650 Cb -0.09 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 3dx2 s LEU 650 CO -0.01 -0.12 0.15 -0.22 -1.32 0.00 0.00 176.35 174.83 3dx2 s LEU 651 N 1.62 4.04 -0.35 -0.68 1.98 0.18 -0.29 118.68 125.18 3dx2 s LEU 651 Ca 0.02 -0.39 -0.10 0.00 -2.89 0.00 0.00 54.13 50.76 3dx2 s LEU 651 Cb -0.13 -2.02 0.02 0.00 0.66 0.00 0.00 46.19 44.72 3dx2 s LEU 651 CO -0.06 -0.15 0.19 -0.76 -1.89 0.00 0.00 176.35 173.68 3dx2 s LEU 652 N 1.65 4.52 -0.15 -0.68 1.43 0.12 -1.81 118.68 123.75 3dx2 s LEU 652 Ca 0.05 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.01 3dx2 s LEU 652 Cb -0.17 -2.02 0.13 0.00 0.03 0.00 0.00 46.19 44.17 3dx2 s LEU 652 CO 0.07 -0.32 1.03 0.00 0.23 0.00 0.00 176.35 177.36 3dx2 s ARG 653 N 1.57 0.56 0.51 1.70 1.70 -0.16 -1.65 118.95 123.17 3dx2 s ARG 653 Ca 0.03 0.03 -0.19 0.00 -0.47 0.00 0.00 55.73 55.12 3dx2 s ARG 653 Cb -0.18 0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.38 3dx2 s ARG 653 CO 0.06 -0.20 1.05 0.15 -1.08 0.00 0.00 175.30 175.28 3dx2 s LYS 654 N -1.58 3.70 -1.09 3.89 1.02 -1.26 -4.17 119.74 120.25 3dx2 s LYS 654 Ca 0.02 1.34 -0.17 0.00 0.02 0.00 0.00 55.97 57.18 3dx2 s LYS 654 Cb -0.01 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3dx2 s LYS 654 CO -0.02 -0.51 0.81 -1.71 -0.92 0.00 0.00 175.35 173.00 3dx2 n ASN 655 N -1.16 -5.68 -4.82 2.83 2.85 -1.26 -4.95 115.26 103.07 3dx2 n ASN 655 Ca 0.09 -0.92 -0.32 0.00 -0.11 0.00 0.00 54.58 53.33 3dx2 n ASN 655 Cb 0.52 -3.74 0.03 0.00 1.24 0.00 0.00 39.78 37.83 3dx2 n ASN 655 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3dx2 s PRO 656 N -5.53 3.19 0.27 1.20 0.04 -1.26 -5.07 135.00 127.84 3dx2 s PRO 656 Ca 0.44 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.58 3dx2 s PRO 656 Cb -0.14 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3dx2 s PRO 656 CO 0.84 -0.90 -0.11 0.95 0.04 0.00 0.00 177.00 177.82 3dx2 s THR 657 N -2.83 1.88 0.82 1.26 -4.23 -1.26 -5.14 115.64 106.15 3dx2 s THR 657 Ca 0.60 -2.20 -0.13 0.00 -1.18 0.00 0.00 61.69 58.78 3dx2 s THR 657 Cb -0.14 -2.35 0.09 0.00 1.34 0.00 0.00 72.50 71.44 3dx2 s THR 657 CO 0.47 -0.37 1.19 -0.94 -0.54 0.00 0.00 174.62 174.43 3dx2 s SER 658 N -3.45 3.52 -0.40 3.99 1.04 -1.26 -5.02 113.70 112.12 3dx2 s SER 658 Ca 0.28 2.32 0.03 0.00 0.48 0.00 0.00 55.95 59.06 3dx2 s SER 658 Cb 0.01 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.71 3dx2 s SER 658 CO 0.12 -2.71 0.30 -0.76 0.98 0.00 0.00 173.24 171.17 3dx2 s LEU 659 N -5.85 1.41 0.50 2.42 1.43 -1.26 -5.11 118.68 112.22 3dx2 s LEU 659 Ca 0.72 -2.81 -0.21 0.00 -1.03 0.00 0.00 54.13 50.80 3dx2 s LEU 659 Cb -0.27 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 3dx2 s LEU 659 CO 0.52 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.82 3dx2 s PRO 660 N 0.33 3.63 -0.31 1.29 0.04 -1.26 -4.56 135.00 134.16 3dx2 s PRO 660 Ca 0.28 1.55 0.13 0.00 0.04 0.00 0.00 61.00 63.00 3dx2 s PRO 660 Cb -0.05 -2.14 0.47 0.00 0.04 0.00 0.00 34.50 32.81 3dx2 s PRO 660 CO -0.13 -0.60 1.12 1.28 0.04 0.00 0.00 177.00 178.70 3dx2 n LEU 661 N -0.96 3.30 0.00 -3.56 4.77 -1.26 -4.75 117.00 114.54 3dx2 n LEU 661 Ca 0.10 -4.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.96 3dx2 n LEU 661 Cb 0.51 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3dx2 n LEU 661 CO 0.42 1.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 3dx2 n GLY 662 N -0.55 3.39 0.02 -0.72 0.00 -1.26 -1.01 105.19 105.06 3dx2 n GLY 662 Ca 0.26 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.50 3dx2 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dx2 n GLN 663 N 14.00 0.51 -1.67 1.61 6.02 -1.26 -4.94 117.38 131.65 3dx2 n GLN 663 Ca 0.00 -0.03 -0.50 0.00 -0.01 0.00 0.00 57.00 56.45 3dx2 n GLN 663 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 3dx2 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3dx2 n TYR 664 N -1.21 2.10 0.55 1.08 9.36 -0.18 -4.86 117.16 124.01 3dx2 n TYR 664 Ca 0.15 0.30 0.09 0.00 3.32 0.00 0.00 57.90 61.76 3dx2 n TYR 664 Cb 0.24 -2.53 0.39 0.00 -0.63 0.00 0.00 39.34 36.81 3dx2 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dx2 n PRO 665 N 4.75 0.05 -4.46 2.98 -0.04 -1.26 -4.72 135.00 132.29 3dx2 n PRO 665 Ca 0.21 0.25 -0.34 0.00 -0.04 0.00 0.00 63.50 63.59 3dx2 n PRO 665 Cb 0.24 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 3dx2 n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dx2 s GLU 666 N -3.07 3.36 0.23 0.54 2.56 -1.26 -5.10 118.70 115.96 3dx2 s GLU 666 Ca 0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 3dx2 s GLU 666 Cb 0.11 -2.74 -0.09 0.00 2.00 0.00 0.00 34.13 33.41 3dx2 s GLU 666 CO 0.34 0.06 1.19 -0.51 -0.56 0.00 0.00 175.26 175.78 3dx2 s ASP 667 N 0.75 7.09 0.35 -1.70 1.01 -1.26 -4.95 116.67 117.95 3dx2 s ASP 667 Ca -0.05 2.31 -0.28 0.00 0.71 0.00 0.00 52.55 55.24 3dx2 s ASP 667 Cb -0.15 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.06 3dx2 s ASP 667 CO 0.01 -0.34 1.37 -0.69 0.21 0.00 0.00 175.17 175.74 3dx2 s VAL 668 N -0.48 2.48 0.20 -1.27 1.01 -1.26 -4.72 120.40 116.36 3dx2 s VAL 668 Ca 0.50 0.48 0.06 0.00 0.00 0.00 0.00 61.98 63.02 3dx2 s VAL 668 Cb -0.34 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3dx2 s VAL 668 CO 0.40 0.11 0.18 -0.54 0.00 0.00 0.00 175.10 175.26 3dx2 s LYS 669 N -1.89 2.98 0.12 2.72 -0.14 0.02 -4.97 119.74 118.58 3dx2 s LYS 669 Ca 0.50 -0.92 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 3dx2 s LYS 669 Cb -0.42 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 3dx2 s LYS 669 CO 0.57 0.45 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.40 3dx2 s PHE 670 N -1.92 1.42 0.06 3.18 0.08 -1.26 -0.64 117.98 118.90 3dx2 s PHE 670 Ca 0.32 -0.56 -0.27 0.00 0.12 0.00 0.00 56.93 56.55 3dx2 s PHE 670 Cb -0.09 -0.74 0.09 0.00 -0.57 0.00 0.00 43.02 41.71 3dx2 s PHE 670 CO 0.25 0.15 0.85 0.20 -0.10 0.00 0.00 175.22 176.57 3dx2 s GLY 671 N -2.48 -0.43 0.62 4.36 0.00 -0.75 -4.92 107.32 103.72 3dx2 s GLY 671 Ca 0.09 0.70 -0.16 0.00 0.00 0.00 0.00 44.72 45.35 3dx2 s GLY 671 CO 0.03 0.22 1.11 0.99 0.00 0.00 0.00 173.10 175.45 3dx2 s ASP 672 N -2.64 5.37 0.27 1.64 1.01 -1.26 -0.99 116.67 120.06 3dx2 s ASP 672 Ca 0.06 2.04 -0.29 0.00 0.71 0.00 0.00 52.55 55.06 3dx2 s ASP 672 Cb -0.01 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.22 3dx2 s ASP 672 CO -0.07 -1.45 1.12 -2.65 0.21 0.00 0.00 175.17 172.33 3dx2 n PRO 673 N -2.02 1.50 -3.44 8.23 -0.02 -1.26 -4.67 135.00 133.31 3dx2 n PRO 673 Ca 0.11 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3dx2 n PRO 673 Cb 0.52 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3dx2 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3dx2 s ARG 674 N -1.22 1.25 0.45 -0.52 1.70 -1.26 -4.99 118.95 114.37 3dx2 s ARG 674 Ca 0.62 -0.40 -0.24 0.00 -0.47 0.00 0.00 55.73 55.24 3dx2 s ARG 674 Cb -0.71 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.17 3dx2 s ARG 674 CO 0.57 -0.53 1.29 -1.21 -1.08 0.00 0.00 175.30 174.34 3dx2 s GLU 675 N -3.49 3.72 0.06 3.89 2.02 -1.26 -4.17 118.70 119.47 3dx2 s GLU 675 Ca -0.00 2.10 -0.02 0.00 0.02 0.00 0.00 54.97 57.07 3dx2 s GLU 675 Cb -0.01 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 3dx2 s GLU 675 CO -0.11 -0.68 0.01 0.96 0.02 0.00 0.00 175.26 175.46 3dx2 s ILE 676 N -1.33 0.20 0.01 -1.63 -5.25 -0.94 -4.98 121.20 107.27 3dx2 s ILE 676 Ca 0.62 -1.75 0.03 0.00 -0.99 0.00 0.00 60.65 58.56 3dx2 s ILE 676 Cb -0.37 -1.57 -0.01 0.00 2.95 0.00 0.00 42.46 43.46 3dx2 s ILE 676 CO 0.46 -0.89 -0.10 -0.55 -1.79 0.00 0.00 174.94 172.06 3dx2 s SER 677 N -2.93 1.20 0.03 4.36 0.15 -1.26 -0.50 113.70 114.74 3dx2 s SER 677 Ca 0.09 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.49 3dx2 s SER 677 Cb 0.08 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3dx2 s SER 677 CO -0.09 0.07 -0.05 -0.76 1.20 0.00 0.00 173.24 173.61 3dx2 s LEU 678 N -0.54 2.22 -0.08 3.45 1.43 -0.25 -4.98 118.68 119.92 3dx2 s LEU 678 Ca 0.02 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3dx2 s LEU 678 Cb -0.05 -0.07 0.05 0.00 0.03 0.00 0.00 46.19 46.15 3dx2 s LEU 678 CO 0.00 -0.21 0.16 -0.60 0.23 0.00 0.00 176.35 175.94 3dx2 s ARG 679 N -1.34 0.05 -0.16 1.70 3.52 -1.26 -1.04 118.95 120.41 3dx2 s ARG 679 Ca -0.11 0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 55.96 3dx2 s ARG 679 Cb -0.09 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.01 3dx2 s ARG 679 CO -0.00 -0.28 0.09 0.08 -0.81 0.00 0.00 175.30 174.38 3dx2 s VAL 680 N 2.11 5.08 0.00 7.11 1.01 -1.26 -5.00 120.40 129.45 3dx2 s VAL 680 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3dx2 s VAL 680 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3dx2 s VAL 680 CO -0.06 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3dx2 n GLY 681 N 2.97 3.15 1.50 4.51 0.00 -1.26 -1.51 105.19 114.54 3dx2 n GLY 681 Ca -0.18 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3dx2 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dx2 n ASN 682 N 2.39 4.54 -2.34 1.61 3.02 -1.26 -4.99 115.26 118.22 3dx2 n ASN 682 Ca 0.00 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 3dx2 n ASN 682 Cb 0.00 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 3dx2 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dx2 n GLY 683 N 1.18 -0.85 3.76 7.41 0.00 -0.57 -4.96 105.19 111.17 3dx2 n GLY 683 Ca 0.25 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 3dx2 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dx2 s PRO 684 N -1.72 2.07 -0.22 1.61 0.04 -1.26 -4.78 135.00 130.74 3dx2 s PRO 684 Ca 0.00 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 3dx2 s PRO 684 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3dx2 s PRO 684 CO 0.00 -1.72 0.09 0.99 0.04 0.00 0.00 177.00 176.40 3dx2 s THR 685 N -2.95 4.74 -0.10 1.26 2.01 -0.10 -4.22 115.64 116.28 3dx2 s THR 685 Ca 0.61 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3dx2 s THR 685 Cb -0.17 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3dx2 s THR 685 CO 0.56 0.38 -0.10 -0.76 -0.69 0.00 0.00 174.62 174.01 3dx2 s LEU 686 N 1.05 2.96 -0.04 4.42 1.43 -0.21 -0.46 118.68 127.83 3dx2 s LEU 686 Ca 0.05 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3dx2 s LEU 686 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3dx2 s LEU 686 CO 0.03 0.26 -0.10 0.00 0.23 0.00 0.00 176.35 176.77 3dx2 s ALA 687 N -0.18 2.87 0.07 4.21 0.00 -0.26 -1.09 121.76 127.37 3dx2 s ALA 687 Ca 0.01 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.09 3dx2 s ALA 687 Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3dx2 s ALA 687 CO 0.03 0.58 -0.23 -0.06 0.00 0.00 0.00 175.76 176.08 3dx2 s PHE 688 N -0.83 1.97 1.02 0.00 0.40 0.34 -0.11 117.98 120.77 3dx2 s PHE 688 Ca 0.13 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 3dx2 s PHE 688 Cb -0.11 -1.14 0.20 0.00 0.51 0.00 0.00 43.02 42.48 3dx2 s PHE 688 CO 0.03 0.15 1.09 -1.54 0.70 0.00 0.00 175.22 175.65 3dx2 s SER 689 N -1.43 2.47 0.09 1.36 1.04 0.33 -2.22 113.70 115.34 3dx2 s SER 689 Ca 0.09 1.15 0.15 0.00 0.48 0.00 0.00 55.95 57.83 3dx2 s SER 689 Cb -0.09 -1.82 0.67 0.00 0.10 0.00 0.00 66.02 64.88 3dx2 s SER 689 CO 0.03 -3.22 1.48 -1.84 0.98 0.00 0.00 173.24 170.67 3dx2 n GLU 690 N -4.23 0.06 -0.23 4.02 0.28 -1.26 -1.14 120.64 118.15 3dx2 n GLU 690 Ca 0.05 0.36 0.08 0.00 -0.16 0.00 0.00 57.16 57.49 3dx2 n GLU 690 Cb 0.57 -1.63 0.23 0.00 1.43 0.00 0.00 31.44 32.04 3dx2 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3dx2 n GLN 691 N -1.76 2.13 -1.03 3.44 3.00 -1.26 -4.41 117.38 117.49 3dx2 n GLN 691 Ca 0.02 -1.74 0.00 0.00 -0.01 0.00 0.00 57.00 55.27 3dx2 n GLN 691 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.00 3dx2 n GLN 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dx2 n GLY 692 N 1.29 0.38 3.60 1.08 0.00 -0.29 -4.89 105.19 106.36 3dx2 n GLY 692 Ca 0.17 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 3dx2 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx2 s LEU 693 N 0.00 3.23 0.30 0.99 1.43 -1.26 -4.72 118.68 118.65 3dx2 s LEU 693 Ca 0.00 -0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 3dx2 s LEU 693 Cb 0.00 -1.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.36 3dx2 s LEU 693 CO 0.00 0.36 1.16 -0.11 0.23 0.00 0.00 176.35 177.98 3dx2 n LEU 694 N 2.14 2.57 0.00 1.79 7.94 -1.26 -0.51 117.00 129.66 3dx2 n LEU 694 Ca -0.18 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3dx2 n LEU 694 Cb 0.53 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3dx2 n LEU 694 CO 0.27 -0.97 -0.47 0.29 -1.11 0.00 0.00 177.39 175.41 3dx2 n LYS 695 N 0.81 3.31 -3.45 1.96 5.02 0.84 -1.98 118.16 124.68 3dx2 n LYS 695 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3dx2 n LYS 695 Cb 0.33 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 3dx2 n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dx2 s SER 696 N -2.98 -0.56 -0.06 4.39 1.04 -1.08 -1.30 113.70 113.16 3dx2 s SER 696 Ca 0.00 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3dx2 s SER 696 Cb 0.00 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3dx2 s SER 696 CO 0.00 -0.92 -0.09 -0.63 0.98 0.00 0.00 173.24 172.58 3dx2 s ILE 697 N -3.45 0.95 -0.27 -1.02 1.01 -0.56 -1.11 121.20 116.75 3dx2 s ILE 697 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3dx2 s ILE 697 Cb -0.01 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3dx2 s ILE 697 CO -0.10 0.32 -0.02 -1.58 0.00 0.00 0.00 174.94 173.56 3dx2 s GLN 698 N 0.86 2.76 0.16 2.79 0.74 0.39 -0.40 119.66 126.96 3dx2 s GLN 698 Ca -0.11 -1.04 -0.11 0.00 0.05 0.00 0.00 55.36 54.14 3dx2 s GLN 698 Cb -0.15 -3.11 0.03 0.00 1.10 0.00 0.00 33.01 30.88 3dx2 s GLN 698 CO 0.01 -0.47 1.60 -0.07 -0.55 0.00 0.00 175.29 175.81 3dx2 h LEU 699 N 8.05 0.92 -8.48 3.68 3.38 -1.86 -0.25 115.31 120.75 3dx2 h LEU 699 Ca -0.29 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.14 3dx2 h LEU 699 Cb 1.10 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 3dx2 h LEU 699 CO 0.57 1.02 -0.67 0.42 0.09 0.00 0.00 178.44 179.87 3dx2 s THR 700 N -4.97 0.41 0.30 0.22 -4.23 -1.26 -4.18 115.64 101.94 3dx2 s THR 700 Ca -0.12 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.51 3dx2 s THR 700 Cb 0.12 -1.93 0.32 0.00 1.34 0.00 0.00 72.50 72.35 3dx2 s THR 700 CO 0.84 -0.62 1.64 1.56 -0.54 0.00 0.00 174.62 177.50 3dx2 h GLN 701 N 2.87 0.20 0.00 3.99 1.08 -1.93 -1.70 115.11 119.62 3dx2 h GLN 701 Ca -0.35 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 3dx2 h GLN 701 Cb 1.19 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3dx2 h GLN 701 CO 0.62 0.13 -0.88 -0.40 -0.95 0.00 0.00 178.83 177.35 3dx2 n ASP 702 N -5.22 0.64 -4.84 1.46 5.68 -1.26 -4.98 116.55 108.04 3dx2 n ASP 702 Ca 0.24 -0.31 -0.30 0.00 -0.50 0.00 0.00 54.79 53.92 3dx2 n ASP 702 Cb 0.75 0.67 0.07 0.00 -1.14 0.00 0.00 41.12 41.47 3dx2 n ASP 702 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dx2 s SER 703 N -3.61 4.90 0.61 -1.12 1.04 -0.64 -5.03 113.70 109.85 3dx2 s SER 703 Ca 0.06 1.21 -0.18 0.00 0.48 0.00 0.00 55.95 57.52 3dx2 s SER 703 Cb 0.15 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 3dx2 s SER 703 CO 0.78 -1.70 1.15 -2.84 0.98 0.00 0.00 173.24 171.62 3dx2 s PRO 704 N -5.26 2.96 -0.64 4.02 0.02 -1.26 -4.80 135.00 130.04 3dx2 s PRO 704 Ca 0.60 1.62 -0.27 0.00 0.02 0.00 0.00 61.00 62.97 3dx2 s PRO 704 Cb -0.13 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.48 3dx2 s PRO 704 CO 0.53 -1.16 1.16 -1.01 -0.33 0.00 0.00 177.00 176.18 3dx2 s HIS 705 N -1.91 2.53 -0.17 6.54 3.76 -1.26 -4.30 115.29 120.49 3dx2 s HIS 705 Ca 0.72 0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 55.45 3dx2 s HIS 705 Cb -0.25 -4.46 -0.01 0.00 1.11 0.00 0.00 32.58 28.97 3dx2 s HIS 705 CO 0.35 -1.73 0.92 0.08 -0.85 0.00 0.00 174.74 173.51 3dx2 s VAL 706 N 4.97 4.81 0.08 -0.90 1.01 0.47 -4.80 120.40 126.04 3dx2 s VAL 706 Ca 0.36 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 3dx2 s VAL 706 Cb -0.09 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 3dx2 s VAL 706 CO 0.19 -0.03 1.82 -2.84 0.00 0.00 0.00 175.10 174.24 3dx2 s PRO 707 N 2.35 4.15 -0.24 2.72 0.02 -1.26 -1.50 135.00 141.24 3dx2 s PRO 707 Ca 0.42 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.94 3dx2 s PRO 707 Cb -0.17 -3.75 0.12 0.00 0.02 0.00 0.00 34.50 30.72 3dx2 s PRO 707 CO 0.12 -0.85 0.28 0.08 -0.33 0.00 0.00 177.00 176.30 3dx2 s VAL 708 N 3.20 -0.40 -0.15 3.83 1.01 -0.42 -4.14 120.40 123.32 3dx2 s VAL 708 Ca 0.81 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.55 3dx2 s VAL 708 Cb -0.43 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3dx2 s VAL 708 CO 0.36 -0.29 -0.18 -2.28 0.00 0.00 0.00 175.10 172.71 3dx2 s HIS 709 N 2.38 2.74 0.15 5.22 5.04 -0.18 -2.91 115.29 127.73 3dx2 s HIS 709 Ca 0.09 -1.16 -0.24 0.00 -1.54 0.00 0.00 55.06 52.21 3dx2 s HIS 709 Cb -0.15 -1.86 -0.08 0.00 0.04 0.00 0.00 32.58 30.53 3dx2 s HIS 709 CO -0.21 -0.53 0.73 -0.06 -2.34 0.00 0.00 174.74 172.34 3dx2 s PHE 710 N 0.82 3.89 -0.04 3.88 0.08 -0.84 -0.63 117.98 125.14 3dx2 s PHE 710 Ca -0.06 1.56 -0.07 0.00 0.12 0.00 0.00 56.93 58.48 3dx2 s PHE 710 Cb -0.15 -2.71 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 3dx2 s PHE 710 CO -0.01 0.53 0.17 0.21 -0.10 0.00 0.00 175.22 176.02 3dx2 s LYS 711 N -1.13 0.33 -0.14 0.44 2.20 0.13 -4.75 119.74 116.82 3dx2 s LYS 711 Ca 0.34 -0.00 -0.03 0.00 -0.36 0.00 0.00 55.97 55.92 3dx2 s LYS 711 Cb -0.22 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3dx2 s LYS 711 CO 0.25 -0.06 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.06 3dx2 s PHE 712 N -0.50 3.00 0.33 4.03 0.40 -1.26 -0.31 117.98 123.67 3dx2 s PHE 712 Ca -0.06 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3dx2 s PHE 712 Cb -0.04 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 3dx2 s PHE 712 CO 0.01 -0.00 0.08 -0.51 0.70 0.00 0.00 175.22 175.50 3dx2 s LEU 713 N 0.20 2.02 -0.01 -0.37 1.02 -0.44 -1.27 118.68 119.83 3dx2 s LEU 713 Ca -0.03 -1.45 0.03 0.00 0.02 0.00 0.00 54.13 52.70 3dx2 s LEU 713 Cb -0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 46.19 45.84 3dx2 s LEU 713 CO 0.03 -0.71 -0.10 -1.59 0.02 0.00 0.00 176.35 174.00 3dx2 s LYS 714 N -3.88 0.87 0.10 1.70 -2.85 0.61 -1.02 119.74 115.28 3dx2 s LYS 714 Ca 0.34 -0.35 -0.02 0.00 -1.00 0.00 0.00 55.97 54.94 3dx2 s LYS 714 Cb 0.07 -0.83 -0.05 0.00 -2.06 0.00 0.00 37.83 34.96 3dx2 s LYS 714 CO 0.15 0.19 0.29 0.71 0.10 0.00 0.00 175.35 176.79 3dx2 s TYR 715 N -0.11 3.50 0.00 1.78 2.02 0.27 -0.45 117.35 124.36 3dx2 s TYR 715 Ca 0.02 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 3dx2 s TYR 715 Cb -0.05 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 3dx2 s TYR 715 CO -0.00 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 3dx2 n GLY 716 N 0.12 5.49 3.25 0.71 0.00 -1.26 -0.90 105.19 112.60 3dx2 n GLY 716 Ca -0.04 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 3dx2 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx2 s VAL 717 N 1.08 1.51 0.25 1.61 1.01 -1.25 -3.29 120.40 121.32 3dx2 s VAL 717 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 3dx2 s VAL 717 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3dx2 s VAL 717 CO 0.00 -0.18 1.18 -0.13 0.00 0.00 0.00 175.10 175.97 3dx2 s ARG 718 N -2.06 4.52 0.10 2.72 0.52 -1.25 -4.61 118.95 118.90 3dx2 s ARG 718 Ca 0.05 1.92 0.12 0.00 -0.52 0.00 0.00 55.73 57.30 3dx2 s ARG 718 Cb -0.09 -3.18 -0.14 0.00 0.52 0.00 0.00 34.95 32.06 3dx2 s ARG 718 CO 0.04 0.01 1.08 0.66 0.02 0.00 0.00 175.30 177.11 3dx2 h SER 719 N 4.28 0.00 -3.16 0.23 4.64 -1.97 -3.45 113.55 114.11 3dx2 h SER 719 Ca -0.46 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.18 3dx2 h SER 719 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 3dx2 h SER 719 CO 0.70 0.81 -0.59 -1.38 -0.87 0.00 0.00 176.83 175.49 3dx2 s HIS 720 N -2.78 3.26 0.00 4.77 0.00 -1.26 -5.04 115.29 114.24 3dx2 s HIS 720 Ca -0.00 0.25 0.00 0.00 -3.00 0.00 0.00 55.06 52.30 3dx2 s HIS 720 Cb 0.09 -1.80 0.00 0.00 -4.00 0.00 0.00 32.58 26.87 3dx2 s HIS 720 CO 0.80 0.53 0.00 0.41 -1.00 0.00 0.00 174.74 175.49 3dx2 n GLY 721 N 1.87 0.45 3.74 -1.38 0.00 -1.26 -4.87 105.19 103.74 3dx2 n GLY 721 Ca -0.17 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 3dx2 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dx2 s ASP 722 N -4.00 7.32 -0.11 1.61 1.01 -1.26 -4.96 116.67 116.28 3dx2 s ASP 722 Ca 0.00 2.11 -0.09 0.00 0.71 0.00 0.00 52.55 55.28 3dx2 s ASP 722 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3dx2 s ASP 722 CO 0.00 -0.15 0.20 -0.13 0.21 0.00 0.00 175.17 175.30 3dx2 s ARG 723 N -0.73 3.70 0.55 8.23 1.81 -1.26 -4.55 118.95 126.70 3dx2 s ARG 723 Ca 0.47 -0.02 -0.20 0.00 -1.72 0.00 0.00 55.73 54.25 3dx2 s ARG 723 Cb -0.29 -3.25 -0.06 0.00 -0.45 0.00 0.00 34.95 30.90 3dx2 s ARG 723 CO 0.36 0.65 1.05 0.43 -0.68 0.00 0.00 175.30 177.11 3dx2 n SER 724 N 2.31 1.23 0.00 0.23 7.64 -1.26 -4.50 113.62 119.27 3dx2 n SER 724 Ca -0.18 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3dx2 n SER 724 Cb 0.54 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3dx2 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dx2 n GLY 725 N 1.17 3.70 0.26 0.23 0.00 -0.80 -4.54 105.19 105.21 3dx2 n GLY 725 Ca 0.12 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.28 3dx2 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx2 h ALA 726 N 1.71 1.77 0.00 4.61 0.00 -1.85 -3.20 119.26 122.30 3dx2 h ALA 726 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3dx2 h ALA 726 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3dx2 h ALA 726 CO 0.00 0.18 -1.43 0.66 0.00 0.00 0.00 179.25 178.66 3dx2 n TYR 727 N -4.43 0.89 -3.56 0.00 4.02 -1.26 -2.82 117.16 109.99 3dx2 n TYR 727 Ca -0.01 0.38 -0.38 0.00 -0.01 0.00 0.00 57.90 57.89 3dx2 n TYR 727 Cb 0.14 -1.09 -0.06 0.00 -0.02 0.00 0.00 39.34 38.32 3dx2 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dx2 s LEU 728 N -7.82 4.46 -0.33 7.72 1.43 -1.21 -0.97 118.68 121.96 3dx2 s LEU 728 Ca -0.30 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 53.62 3dx2 s LEU 728 Cb 0.07 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.83 3dx2 s LEU 728 CO 0.58 0.33 0.09 0.12 0.23 0.00 0.00 176.35 177.70 3dx2 s PHE 729 N -1.03 3.25 -0.55 0.29 5.36 -1.12 -1.91 117.98 122.26 3dx2 s PHE 729 Ca 0.22 -1.45 0.06 0.00 -0.96 0.00 0.00 56.93 54.80 3dx2 s PHE 729 Cb -0.16 -2.25 0.22 0.00 -0.34 0.00 0.00 43.02 40.49 3dx2 s PHE 729 CO 0.12 -0.73 0.55 1.28 -1.46 0.00 0.00 175.22 174.98 3dx2 n LEU 730 N 4.79 1.88 -4.76 6.12 4.77 -1.26 -4.65 117.00 123.88 3dx2 n LEU 730 Ca -0.13 -5.00 -0.34 0.00 -0.03 0.00 0.00 56.01 50.51 3dx2 n LEU 730 Cb 0.45 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3dx2 n LEU 730 CO 0.31 1.95 0.78 -2.16 -1.33 0.00 0.00 177.39 176.94 3dx2 s PRO 731 N -1.43 2.90 -1.02 3.23 0.04 -1.26 -3.96 135.00 133.50 3dx2 s PRO 731 Ca 0.34 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 3dx2 s PRO 731 Cb 0.09 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.78 3dx2 s PRO 731 CO -0.11 -1.21 2.53 0.27 0.04 0.00 0.00 177.00 178.52 3dx2 n ASN 732 N -1.97 7.50 0.00 6.66 6.94 -1.21 -4.77 115.26 128.41 3dx2 n ASN 732 Ca 0.12 -3.16 0.00 0.00 -0.02 0.00 0.00 54.58 51.52 3dx2 n ASN 732 Cb 0.51 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 3dx2 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dx2 n GLY 733 N 1.45 0.80 3.57 4.83 0.00 -1.26 -4.85 105.19 109.73 3dx2 n GLY 733 Ca 0.58 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3dx2 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dx2 n PRO 734 N 0.79 0.14 -2.08 1.61 -0.02 -1.26 -4.80 135.00 129.38 3dx2 n PRO 734 Ca 0.00 0.11 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 3dx2 n PRO 734 Cb 0.00 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 3dx2 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dx2 s ALA 735 N -2.10 2.59 -0.02 3.55 0.00 -1.26 -4.92 121.76 119.60 3dx2 s ALA 735 Ca 0.68 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.57 3dx2 s ALA 735 Cb -0.30 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3dx2 s ALA 735 CO 0.56 -1.04 -0.01 -1.12 0.00 0.00 0.00 175.76 174.15 3dx2 s SER 736 N -1.71 5.06 0.34 0.00 0.01 0.40 -4.84 113.70 112.96 3dx2 s SER 736 Ca 0.75 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 57.73 3dx2 s SER 736 Cb -0.27 -1.33 -0.11 0.00 0.21 0.00 0.00 66.02 64.52 3dx2 s SER 736 CO 0.31 0.31 1.51 -2.84 0.41 0.00 0.00 173.24 172.95 3dx2 s PRO 737 N -1.34 4.13 0.16 12.44 0.02 -1.26 -0.28 135.00 148.87 3dx2 s PRO 737 Ca 0.17 2.55 -0.32 0.00 0.02 0.00 0.00 61.00 63.43 3dx2 s PRO 737 Cb -0.11 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.31 3dx2 s PRO 737 CO 0.08 -0.55 1.57 0.08 -0.33 0.00 0.00 177.00 177.85 3dx2 s VAL 738 N -0.68 2.65 -0.20 3.83 1.01 -0.40 -4.77 120.40 121.84 3dx2 s VAL 738 Ca 0.57 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 3dx2 s VAL 738 Cb -0.46 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3dx2 s VAL 738 CO 0.57 0.03 1.27 -1.61 0.00 0.00 0.00 175.10 175.36 3dx2 s GLU 739 N 1.22 4.15 0.17 2.72 2.02 -1.26 -4.90 118.70 122.82 3dx2 s GLU 739 Ca 0.70 1.56 0.23 0.00 0.02 0.00 0.00 54.97 57.47 3dx2 s GLU 739 Cb -0.43 -3.79 -0.00 0.00 0.10 0.00 0.00 34.13 30.00 3dx2 s GLU 739 CO 0.31 -0.81 1.02 1.28 0.02 0.00 0.00 175.26 177.08 3dx2 n LEU 740 N 6.87 0.76 0.00 1.80 4.77 -1.26 -4.77 117.00 125.17 3dx2 n LEU 740 Ca 0.14 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3dx2 n LEU 740 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3dx2 n LEU 740 CO 0.58 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3dx2 n GLY 741 N 1.21 2.79 2.81 -0.72 0.00 -1.26 -3.79 105.19 106.23 3dx2 n GLY 741 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3dx2 n GLY 741 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dx2 n GLN 742 N 13.70 1.94 -1.75 1.61 7.27 -1.26 -5.08 117.38 133.81 3dx2 n GLN 742 Ca 0.00 -4.51 -0.32 0.00 0.07 0.00 0.00 57.00 52.24 3dx2 n GLN 742 Cb 0.00 -2.28 0.04 0.00 2.41 0.00 0.00 30.24 30.41 3dx2 n GLN 742 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3dx2 s PRO 743 N -1.64 2.97 -0.03 3.69 0.04 -1.25 -4.93 135.00 133.86 3dx2 s PRO 743 Ca 0.28 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 3dx2 s PRO 743 Cb -0.01 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3dx2 s PRO 743 CO -0.14 -1.08 0.91 0.08 0.04 0.00 0.00 177.00 176.80 3dx2 s VAL 744 N -2.66 4.91 -0.11 -0.36 1.01 -1.26 -4.83 120.40 117.10 3dx2 s VAL 744 Ca 0.62 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.53 3dx2 s VAL 744 Cb -0.16 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 3dx2 s VAL 744 CO 0.45 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 3dx2 s VAL 745 N 1.04 2.30 -0.18 2.92 1.01 -0.66 -2.40 120.40 124.42 3dx2 s VAL 745 Ca 0.48 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3dx2 s VAL 745 Cb -0.20 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3dx2 s VAL 745 CO 0.25 0.55 -0.10 -0.22 0.00 0.00 0.00 175.10 175.57 3dx2 s LEU 746 N 0.35 2.67 -0.19 3.92 2.96 0.70 0.11 118.68 129.19 3dx2 s LEU 746 Ca -0.17 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 3dx2 s LEU 746 Cb -0.17 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3dx2 s LEU 746 CO 0.08 0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 3dx2 s VAL 747 N 1.09 3.14 -0.16 1.68 1.01 0.60 -0.74 120.40 127.02 3dx2 s VAL 747 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3dx2 s VAL 747 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3dx2 s VAL 747 CO -0.03 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.52 3dx2 s THR 748 N 1.14 2.86 -0.19 3.92 2.01 0.11 -0.40 115.64 125.09 3dx2 s THR 748 Ca 0.01 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.32 3dx2 s THR 748 Cb -0.14 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.16 3dx2 s THR 748 CO -0.02 0.51 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.49 3dx2 s LYS 749 N 0.79 2.96 0.17 4.92 2.20 -0.10 -0.37 119.74 130.31 3dx2 s LYS 749 Ca -0.05 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3dx2 s LYS 749 Cb -0.15 -2.65 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3dx2 s LYS 749 CO 0.01 -0.25 -0.01 0.20 -0.36 0.00 0.00 175.35 174.94 3dx2 s GLY 750 N 1.29 1.20 0.25 5.54 0.00 -1.02 -0.75 107.32 113.84 3dx2 s GLY 750 Ca 0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 3dx2 s GLY 750 CO -0.11 -1.54 1.69 1.70 0.00 0.00 0.00 173.10 174.84 3dx2 h LYS 751 N 2.70 0.65 0.00 2.90 3.64 -1.96 -3.31 116.57 121.19 3dx2 h LYS 751 Ca -0.37 -0.24 -0.37 0.00 -1.27 0.00 0.00 60.65 58.41 3dx2 h LYS 751 Cb 1.20 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 3dx2 h LYS 751 CO 0.63 0.80 -2.35 1.28 -2.27 0.00 0.00 179.45 177.54 3dx2 n LEU 752 N -4.14 0.26 -3.69 5.20 4.77 -1.26 -4.49 117.00 113.65 3dx2 n LEU 752 Ca 0.00 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3dx2 n LEU 752 Cb 0.40 0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.76 3dx2 n LEU 752 CO 0.43 0.52 0.07 -0.70 -1.33 0.00 0.00 177.39 176.39 3dx2 s GLU 753 N -2.50 0.41 0.24 3.23 2.12 -1.25 -4.50 118.70 116.46 3dx2 s GLU 753 Ca -0.11 0.82 0.08 0.00 0.36 0.00 0.00 54.97 56.12 3dx2 s GLU 753 Cb 0.06 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 3dx2 s GLU 753 CO 0.81 -0.16 -0.13 -1.12 -0.54 0.00 0.00 175.26 174.13 3dx2 s SER 754 N 1.41 2.85 0.07 -1.70 0.01 -0.42 -2.42 113.70 113.50 3dx2 s SER 754 Ca -0.10 -1.08 -0.26 0.00 1.31 0.00 0.00 55.95 55.83 3dx2 s SER 754 Cb -0.08 -0.18 0.07 0.00 0.21 0.00 0.00 66.02 66.04 3dx2 s SER 754 CO -0.13 -0.19 0.62 -0.94 0.41 0.00 0.00 173.24 173.01 3dx2 s SER 755 N -3.40 -0.59 -0.11 2.44 1.04 0.50 -0.51 113.70 113.07 3dx2 s SER 755 Ca 0.26 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.99 3dx2 s SER 755 Cb -0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3dx2 s SER 755 CO 0.10 -0.81 -0.18 -0.69 0.98 0.00 0.00 173.24 172.64 3dx2 s VAL 756 N -2.68 1.71 -0.02 5.02 1.01 -0.30 -0.71 120.40 124.43 3dx2 s VAL 756 Ca -0.04 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3dx2 s VAL 756 Cb -0.01 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3dx2 s VAL 756 CO -0.03 0.48 -0.18 -0.44 0.00 0.00 0.00 175.10 174.92 3dx2 s SER 757 N 0.85 2.16 -0.01 3.32 0.01 0.08 -0.75 113.70 119.35 3dx2 s SER 757 Ca -0.08 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3dx2 s SER 757 Cb -0.15 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.81 3dx2 s SER 757 CO -0.00 0.22 -0.03 0.54 0.41 0.00 0.00 173.24 174.38 3dx2 s VAL 758 N -0.39 0.31 -0.81 3.43 0.11 0.22 -0.22 120.40 123.04 3dx2 s VAL 758 Ca 0.06 -0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 58.80 3dx2 s VAL 758 Cb -0.07 -0.30 0.10 0.00 -1.53 0.00 0.00 36.38 34.58 3dx2 s VAL 758 CO -0.00 0.12 1.07 -0.83 -3.33 0.00 0.00 175.10 172.12 3dx2 s GLY 759 N 0.25 1.66 0.36 6.54 0.00 -1.01 -1.13 107.32 113.99 3dx2 s GLY 759 Ca -0.02 -2.34 0.02 0.00 0.00 0.00 0.00 44.72 42.37 3dx2 s GLY 759 CO -0.00 2.06 0.55 1.08 0.00 0.00 0.00 173.10 176.78 3dx2 s LEU 760 N 3.39 3.95 0.05 0.66 1.43 0.04 -4.39 118.68 123.81 3dx2 s LEU 760 Ca 0.28 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 3dx2 s LEU 760 Cb -0.10 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 3dx2 s LEU 760 CO -0.01 -0.39 1.97 -2.65 0.23 0.00 0.00 176.35 175.49 3dx2 n PRO 761 N -1.80 2.88 -0.14 1.29 -0.02 -1.26 -1.71 135.00 134.24 3dx2 n PRO 761 Ca -0.03 1.06 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3dx2 n PRO 761 Cb 0.57 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3dx2 n PRO 761 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dx2 n SER 762 N 7.35 0.00 -3.68 2.55 7.64 -1.26 -4.97 113.62 121.26 3dx2 n SER 762 Ca 0.20 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.94 3dx2 n SER 762 Cb 0.41 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.38 3dx2 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dx2 s VAL 763 N -3.03 -0.30 -0.39 0.44 1.01 -0.70 -0.41 120.40 117.03 3dx2 s VAL 763 Ca 0.00 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 3dx2 s VAL 763 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3dx2 s VAL 763 CO 0.00 0.11 0.70 -0.69 0.00 0.00 0.00 175.10 175.23 3dx2 s VAL 764 N 2.13 4.79 -0.16 2.92 1.01 -0.11 -0.78 120.40 130.21 3dx2 s VAL 764 Ca -0.01 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 3dx2 s VAL 764 Cb -0.12 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3dx2 s VAL 764 CO -0.08 -0.48 0.03 -2.28 0.00 0.00 0.00 175.10 172.29 3dx2 s HIS 765 N 2.94 3.19 -0.03 5.22 5.04 -0.28 -0.66 115.29 130.71 3dx2 s HIS 765 Ca 0.27 -0.00 0.01 0.00 -1.54 0.00 0.00 55.06 53.80 3dx2 s HIS 765 Cb -0.14 -2.01 0.01 0.00 0.04 0.00 0.00 32.58 30.48 3dx2 s HIS 765 CO 0.18 0.15 -0.05 -1.14 -2.34 0.00 0.00 174.74 171.54 3dx2 s GLN 766 N 0.20 0.71 -0.20 2.88 0.74 0.29 -0.61 119.66 123.66 3dx2 s GLN 766 Ca 0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 55.36 55.26 3dx2 s GLN 766 Cb -0.13 -0.71 0.00 0.00 1.10 0.00 0.00 33.01 33.27 3dx2 s GLN 766 CO 0.01 0.01 -0.11 0.99 -0.55 0.00 0.00 175.29 175.64 3dx2 s THR 767 N 0.49 2.86 -0.10 -0.34 2.01 0.07 -0.87 115.64 119.77 3dx2 s THR 767 Ca -0.06 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3dx2 s THR 767 Cb -0.10 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3dx2 s THR 767 CO 0.00 0.47 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.63 3dx2 s ILE 768 N 1.36 3.02 -0.12 1.82 1.01 0.14 -1.15 121.20 127.29 3dx2 s ILE 768 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3dx2 s ILE 768 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3dx2 s ILE 768 CO -0.07 0.55 -0.20 -0.04 0.00 0.00 0.00 174.94 175.19 3dx2 s MET 769 N -0.08 2.68 -0.02 2.79 -1.94 0.34 -0.58 119.30 122.49 3dx2 s MET 769 Ca -0.02 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 3dx2 s MET 769 Cb -0.14 -2.17 0.04 0.00 2.01 0.00 0.00 34.83 34.58 3dx2 s MET 769 CO 0.04 0.01 0.93 0.54 -0.01 0.00 0.00 175.02 176.53 3dx2 n ARG 770 N 4.00 2.09 0.00 2.03 1.74 -1.26 -1.30 116.66 123.96 3dx2 n ARG 770 Ca -0.20 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 3dx2 n ARG 770 Cb 0.52 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 3dx2 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dx2 n GLY 771 N -0.53 0.74 0.00 -0.13 0.00 -1.26 -4.88 105.19 99.14 3dx2 n GLY 771 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3dx2 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx2 n GLY 772 N -1.02 5.40 3.71 -0.02 0.00 -1.26 -3.49 105.19 108.51 3dx2 n GLY 772 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 3dx2 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx2 n ALA 773 N -3.00 1.90 -1.17 4.61 0.00 -1.26 -4.54 120.51 117.04 3dx2 n ALA 773 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 3dx2 n ALA 773 Cb 0.00 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.18 3dx2 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dx2 s PRO 774 N -0.51 1.89 -0.14 0.00 0.04 -1.23 -4.77 135.00 130.29 3dx2 s PRO 774 Ca 0.65 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 3dx2 s PRO 774 Cb -0.56 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3dx2 s PRO 774 CO 0.49 -1.98 0.10 -2.00 0.04 0.00 0.00 177.00 173.65 3dx2 s GLU 775 N -4.28 3.60 -0.11 4.56 2.12 0.26 -1.65 118.70 123.21 3dx2 s GLU 775 Ca 0.70 -0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 3dx2 s GLU 775 Cb -0.25 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3dx2 s GLU 775 CO 0.50 0.59 -0.08 0.42 -0.54 0.00 0.00 175.26 176.15 3dx2 s ILE 776 N -0.50 3.54 -0.07 -3.70 -1.09 -0.18 0.25 121.20 119.45 3dx2 s ILE 776 Ca 0.11 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3dx2 s ILE 776 Cb -0.12 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.29 3dx2 s ILE 776 CO 0.02 0.55 -0.13 -0.13 -1.23 0.00 0.00 174.94 174.02 3dx2 s ARG 777 N -0.16 1.80 -0.19 2.79 0.52 -0.05 -0.67 118.95 122.99 3dx2 s ARG 777 Ca 0.01 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3dx2 s ARG 777 Cb -0.13 -1.47 0.01 0.00 0.52 0.00 0.00 34.95 33.88 3dx2 s ARG 777 CO 0.03 0.04 -0.16 -0.80 0.02 0.00 0.00 175.30 174.43 3dx2 s ASN 778 N 0.63 3.42 -0.55 0.23 0.01 -0.04 -0.55 114.94 118.09 3dx2 s ASN 778 Ca -0.15 -0.60 -0.21 0.00 -0.71 0.00 0.00 52.86 51.19 3dx2 s ASN 778 Cb -0.16 -1.54 0.06 0.00 0.41 0.00 0.00 41.25 40.02 3dx2 s ASN 778 CO 0.04 -0.01 0.76 -0.22 -1.51 0.00 0.00 177.10 176.17 3dx2 s LEU 779 N 1.33 4.72 -0.30 0.60 2.96 0.17 -0.66 118.68 127.49 3dx2 s LEU 779 Ca 0.05 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 3dx2 s LEU 779 Cb -0.13 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3dx2 s LEU 779 CO -0.11 -1.08 0.17 -0.69 -1.32 0.00 0.00 176.35 173.32 3dx2 s VAL 780 N 3.18 4.93 -0.38 1.68 1.01 0.44 -0.93 120.40 130.33 3dx2 s VAL 780 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3dx2 s VAL 780 Cb -0.18 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.88 3dx2 s VAL 780 CO 0.13 0.14 0.17 -0.62 0.00 0.00 0.00 175.10 174.92 3dx2 s ASP 781 N 1.68 3.84 0.00 3.32 2.15 0.46 -1.98 116.67 126.14 3dx2 s ASP 781 Ca 0.06 -2.18 0.21 0.00 0.43 0.00 0.00 52.55 51.07 3dx2 s ASP 781 Cb -0.17 -0.97 0.99 0.00 -0.30 0.00 0.00 42.92 42.48 3dx2 s ASP 781 CO 0.08 -0.34 1.66 0.00 -0.17 0.00 0.00 175.17 176.41 3dx2 n ILE 782 N 4.14 0.44 -0.77 4.11 3.06 -1.26 -4.32 119.36 124.75 3dx2 n ILE 782 Ca 0.04 0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 3dx2 n ILE 782 Cb 0.38 -0.76 0.00 0.00 0.54 0.00 0.00 39.64 39.80 3dx2 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3dx2 n GLY 783 N 0.54 3.35 1.74 4.50 0.00 -1.26 -1.95 105.19 112.10 3dx2 n GLY 783 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 3dx2 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dx2 n SER 784 N 3.76 4.22 -4.57 1.61 3.41 -1.26 -4.89 113.62 115.90 3dx2 n SER 784 Ca 0.00 -3.33 -0.35 0.00 -0.26 0.00 0.00 58.87 54.93 3dx2 n SER 784 Cb 0.00 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 3dx2 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dx2 s LEU 785 N -3.05 3.42 0.63 1.04 1.43 -0.82 -4.96 118.68 116.37 3dx2 s LEU 785 Ca 0.52 -1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 3dx2 s LEU 785 Cb 0.43 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3dx2 s LEU 785 CO 0.10 -2.11 1.22 -1.81 0.23 0.00 0.00 176.35 173.98 3dx2 s ASP 786 N 5.63 4.89 -1.39 2.29 1.11 -1.26 -3.43 116.67 124.52 3dx2 s ASP 786 Ca 0.60 2.41 -0.05 0.00 0.18 0.00 0.00 52.55 55.69 3dx2 s ASP 786 Cb 0.00 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.42 3dx2 s ASP 786 CO 0.06 -1.79 0.80 0.59 1.18 0.00 0.00 175.17 176.01 3dx2 n ASN 787 N -1.90 -2.49 -3.97 0.27 3.02 0.60 -4.97 115.26 105.83 3dx2 n ASN 787 Ca 0.14 -0.80 -0.18 0.00 -0.03 0.00 0.00 54.58 53.71 3dx2 n ASN 787 Cb 0.50 -4.00 -0.15 0.00 -0.61 0.00 0.00 39.78 35.51 3dx2 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dx2 s THR 788 N -3.54 0.57 -0.13 3.41 2.01 -0.60 -3.92 115.64 113.43 3dx2 s THR 788 Ca 0.24 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.00 3dx2 s THR 788 Cb -0.12 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 71.90 3dx2 s THR 788 CO 0.82 0.18 -0.19 -1.61 -0.69 0.00 0.00 174.62 173.12 3dx2 s GLU 789 N 0.09 2.71 -0.19 4.92 2.02 -0.08 -0.86 118.70 127.32 3dx2 s GLU 789 Ca -0.01 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 3dx2 s GLU 789 Cb -0.06 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 3dx2 s GLU 789 CO -0.00 -0.02 0.30 0.42 0.02 0.00 0.00 175.26 175.97 3dx2 s ILE 790 N 0.85 5.29 -0.01 -1.63 1.01 -0.33 -0.56 121.20 125.81 3dx2 s ILE 790 Ca -0.08 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.16 3dx2 s ILE 790 Cb -0.15 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3dx2 s ILE 790 CO -0.01 0.34 -0.23 0.54 0.00 0.00 0.00 174.94 175.58 3dx2 s VAL 791 N 0.86 2.38 -0.24 2.92 0.11 -0.19 -0.03 120.40 126.20 3dx2 s VAL 791 Ca 0.15 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.04 3dx2 s VAL 791 Cb -0.14 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 3dx2 s VAL 791 CO 0.05 0.52 0.12 -0.32 -3.33 0.00 0.00 175.10 172.14 3dx2 s MET 792 N -0.83 3.88 0.08 1.54 1.75 -0.28 -1.33 119.30 124.12 3dx2 s MET 792 Ca 0.11 -0.37 0.08 0.00 -1.25 0.00 0.00 55.69 54.26 3dx2 s MET 792 Cb -0.10 -3.44 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 3dx2 s MET 792 CO 0.00 -0.05 -0.17 0.50 -0.65 0.00 0.00 175.02 174.65 3dx2 s ARG 793 N 1.32 1.96 -0.14 4.11 3.52 0.58 -0.81 118.95 129.49 3dx2 s ARG 793 Ca 0.06 -1.06 -0.00 0.00 -0.13 0.00 0.00 55.73 54.60 3dx2 s ARG 793 Cb -0.15 -2.17 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 3dx2 s ARG 793 CO 0.05 0.51 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.42 3dx2 s LEU 794 N -1.78 2.66 -0.16 -0.88 1.43 0.96 -0.70 118.68 120.22 3dx2 s LEU 794 Ca 0.16 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3dx2 s LEU 794 Cb -0.11 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3dx2 s LEU 794 CO 0.08 0.13 -0.10 -1.61 0.23 0.00 0.00 176.35 175.08 3dx2 s GLU 795 N 0.55 3.41 0.33 1.70 2.02 0.20 -1.59 118.70 125.31 3dx2 s GLU 795 Ca -0.08 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.30 3dx2 s GLU 795 Cb -0.16 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3dx2 s GLU 795 CO 0.04 0.10 0.21 0.95 0.02 0.00 0.00 175.26 176.58 3dx2 s THR 796 N 0.67 0.17 -0.96 3.63 -4.23 -0.24 -1.01 115.64 113.67 3dx2 s THR 796 Ca -0.05 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3dx2 s THR 796 Cb -0.15 -2.47 0.68 0.00 1.34 0.00 0.00 72.50 71.90 3dx2 s THR 796 CO 0.02 0.00 1.60 1.41 -0.54 0.00 0.00 174.62 177.11 3dx2 n HIS 797 N -0.64 1.41 -2.15 3.99 8.25 -1.26 -4.57 115.22 120.25 3dx2 n HIS 797 Ca 0.03 -0.64 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 3dx2 n HIS 797 Cb 0.64 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 3dx2 n HIS 797 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dx2 s ILE 798 N -1.95 3.31 -1.38 1.59 1.01 -1.26 -4.90 121.20 117.62 3dx2 s ILE 798 Ca 0.49 0.91 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 3dx2 s ILE 798 Cb 0.32 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 39.31 3dx2 s ILE 798 CO 0.22 0.06 2.19 -0.67 0.00 0.00 0.00 174.94 176.73 3dx2 n ASP 799 N 4.21 5.67 0.18 3.58 2.03 -1.26 -2.44 116.55 128.53 3dx2 n ASP 799 Ca 0.12 -2.98 0.11 0.00 0.52 0.00 0.00 54.79 52.56 3dx2 n ASP 799 Cb 0.42 -1.52 0.11 0.00 -0.72 0.00 0.00 41.12 39.42 3dx2 n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dx2 h SER 800 N 5.53 0.00 0.00 1.67 4.64 -1.89 -3.41 113.55 120.08 3dx2 h SER 800 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3dx2 h SER 800 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3dx2 h SER 800 CO 1.70 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 178.33 3dx2 n GLY 801 N 1.14 2.76 0.53 -0.77 0.00 -1.26 -2.07 105.19 105.52 3dx2 n GLY 801 Ca 0.03 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3dx2 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx2 n ASP 802 N 9.48 2.82 -4.82 1.61 5.68 -1.26 -3.19 116.55 126.87 3dx2 n ASP 802 Ca 0.00 -2.11 -0.36 0.00 -0.50 0.00 0.00 54.79 51.82 3dx2 n ASP 802 Cb 0.00 -0.22 -0.07 0.00 -1.14 0.00 0.00 41.12 39.69 3dx2 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3dx2 s ILE 803 N -1.19 5.13 0.28 2.12 -1.09 -0.88 -0.07 121.20 125.50 3dx2 s ILE 803 Ca 0.21 0.06 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 3dx2 s ILE 803 Cb 0.12 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 3dx2 s ILE 803 CO 0.12 0.61 0.57 0.72 -1.23 0.00 0.00 174.94 175.73 3dx2 s PHE 804 N -0.99 0.30 -0.00 3.97 -0.71 -0.78 -4.74 117.98 115.03 3dx2 s PHE 804 Ca 0.15 -0.71 0.04 0.00 -1.04 0.00 0.00 56.93 55.37 3dx2 s PHE 804 Cb -0.12 0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 3dx2 s PHE 804 CO 0.04 -1.14 -0.12 0.71 -1.34 0.00 0.00 175.22 173.37 3dx2 s TYR 805 N -3.67 1.09 0.08 3.49 1.51 0.03 0.28 117.35 120.16 3dx2 s TYR 805 Ca 0.20 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 3dx2 s TYR 805 Cb -0.02 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 3dx2 s TYR 805 CO 0.10 -0.01 -0.07 0.95 -1.11 0.00 0.00 175.55 175.41 3dx2 s THR 806 N -0.35 0.61 0.42 -0.71 -4.23 -0.94 -0.82 115.64 109.63 3dx2 s THR 806 Ca 0.04 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3dx2 s THR 806 Cb -0.05 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3dx2 s THR 806 CO -0.00 -0.76 0.65 1.51 -0.54 0.00 0.00 174.62 175.48 3dx2 s ASP 807 N -2.66 6.03 -0.27 3.99 -4.77 -0.91 -0.83 116.67 117.25 3dx2 s ASP 807 Ca 0.06 0.43 -0.01 0.00 -3.30 0.00 0.00 52.55 49.72 3dx2 s ASP 807 Cb 0.02 -1.78 0.04 0.00 -1.09 0.00 0.00 42.92 40.10 3dx2 s ASP 807 CO -0.04 -0.56 -0.04 -0.76 0.70 0.00 0.00 175.17 174.46 3dx2 s LEU 808 N -4.51 3.49 -1.55 2.11 1.43 0.78 -4.36 118.68 116.06 3dx2 s LEU 808 Ca 0.46 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3dx2 s LEU 808 Cb -0.10 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3dx2 s LEU 808 CO 0.38 -0.19 0.00 0.59 0.23 0.00 0.00 176.35 177.37 3dx2 n ASN 809 N 4.63 -4.78 -0.13 2.29 4.13 -1.26 -0.90 115.26 119.24 3dx2 n ASN 809 Ca -0.15 0.20 -0.02 0.00 1.68 0.00 0.00 54.58 56.29 3dx2 n ASN 809 Cb 0.45 -4.11 -0.01 0.00 -1.54 0.00 0.00 39.78 34.58 3dx2 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dx2 n GLY 810 N -0.71 0.44 0.07 7.41 0.00 -1.26 -0.27 105.19 110.86 3dx2 n GLY 810 Ca -0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3dx2 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dx2 n LEU 811 N -0.19 2.12 -3.68 0.99 7.94 -0.08 -4.91 117.00 119.19 3dx2 n LEU 811 Ca -0.02 -0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 3dx2 n LEU 811 Cb 0.22 -0.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.82 3dx2 n LEU 811 CO 0.03 0.61 0.13 0.00 -1.11 0.00 0.00 177.39 177.05 3dx2 s GLN 812 N -2.29 0.89 -0.15 1.96 -2.07 -1.19 -5.00 119.66 111.81 3dx2 s GLN 812 Ca -0.16 -0.35 -0.05 0.00 -1.82 0.00 0.00 55.36 52.99 3dx2 s GLN 812 Cb 0.05 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 3dx2 s GLN 812 CO 0.38 -0.30 0.00 -0.06 -1.32 0.00 0.00 175.29 173.99 3dx2 s PHE 813 N -2.35 3.12 -0.04 9.60 0.40 -1.25 -0.16 117.98 127.30 3dx2 s PHE 813 Ca -0.06 -0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 3dx2 s PHE 813 Cb -0.01 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3dx2 s PHE 813 CO -0.02 0.10 -0.20 -1.50 0.70 0.00 0.00 175.22 174.30 3dx2 s ILE 814 N 0.19 2.51 0.14 0.64 2.07 -0.01 -1.94 121.20 124.79 3dx2 s ILE 814 Ca 0.01 -0.92 -0.31 0.00 -1.41 0.00 0.00 60.65 58.02 3dx2 s ILE 814 Cb -0.13 -1.94 -0.08 0.00 0.13 0.00 0.00 42.46 40.44 3dx2 s ILE 814 CO 0.02 0.58 1.34 -0.75 -1.91 0.00 0.00 174.94 174.22 3dx2 s LYS 815 N -0.53 4.36 0.11 3.50 2.20 -0.34 -2.22 119.74 126.82 3dx2 s LYS 815 Ca 0.07 2.03 0.07 0.00 -0.36 0.00 0.00 55.97 57.78 3dx2 s LYS 815 Cb -0.11 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3dx2 s LYS 815 CO 0.01 -0.35 -0.10 1.03 -0.36 0.00 0.00 175.35 175.58 3dx2 s ARG 816 N 0.70 2.13 -0.13 4.03 1.81 0.14 -4.95 118.95 122.69 3dx2 s ARG 816 Ca 0.61 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 3dx2 s ARG 816 Cb -0.36 -2.30 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3dx2 s ARG 816 CO 0.33 0.50 -0.11 0.50 -0.68 0.00 0.00 175.30 175.83 3dx2 s ARG 817 N -2.28 1.93 0.21 3.54 3.52 -1.26 -1.87 118.95 122.75 3dx2 s ARG 817 Ca 0.22 -0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 55.08 3dx2 s ARG 817 Cb -0.11 -1.83 -0.11 0.00 -1.56 0.00 0.00 34.95 31.34 3dx2 s ARG 817 CO 0.14 -0.22 1.62 0.50 -0.81 0.00 0.00 175.30 176.53 3dx2 s ARG 818 N 1.50 4.17 -0.18 5.12 3.52 0.90 -4.99 118.95 128.99 3dx2 s ARG 818 Ca 0.03 2.49 0.01 0.00 -0.13 0.00 0.00 55.73 58.13 3dx2 s ARG 818 Cb -0.13 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3dx2 s ARG 818 CO -0.08 -0.65 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.06 3dx2 s LEU 819 N 0.71 2.12 0.00 -0.88 1.43 -1.26 -4.90 118.68 115.90 3dx2 s LEU 819 Ca 0.70 -0.66 0.21 0.00 -1.03 0.00 0.00 54.13 53.34 3dx2 s LEU 819 Cb -0.47 -1.43 0.91 0.00 0.03 0.00 0.00 46.19 45.23 3dx2 s LEU 819 CO 0.36 -0.02 1.68 0.47 0.23 0.00 0.00 176.35 179.06 3dx2 n ASP 820 N 4.64 0.00 0.00 2.29 8.00 -1.26 -1.51 116.55 128.71 3dx2 n ASP 820 Ca -0.20 0.49 0.12 0.00 0.71 0.00 0.00 54.79 55.91 3dx2 n ASP 820 Cb 0.50 -0.50 0.61 0.00 -0.02 0.00 0.00 41.12 41.70 3dx2 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3dx2 n LYS 821 N -1.50 0.30 -4.23 -1.24 2.85 -1.26 -4.73 118.16 108.36 3dx2 n LYS 821 Ca 0.05 0.06 -0.29 0.00 -1.05 0.00 0.00 58.31 57.08 3dx2 n LYS 821 Cb 0.25 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.03 3dx2 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3dx2 s LEU 822 N -2.63 3.05 0.86 -5.58 1.43 -0.57 -5.02 118.68 110.22 3dx2 s LEU 822 Ca 0.22 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 3dx2 s LEU 822 Cb 0.16 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.67 3dx2 s LEU 822 CO 0.39 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.06 3dx2 s PRO 823 N -2.34 1.60 0.22 1.29 0.04 -1.26 -4.86 135.00 129.69 3dx2 s PRO 823 Ca 0.22 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 3dx2 s PRO 823 Cb -0.11 -1.85 0.30 0.00 0.04 0.00 0.00 34.50 32.88 3dx2 s PRO 823 CO 0.14 -1.99 1.64 1.25 0.04 0.00 0.00 177.00 178.08 3dx2 h LEU 824 N -1.37 -0.42 -2.30 -3.56 6.46 -1.96 -0.73 115.31 111.42 3dx2 h LEU 824 Ca -0.48 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3dx2 h LEU 824 Cb 1.28 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 3dx2 h LEU 824 CO 0.56 -0.17 -0.02 0.06 -0.62 0.00 0.00 178.44 178.26 3dx2 h GLN 825 N 0.06 0.00 0.00 1.25 -0.00 -1.92 -0.59 115.11 113.91 3dx2 h GLN 825 Ca 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.95 3dx2 h GLN 825 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.01 3dx2 h GLN 825 CO -0.61 0.02 -0.15 0.00 -0.00 0.00 0.00 178.83 178.09 3dx2 h ALA 826 N 1.98 0.92 -0.08 0.06 0.00 -1.48 -3.09 119.26 117.57 3dx2 h ALA 826 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dx2 h ALA 826 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dx2 h ALA 826 CO 0.00 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.53 3dx2 n ASN 827 N -3.15 1.53 -4.76 0.00 3.02 -0.24 -4.57 115.26 107.10 3dx2 n ASN 827 Ca 0.03 -1.58 -0.40 0.00 -0.03 0.00 0.00 54.58 52.60 3dx2 n ASN 827 Cb 0.55 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 3dx2 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3dx2 s TYR 828 N -1.91 3.80 0.18 3.10 1.51 -1.17 -4.60 117.35 118.26 3dx2 s TYR 828 Ca 0.36 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.97 3dx2 s TYR 828 Cb 0.19 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.22 3dx2 s TYR 828 CO 0.30 0.37 -0.07 0.71 -1.11 0.00 0.00 175.55 175.76 3dx2 s TYR 829 N -0.47 1.41 0.33 2.71 2.02 -0.07 -4.67 117.35 118.60 3dx2 s TYR 829 Ca 0.37 -0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 3dx2 s TYR 829 Cb -0.21 -0.75 -0.10 0.00 -0.40 0.00 0.00 41.96 40.49 3dx2 s TYR 829 CO 0.24 0.05 1.40 -2.14 -1.57 0.00 0.00 175.55 173.53 3dx2 s PRO 830 N -3.78 4.25 -0.76 -1.71 0.02 -1.26 -1.52 135.00 130.25 3dx2 s PRO 830 Ca 0.22 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3dx2 s PRO 830 Cb 0.04 -3.05 0.21 0.00 0.02 0.00 0.00 34.50 31.72 3dx2 s PRO 830 CO 0.04 -0.36 0.68 -0.89 -0.33 0.00 0.00 177.00 176.14 3dx2 n ILE 831 N 1.07 2.35 0.18 2.83 2.08 0.10 -4.48 119.36 123.49 3dx2 n ILE 831 Ca 0.02 -5.08 0.04 0.00 0.56 0.00 0.00 62.75 58.29 3dx2 n ILE 831 Cb 0.40 -2.21 0.32 0.00 -0.75 0.00 0.00 39.64 37.40 3dx2 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3dx2 h PRO 832 N 5.21 0.00 0.00 0.38 0.13 -1.78 -2.57 132.00 133.37 3dx2 h PRO 832 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3dx2 h PRO 832 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3dx2 h PRO 832 CO 0.81 0.42 0.00 -1.13 -0.23 0.00 0.00 178.00 177.88 3dx2 n SER 833 N -3.66 0.00 -3.61 1.44 3.41 -1.26 -3.81 113.62 106.13 3dx2 n SER 833 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3dx2 n SER 833 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3dx2 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3dx2 s GLY 834 N 0.00 -0.30 0.06 5.00 0.00 -1.26 -0.76 107.32 110.06 3dx2 s GLY 834 Ca 0.00 1.51 -0.19 0.00 0.00 0.00 0.00 44.72 46.04 3dx2 s GLY 834 CO 0.00 0.48 0.43 -3.16 0.00 0.00 0.00 173.10 170.85 3dx2 s MET 835 N -2.32 0.97 0.08 2.90 0.23 -0.42 -2.14 119.30 118.59 3dx2 s MET 835 Ca 0.11 -0.39 -0.14 0.00 -1.03 0.00 0.00 55.69 54.24 3dx2 s MET 835 Cb 0.00 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 3dx2 s MET 835 CO -0.04 -0.34 0.32 -0.59 -2.03 0.00 0.00 175.02 172.33 3dx2 s PHE 836 N -2.68 -0.09 0.12 3.16 -0.12 0.00 -0.81 117.98 117.57 3dx2 s PHE 836 Ca -0.04 -0.15 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 3dx2 s PHE 836 Cb -0.00 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3dx2 s PHE 836 CO -0.04 -0.57 -0.17 0.96 -0.05 0.00 0.00 175.22 175.35 3dx2 s ILE 837 N -3.19 1.52 0.12 -4.49 -4.36 -0.76 -0.79 121.20 109.26 3dx2 s ILE 837 Ca -0.01 -1.68 -0.16 0.00 -0.26 0.00 0.00 60.65 58.55 3dx2 s ILE 837 Cb 0.01 -1.56 0.04 0.00 1.25 0.00 0.00 42.46 42.20 3dx2 s ILE 837 CO -0.07 -0.28 0.40 -1.83 0.24 0.00 0.00 174.94 173.40 3dx2 s GLU 838 N -2.40 1.06 0.00 0.37 -1.05 -1.26 -1.22 118.70 114.20 3dx2 s GLU 838 Ca 0.09 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 3dx2 s GLU 838 Cb -0.07 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3dx2 s GLU 838 CO 0.04 -0.41 0.00 -0.40 0.95 0.00 0.00 175.26 175.44 3dx2 n ASP 839 N -0.19 1.48 0.18 0.83 5.68 -0.22 -4.10 116.55 120.21 3dx2 n ASP 839 Ca -0.16 -0.07 0.08 0.00 -0.50 0.00 0.00 54.79 54.14 3dx2 n ASP 839 Cb 0.64 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.21 3dx2 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dx2 h ALA 840 N 1.00 1.97 0.00 2.12 0.00 -1.97 -3.33 119.26 119.05 3dx2 h ALA 840 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3dx2 h ALA 840 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dx2 h ALA 840 CO 0.00 0.01 -1.52 0.09 0.00 0.00 0.00 179.25 177.83 3dx2 n ASN 841 N -4.51 3.01 -4.01 0.00 3.02 -1.26 -3.47 115.26 108.03 3dx2 n ASN 841 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 3dx2 n ASN 841 Cb 0.12 0.85 -0.14 0.00 -0.61 0.00 0.00 39.78 40.00 3dx2 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dx2 s THR 842 N -2.28 0.64 0.01 3.41 2.01 -1.25 -0.32 115.64 117.85 3dx2 s THR 842 Ca -0.04 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.60 3dx2 s THR 842 Cb 0.03 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 3dx2 s THR 842 CO 0.34 0.13 -0.15 -0.60 -0.69 0.00 0.00 174.62 173.65 3dx2 s ARG 843 N -0.32 1.11 -0.15 4.92 3.52 -0.26 -1.05 118.95 126.71 3dx2 s ARG 843 Ca 0.02 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3dx2 s ARG 843 Cb -0.04 -1.10 0.02 0.00 -1.56 0.00 0.00 34.95 32.27 3dx2 s ARG 843 CO -0.00 0.29 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.43 3dx2 s LEU 844 N -0.66 1.96 -0.11 -0.88 2.96 -0.36 -1.04 118.68 120.55 3dx2 s LEU 844 Ca 0.04 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3dx2 s LEU 844 Cb -0.07 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3dx2 s LEU 844 CO 0.00 0.00 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.99 3dx2 s THR 845 N 1.20 2.87 -0.28 3.68 2.01 0.13 -1.82 115.64 123.42 3dx2 s THR 845 Ca 0.01 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3dx2 s THR 845 Cb -0.14 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.22 3dx2 s THR 845 CO -0.09 0.54 0.02 -0.22 -0.69 0.00 0.00 174.62 174.18 3dx2 s LEU 846 N 0.21 3.64 0.07 4.42 2.96 0.01 -0.56 118.68 129.43 3dx2 s LEU 846 Ca -0.09 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 3dx2 s LEU 846 Cb -0.16 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3dx2 s LEU 846 CO 0.06 -0.18 0.32 -0.76 -1.32 0.00 0.00 176.35 174.46 3dx2 s LEU 847 N 1.40 4.33 0.13 -0.68 2.01 -0.13 -1.31 118.68 124.44 3dx2 s LEU 847 Ca 0.01 0.57 0.09 0.00 0.01 0.00 0.00 54.13 54.81 3dx2 s LEU 847 Cb -0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.03 3dx2 s LEU 847 CO -0.00 0.17 -0.22 0.42 1.01 0.00 0.00 176.35 177.72 3dx2 s THR 848 N -1.45 1.89 -1.26 5.49 -4.23 0.06 -1.44 115.64 114.70 3dx2 s THR 848 Ca 0.33 -1.69 0.17 0.00 -1.18 0.00 0.00 61.69 59.33 3dx2 s THR 848 Cb -0.13 -1.74 0.65 0.00 1.34 0.00 0.00 72.50 72.63 3dx2 s THR 848 CO 0.20 -0.08 1.54 0.61 -0.54 0.00 0.00 174.62 176.36 3dx2 n GLY 849 N 0.85 2.42 3.59 3.99 0.00 -0.27 -4.72 105.19 111.05 3dx2 n GLY 849 Ca -0.18 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3dx2 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dx2 s GLN 850 N -1.76 0.74 0.11 1.61 0.00 -1.26 -4.72 119.66 114.39 3dx2 s GLN 850 Ca 0.46 0.48 -0.30 0.00 -0.00 0.00 0.00 55.36 56.00 3dx2 s GLN 850 Cb 0.29 0.36 -0.06 0.00 0.00 0.00 0.00 33.01 33.60 3dx2 s GLN 850 CO 0.23 -0.17 1.12 -1.25 0.00 0.00 0.00 175.29 175.22 3dx2 s PRO 851 N -0.46 4.53 0.19 9.60 0.04 -1.25 -4.71 135.00 142.95 3dx2 s PRO 851 Ca -0.02 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 3dx2 s PRO 851 Cb -0.03 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3dx2 s PRO 851 CO 0.02 -0.05 0.22 -0.51 0.04 0.00 0.00 177.00 176.71 3dx2 s LEU 852 N 0.30 1.05 0.25 -3.56 1.43 -0.97 -4.77 118.68 112.41 3dx2 s LEU 852 Ca 0.53 -1.17 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 3dx2 s LEU 852 Cb -0.28 0.80 -0.06 0.00 0.03 0.00 0.00 46.19 46.67 3dx2 s LEU 852 CO 0.32 -0.89 0.55 -0.83 0.23 0.00 0.00 176.35 175.72 3dx2 s GLY 853 N -3.08 2.13 0.22 -3.19 0.00 -0.98 0.03 107.32 102.45 3dx2 s GLY 853 Ca 0.29 -0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.42 3dx2 s GLY 853 CO 0.08 -0.26 0.99 -0.32 0.00 0.00 0.00 173.10 173.59 3dx2 s GLY 854 N -2.65 0.15 0.23 0.20 0.00 -0.57 -0.30 107.32 104.38 3dx2 s GLY 854 Ca 0.46 -0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 3dx2 s GLY 854 CO 0.25 1.91 0.95 -1.26 0.00 0.00 0.00 173.10 174.94 3dx2 n SER 855 N -1.23 -1.84 -3.81 1.64 2.88 -0.39 -0.89 113.62 109.98 3dx2 n SER 855 Ca -0.04 -2.06 -0.30 0.00 -1.33 0.00 0.00 58.87 55.15 3dx2 n SER 855 Cb 0.60 3.01 -0.15 0.00 -0.75 0.00 0.00 64.21 66.91 3dx2 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3dx2 s SER 856 N -3.29 4.10 0.00 -3.46 0.15 -1.26 -0.66 113.70 109.28 3dx2 s SER 856 Ca 0.21 -1.65 0.26 0.00 0.70 0.00 0.00 55.95 55.47 3dx2 s SER 856 Cb -0.03 -1.04 0.67 0.00 -1.71 0.00 0.00 66.02 63.91 3dx2 s SER 856 CO 0.07 -0.38 1.51 0.18 1.20 0.00 0.00 173.24 175.82 3dx2 n LEU 857 N 4.72 1.09 -3.55 3.45 4.77 -1.26 -4.80 117.00 121.42 3dx2 n LEU 857 Ca -0.02 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 3dx2 n LEU 857 Cb 0.43 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3dx2 n LEU 857 CO 0.14 0.21 0.31 0.00 -1.33 0.00 0.00 177.39 176.72 3dx2 s ALA 858 N -2.53 -1.41 0.25 -1.18 0.00 -1.26 -5.09 121.76 110.55 3dx2 s ALA 858 Ca 0.23 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3dx2 s ALA 858 Cb 0.19 0.42 -0.14 0.00 0.00 0.00 0.00 23.12 23.59 3dx2 s ALA 858 CO 0.54 -0.53 1.14 0.45 0.00 0.00 0.00 175.76 177.35 3dx2 n SER 859 N 0.34 1.65 0.00 0.00 2.88 -1.19 -1.35 113.62 115.94 3dx2 n SER 859 Ca -0.18 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3dx2 n SER 859 Cb 0.61 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3dx2 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dx2 n GLY 860 N 1.56 1.07 3.74 0.46 0.00 -1.02 -4.87 105.19 106.13 3dx2 n GLY 860 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3dx2 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx2 s GLU 861 N -0.04 2.78 0.03 1.61 2.02 -0.46 -1.08 118.70 123.56 3dx2 s GLU 861 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.32 3dx2 s GLU 861 Cb 0.00 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 3dx2 s GLU 861 CO 0.00 0.57 -0.15 -0.51 0.02 0.00 0.00 175.26 175.19 3dx2 s LEU 862 N -2.27 2.14 -0.00 1.80 1.43 -0.62 -4.45 118.68 116.71 3dx2 s LEU 862 Ca 0.27 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3dx2 s LEU 862 Cb -0.12 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.45 3dx2 s LEU 862 CO 0.20 0.08 0.20 -1.83 0.23 0.00 0.00 176.35 175.22 3dx2 s GLU 863 N -0.96 0.56 -0.09 1.70 -1.05 0.17 -0.03 118.70 119.00 3dx2 s GLU 863 Ca 0.03 -0.34 -0.04 0.00 -0.15 0.00 0.00 54.97 54.47 3dx2 s GLU 863 Cb -0.07 0.24 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 3dx2 s GLU 863 CO 0.01 -0.15 0.19 -1.50 0.95 0.00 0.00 175.26 174.76 3dx2 s ILE 864 N -1.44 -0.13 0.29 1.83 2.07 0.01 -1.27 121.20 122.56 3dx2 s ILE 864 Ca -0.14 0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 59.03 3dx2 s ILE 864 Cb -0.06 -0.31 -0.10 0.00 0.13 0.00 0.00 42.46 42.12 3dx2 s ILE 864 CO 0.02 0.09 1.15 -0.32 -1.91 0.00 0.00 174.94 173.97 3dx2 s MET 865 N 1.56 4.57 -0.25 3.50 -2.45 0.59 -1.12 119.30 125.70 3dx2 s MET 865 Ca -0.06 1.90 -0.11 0.00 -1.25 0.00 0.00 55.69 56.17 3dx2 s MET 865 Cb -0.11 -3.17 -0.16 0.00 1.25 0.00 0.00 34.83 32.64 3dx2 s MET 865 CO -0.07 0.11 -0.17 1.04 1.05 0.00 0.00 175.02 176.98 3dx2 n GLN 866 N 1.18 0.61 -3.66 4.11 1.13 0.95 -4.46 117.38 117.24 3dx2 n GLN 866 Ca -0.01 0.29 -0.08 0.00 -1.94 0.00 0.00 57.00 55.26 3dx2 n GLN 866 Cb 0.44 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 3dx2 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3dx2 s ASP 867 N -7.12 -0.36 -0.10 1.08 -1.08 -1.21 -4.83 116.67 103.05 3dx2 s ASP 867 Ca -0.35 -0.31 -0.08 0.00 -0.52 0.00 0.00 52.55 51.29 3dx2 s ASP 867 Cb 0.11 0.61 0.03 0.00 -1.46 0.00 0.00 42.92 42.21 3dx2 s ASP 867 CO 0.56 -1.08 0.25 0.00 0.52 0.00 0.00 175.17 175.43 3dx2 s ARG 868 N -3.68 0.28 -0.12 4.34 1.70 -1.26 -1.18 118.95 119.02 3dx2 s ARG 868 Ca 0.07 0.39 -0.00 0.00 -0.47 0.00 0.00 55.73 55.72 3dx2 s ARG 868 Cb -0.03 0.09 0.03 0.00 -0.57 0.00 0.00 34.95 34.46 3dx2 s ARG 868 CO -0.02 -0.06 -0.08 0.50 -1.08 0.00 0.00 175.30 174.56 3dx2 s ARG 869 N 0.38 1.58 -0.09 3.89 3.52 -0.03 -4.84 118.95 123.36 3dx2 s ARG 869 Ca -0.02 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3dx2 s ARG 869 Cb -0.04 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.68 3dx2 s ARG 869 CO -0.02 -0.29 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.60 3dx2 s LEU 870 N 1.68 1.24 0.40 -0.88 1.43 0.18 -0.29 118.68 122.44 3dx2 s LEU 870 Ca 0.04 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.10 3dx2 s LEU 870 Cb -0.13 -0.75 0.37 0.00 0.03 0.00 0.00 46.19 45.71 3dx2 s LEU 870 CO -0.08 -0.08 1.60 0.00 0.23 0.00 0.00 176.35 178.01 3dx2 h ALA 871 N 7.80 0.91 -2.76 4.21 0.00 -1.88 0.15 119.26 127.68 3dx2 h ALA 871 Ca -0.30 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 3dx2 h ALA 871 Cb 1.15 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3dx2 h ALA 871 CO 0.41 0.20 -0.61 -1.12 0.00 0.00 0.00 179.25 178.13 3dx2 s SER 872 N -6.25 5.19 0.49 0.00 0.01 -1.26 -4.38 113.70 107.49 3dx2 s SER 872 Ca 0.05 -0.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 3dx2 s SER 872 Cb 0.06 -1.25 -0.08 0.00 0.21 0.00 0.00 66.02 64.96 3dx2 s SER 872 CO 0.68 0.08 1.04 -0.62 0.41 0.00 0.00 173.24 174.82 3dx2 s ASP 873 N -3.05 6.35 -0.26 2.44 2.15 -1.26 -3.87 116.67 119.17 3dx2 s ASP 873 Ca 0.29 1.92 0.12 0.00 0.43 0.00 0.00 52.55 55.31 3dx2 s ASP 873 Cb -0.10 -2.56 0.57 0.00 -0.30 0.00 0.00 42.92 40.53 3dx2 s ASP 873 CO 0.21 -0.77 1.54 -0.90 -0.17 0.00 0.00 175.17 175.08 3dx2 n ASP 874 N -0.97 3.52 -1.75 -0.34 5.75 -1.26 -4.78 116.55 116.72 3dx2 n ASP 874 Ca 0.09 -3.37 -0.15 0.00 -0.01 0.00 0.00 54.79 51.35 3dx2 n ASP 874 Cb 0.53 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3dx2 n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dx2 n GLU 875 N -0.72 -1.43 -0.06 0.11 1.02 -1.26 -4.86 120.64 113.43 3dx2 n GLU 875 Ca 0.32 0.71 0.03 0.00 -0.02 0.00 0.00 57.16 58.20 3dx2 n GLU 875 Cb 1.09 -5.04 0.06 0.00 -0.02 0.00 0.00 31.44 27.53 3dx2 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dx2 n ARG 876 N -2.49 1.89 0.00 3.49 5.12 -1.26 -4.99 116.66 118.41 3dx2 n ARG 876 Ca -0.17 -1.47 0.00 0.00 -1.93 0.00 0.00 57.85 54.28 3dx2 n ARG 876 Cb 0.63 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.80 3dx2 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dx2 n GLY 877 N 0.13 0.90 0.20 -0.13 0.00 -1.26 -4.98 105.19 100.05 3dx2 n GLY 877 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3dx2 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dx2 h LEU 878 N 0.00 0.38 0.76 0.99 5.85 -1.94 -3.47 115.31 117.88 3dx2 h LEU 878 Ca 0.00 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 3dx2 h LEU 878 Cb 0.00 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3dx2 h LEU 878 CO 0.00 0.80 -0.18 0.61 -0.34 0.00 0.00 178.44 179.33 3dx2 n GLY 879 N 0.03 0.59 3.45 3.75 0.00 -1.26 -4.87 105.19 106.88 3dx2 n GLY 879 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3dx2 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dx2 s GLN 880 N -3.46 1.17 0.00 1.61 -2.07 -1.26 -4.97 119.66 110.68 3dx2 s GLN 880 Ca 0.00 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 3dx2 s GLN 880 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 3dx2 s GLN 880 CO 0.00 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.88 3dx2 n GLY 881 N -0.19 -0.10 2.93 2.60 0.00 -1.25 -4.21 105.19 104.96 3dx2 n GLY 881 Ca -0.16 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3dx2 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx2 s VAL 882 N 0.16 1.93 -0.06 1.61 1.01 0.54 -4.84 120.40 120.74 3dx2 s VAL 882 Ca 0.00 -2.21 0.09 0.00 0.00 0.00 0.00 61.98 59.86 3dx2 s VAL 882 Cb 0.00 -2.42 0.15 0.00 0.00 0.00 0.00 36.38 34.10 3dx2 s VAL 882 CO 0.00 -0.65 1.07 0.18 0.00 0.00 0.00 175.10 175.71 3dx2 n LEU 883 N 4.27 1.13 -0.99 3.92 4.77 -1.26 -0.64 117.00 128.20 3dx2 n LEU 883 Ca 0.03 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 3dx2 n LEU 883 Cb 0.41 -0.20 0.21 0.00 -2.33 0.00 0.00 43.42 41.50 3dx2 n LEU 883 CO 0.20 0.48 0.67 -0.90 -1.33 0.00 0.00 177.39 176.52 3dx2 n ASP 884 N -0.67 2.75 -4.63 -1.43 5.68 -1.26 -5.05 116.55 111.94 3dx2 n ASP 884 Ca 0.08 -3.55 -0.38 0.00 -0.50 0.00 0.00 54.79 50.43 3dx2 n ASP 884 Cb 0.68 -0.59 0.04 0.00 -1.14 0.00 0.00 41.12 40.11 3dx2 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3dx2 n ASN 885 N -1.01 1.14 -3.97 -1.12 4.13 -1.26 -5.04 115.26 108.13 3dx2 n ASN 885 Ca 0.28 0.87 -0.09 0.00 1.68 0.00 0.00 54.58 57.33 3dx2 n ASN 885 Cb 0.95 -1.41 -0.09 0.00 -1.54 0.00 0.00 39.78 37.69 3dx2 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3dx2 s LYS 886 N -2.65 0.61 0.25 3.52 -2.85 -1.26 -4.97 119.74 112.39 3dx2 s LYS 886 Ca 0.73 -0.91 -0.31 0.00 -1.00 0.00 0.00 55.97 54.48 3dx2 s LYS 886 Cb -0.44 0.23 -0.13 0.00 -2.06 0.00 0.00 37.83 35.43 3dx2 s LYS 886 CO 0.49 -0.15 1.39 -2.30 0.10 0.00 0.00 175.35 174.88 3dx2 n PRO 887 N 0.52 2.04 -4.15 1.78 -0.02 -1.26 -4.80 135.00 129.11 3dx2 n PRO 887 Ca -0.17 0.72 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3dx2 n PRO 887 Cb 0.60 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 3dx2 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dx2 s VAL 888 N -0.21 0.42 -0.49 -1.45 0.11 -0.84 -4.89 120.40 113.05 3dx2 s VAL 888 Ca 0.66 -0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3dx2 s VAL 888 Cb -0.64 -0.37 0.08 0.00 -1.53 0.00 0.00 36.38 33.92 3dx2 s VAL 888 CO 0.51 0.07 0.45 -0.22 -3.33 0.00 0.00 175.10 172.59 3dx2 s LEU 889 N -0.25 5.59 0.11 2.54 2.96 -1.26 -0.42 118.68 127.96 3dx2 s LEU 889 Ca 0.01 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 52.37 3dx2 s LEU 889 Cb -0.03 -2.23 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 3dx2 s LEU 889 CO -0.00 -0.72 0.66 -1.00 -1.32 0.00 0.00 176.35 173.97 3dx2 s HIS 890 N 1.81 3.85 0.11 5.38 3.76 0.17 -4.91 115.29 125.46 3dx2 s HIS 890 Ca 0.06 1.43 0.09 0.00 -0.15 0.00 0.00 55.06 56.49 3dx2 s HIS 890 Cb -0.24 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 3dx2 s HIS 890 CO 0.07 0.56 -0.22 0.96 -0.85 0.00 0.00 174.74 175.26 3dx2 s ILE 891 N -1.13 1.80 0.13 0.60 -4.36 -1.26 -0.86 121.20 116.12 3dx2 s ILE 891 Ca 0.32 -1.59 -0.12 0.00 -0.26 0.00 0.00 60.65 59.00 3dx2 s ILE 891 Cb -0.21 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 41.88 3dx2 s ILE 891 CO 0.22 -0.04 0.31 -0.31 0.24 0.00 0.00 174.94 175.36 3dx2 s TYR 892 N -1.16 0.09 0.03 1.37 1.51 0.15 -1.11 117.35 118.22 3dx2 s TYR 892 Ca 0.08 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 3dx2 s TYR 892 Cb -0.10 0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 3dx2 s TYR 892 CO 0.05 -0.68 -0.21 1.03 -1.11 0.00 0.00 175.55 174.63 3dx2 s ARG 893 N -3.88 1.48 -0.22 -0.62 1.81 -0.52 -1.02 118.95 115.99 3dx2 s ARG 893 Ca 0.08 -0.89 0.02 0.00 -1.72 0.00 0.00 55.73 53.21 3dx2 s ARG 893 Cb 0.03 -1.55 0.04 0.00 -0.45 0.00 0.00 34.95 33.01 3dx2 s ARG 893 CO -0.07 0.40 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.63 3dx2 s LEU 894 N -1.00 2.77 -0.27 2.53 2.96 -0.66 -0.95 118.68 124.06 3dx2 s LEU 894 Ca 0.08 -0.99 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 3dx2 s LEU 894 Cb -0.09 -1.52 0.07 0.00 0.50 0.00 0.00 46.19 45.15 3dx2 s LEU 894 CO 0.01 -0.09 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.20 3dx2 s VAL 895 N 1.21 2.02 -0.19 1.68 1.01 0.28 -3.50 120.40 122.90 3dx2 s VAL 895 Ca -0.01 -1.67 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 3dx2 s VAL 895 Cb -0.16 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3dx2 s VAL 895 CO -0.09 -0.17 0.16 -0.22 0.00 0.00 0.00 175.10 174.78 3dx2 s LEU 896 N 1.14 4.22 0.01 3.92 2.96 -1.26 -0.70 118.68 128.97 3dx2 s LEU 896 Ca -0.04 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 3dx2 s LEU 896 Cb -0.19 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 3dx2 s LEU 896 CO -0.06 0.17 0.05 -1.61 -1.32 0.00 0.00 176.35 173.58 3dx2 s GLU 897 N 0.34 0.35 -0.09 1.98 2.02 -0.21 -5.01 118.70 118.08 3dx2 s GLU 897 Ca 0.10 -0.42 -0.27 0.00 0.02 0.00 0.00 54.97 54.39 3dx2 s GLU 897 Cb -0.11 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 3dx2 s GLU 897 CO -0.01 -0.07 0.88 0.15 0.02 0.00 0.00 175.26 176.23 3dx2 s LYS 898 N -1.22 4.42 0.00 1.61 -0.14 -1.26 -1.10 119.74 122.05 3dx2 s LYS 898 Ca -0.13 1.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.65 3dx2 s LYS 898 Cb -0.08 -3.51 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 3dx2 s LYS 898 CO 0.00 -0.16 0.83 1.33 -0.76 0.00 0.00 175.35 176.58 3dx2 n VAL 899 N 4.26 0.68 0.28 3.17 0.24 0.57 -4.75 118.33 122.77 3dx2 n VAL 899 Ca 0.04 -0.75 0.13 0.00 -2.04 0.00 0.00 64.34 61.72 3dx2 n VAL 899 Cb 0.50 0.69 0.81 0.00 -1.47 0.00 0.00 33.84 34.37 3dx2 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3dx2 h ASN 900 N 0.00 0.00 0.21 -1.34 -1.07 -1.58 -1.74 115.58 110.06 3dx2 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3dx2 h ASN 900 Cb 0.50 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.75 3dx2 h ASN 900 CO 0.00 0.05 -0.25 0.59 0.07 0.00 0.00 177.43 177.90 3dx2 n ASN 901 N -3.84 1.09 -4.77 6.14 3.02 -1.26 -4.95 115.26 110.69 3dx2 n ASN 901 Ca -0.03 -0.95 -0.38 0.00 -0.03 0.00 0.00 54.58 53.19 3dx2 n ASN 901 Cb 0.15 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3dx2 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dx2 s VAL 903 N -1.45 4.20 0.27 0.00 1.01 0.17 -4.99 120.40 119.61 3dx2 s VAL 903 Ca 0.48 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.76 3dx2 s VAL 903 Cb -0.23 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.45 3dx2 s VAL 903 CO 0.28 -1.37 0.22 -0.13 0.00 0.00 0.00 175.10 174.11 3dx2 s ARG 904 N 4.44 2.88 0.91 2.72 0.52 -1.26 -4.42 118.95 124.73 3dx2 s ARG 904 Ca 0.31 -1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 54.31 3dx2 s ARG 904 Cb -0.12 -2.54 0.14 0.00 0.52 0.00 0.00 34.95 32.95 3dx2 s ARG 904 CO 0.17 0.33 1.15 -2.14 0.02 0.00 0.00 175.30 174.83 3dx2 s PRO 905 N -3.88 1.02 0.96 3.54 0.02 -1.26 -4.92 135.00 130.49 3dx2 s PRO 905 Ca 0.35 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 3dx2 s PRO 905 Cb -0.07 -1.73 0.17 0.00 0.02 0.00 0.00 34.50 32.89 3dx2 s PRO 905 CO 0.25 -2.63 1.10 -1.54 -0.33 0.00 0.00 177.00 173.85 3dx2 s SER 906 N -2.62 2.98 0.54 2.53 1.04 -1.26 -4.89 113.70 112.02 3dx2 s SER 906 Ca 0.67 1.20 0.24 0.00 0.48 0.00 0.00 55.95 58.54 3dx2 s SER 906 Cb -0.23 -1.86 1.41 0.00 0.10 0.00 0.00 66.02 65.44 3dx2 s SER 906 CO 0.57 -2.91 2.04 0.11 0.98 0.00 0.00 173.24 174.04 3dx2 h LYS 907 N -1.74 0.00 -0.00 4.02 1.57 -2.00 -1.34 116.57 117.07 3dx2 h LYS 907 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3dx2 h LYS 907 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3dx2 h LYS 907 CO 0.58 0.00 -0.28 1.28 -0.57 0.00 0.00 179.45 180.46 3dx2 n LEU 908 N -4.31 0.77 -4.74 2.94 4.77 -1.26 -4.91 117.00 110.27 3dx2 n LEU 908 Ca 0.06 -0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3dx2 n LEU 908 Cb 0.45 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3dx2 n LEU 908 CO 0.35 0.15 0.82 -2.28 -1.33 0.00 0.00 177.39 175.10 3dx2 s HIS 909 N -2.62 3.54 -1.47 -1.77 2.46 -0.51 -4.94 115.29 109.98 3dx2 s HIS 909 Ca 0.22 1.54 0.30 0.00 0.47 0.00 0.00 55.06 57.59 3dx2 s HIS 909 Cb 0.19 -3.32 1.53 0.00 -0.13 0.00 0.00 32.58 30.85 3dx2 s HIS 909 CO 0.55 -0.78 2.06 -0.35 -2.47 0.00 0.00 174.74 173.75 3dx2 n PRO 910 N 2.53 0.47 -4.04 2.88 -0.04 -1.26 -4.90 135.00 130.65 3dx2 n PRO 910 Ca 0.04 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 3dx2 n PRO 910 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3dx2 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx2 s ALA 911 N -2.54 3.57 0.26 0.55 0.00 -1.26 -1.20 121.76 121.15 3dx2 s ALA 911 Ca 0.30 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.62 3dx2 s ALA 911 Cb 0.20 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3dx2 s ALA 911 CO 0.46 0.10 0.06 0.20 0.00 0.00 0.00 175.76 176.58 3dx2 s GLY 912 N -3.87 1.74 0.01 0.00 0.00 -0.82 -4.74 107.32 99.64 3dx2 s GLY 912 Ca 0.37 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3dx2 s GLY 912 CO 0.24 -1.66 -0.02 -0.19 0.00 0.00 0.00 173.10 171.47 3dx2 s TYR 913 N -3.57 0.18 0.69 1.90 2.02 -1.26 -3.93 117.35 113.38 3dx2 s TYR 913 Ca 0.34 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 3dx2 s TYR 913 Cb 0.07 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 3dx2 s TYR 913 CO 0.12 -0.07 1.07 -0.51 -1.57 0.00 0.00 175.55 174.60 3dx2 s LEU 914 N -0.58 3.22 0.68 -1.29 1.43 -1.26 -4.66 118.68 116.22 3dx2 s LEU 914 Ca -0.06 1.76 -0.09 0.00 -1.03 0.00 0.00 54.13 54.71 3dx2 s LEU 914 Cb -0.04 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.69 3dx2 s LEU 914 CO -0.00 -1.56 1.04 0.42 0.23 0.00 0.00 176.35 176.48 3dx2 s THR 915 N -2.79 3.23 0.22 5.49 -4.23 -1.26 -0.93 115.64 115.37 3dx2 s THR 915 Ca 0.61 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 61.23 3dx2 s THR 915 Cb -0.16 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.50 3dx2 s THR 915 CO 0.50 -0.44 1.69 -1.28 -0.54 0.00 0.00 174.62 174.55 3dx2 h SER 916 N -0.55 -0.03 -0.34 3.99 0.87 -1.94 -0.84 113.55 114.72 3dx2 h SER 916 Ca -0.45 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 3dx2 h SER 916 Cb 1.27 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 3dx2 h SER 916 CO 0.63 -0.02 -0.09 0.00 -0.53 0.00 0.00 176.83 176.82 3dx2 h ALA 917 N 1.53 1.03 -0.08 6.23 0.00 -1.99 -0.47 119.26 125.51 3dx2 h ALA 917 Ca 0.34 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3dx2 h ALA 917 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dx2 h ALA 917 CO -0.45 0.59 -0.78 0.00 0.00 0.00 0.00 179.25 178.61 3dx2 h ALA 918 N 1.20 0.49 -0.18 0.00 0.00 -1.83 -0.58 119.26 118.36 3dx2 h ALA 918 Ca 0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3dx2 h ALA 918 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dx2 h ALA 918 CO 0.03 0.75 0.03 1.25 0.00 0.00 0.00 179.25 181.32 3dx2 h HIS 919 N 0.32 0.32 -0.90 0.00 2.76 -0.87 -0.54 115.15 116.25 3dx2 h HIS 919 Ca -0.04 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3dx2 h HIS 919 Cb 1.37 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 30.20 3dx2 h HIS 919 CO 0.06 0.46 0.59 0.87 -1.30 0.00 0.00 177.93 178.60 3dx2 h LYS 920 N 0.09 1.10 -0.72 5.26 1.57 -1.04 -0.41 116.57 122.42 3dx2 h LYS 920 Ca 0.06 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3dx2 h LYS 920 Cb 0.31 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3dx2 h LYS 920 CO 0.00 0.73 0.20 0.00 -0.57 0.00 0.00 179.45 179.81 3dx2 h ALA 921 N 1.47 0.95 -0.66 3.86 0.00 -0.79 -0.63 119.26 123.45 3dx2 h ALA 921 Ca 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dx2 h ALA 921 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3dx2 h ALA 921 CO -0.10 0.65 0.28 1.03 0.00 0.00 0.00 179.25 181.11 3dx2 h SER 922 N 1.08 0.90 -0.07 0.00 0.87 -0.46 -2.26 113.55 113.62 3dx2 h SER 922 Ca 0.23 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3dx2 h SER 922 Cb 0.34 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3dx2 h SER 922 CO -0.00 0.82 -0.05 1.56 -0.53 0.00 0.00 176.83 178.63 3dx2 h GLN 923 N 0.93 0.28 0.00 2.24 4.20 -0.60 -0.87 115.11 121.29 3dx2 h GLN 923 Ca 0.22 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3dx2 h GLN 923 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3dx2 h GLN 923 CO -0.02 0.35 -0.25 0.66 -0.67 0.00 0.00 178.83 178.89 3dx2 h SER 924 N 0.27 0.00 0.11 1.46 4.64 -0.53 0.76 113.55 120.26 3dx2 h SER 924 Ca 0.06 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.10 3dx2 h SER 924 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3dx2 h SER 924 CO 0.01 0.25 -1.45 -0.07 -0.87 0.00 0.00 176.83 174.70 3dx2 h LEU 925 N 0.00 0.36 0.12 5.97 3.38 -1.14 -3.34 115.31 120.65 3dx2 h LEU 925 Ca -0.00 -0.84 -0.31 0.00 0.09 0.00 0.00 57.88 56.81 3dx2 h LEU 925 Cb 0.57 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3dx2 h LEU 925 CO 0.03 1.63 -1.58 -0.07 0.09 0.00 0.00 178.44 178.54 3dx2 h LEU 926 N -0.32 0.38 -5.97 1.67 3.38 -1.07 -3.41 115.31 109.98 3dx2 h LEU 926 Ca -0.32 -0.56 -0.56 0.00 0.09 0.00 0.00 57.88 56.54 3dx2 h LEU 926 Cb 1.75 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.97 3dx2 h LEU 926 CO 0.04 1.47 -0.92 0.47 0.09 0.00 0.00 178.44 179.59 3dx2 n ASP 927 N -3.44 1.81 -4.48 -0.43 8.00 0.25 -4.59 116.55 113.66 3dx2 n ASP 927 Ca -0.18 -3.08 -0.29 0.00 0.71 0.00 0.00 54.79 51.96 3dx2 n ASP 927 Cb 1.05 -0.64 0.20 0.00 -0.02 0.00 0.00 41.12 41.71 3dx2 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3dx2 s PRO 928 N -2.03 -0.19 0.42 -0.24 0.04 -1.25 -4.70 135.00 127.05 3dx2 s PRO 928 Ca 0.39 0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 3dx2 s PRO 928 Cb 0.21 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.98 3dx2 s PRO 928 CO -0.08 -3.13 1.42 -0.51 0.04 0.00 0.00 177.00 174.74 3dx2 s LEU 929 N -6.70 4.20 0.11 -3.56 1.43 -1.26 -4.76 118.68 108.14 3dx2 s LEU 929 Ca 0.67 2.91 -0.16 0.00 -1.03 0.00 0.00 54.13 56.52 3dx2 s LEU 929 Cb -0.18 -3.84 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 3dx2 s LEU 929 CO 0.58 -1.02 0.54 -1.81 0.23 0.00 0.00 176.35 174.87 3dx2 s ASP 930 N -0.44 6.90 -0.10 2.29 1.01 -0.29 -4.90 116.67 121.15 3dx2 s ASP 930 Ca 0.58 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.99 3dx2 s ASP 930 Cb -0.44 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 3dx2 s ASP 930 CO 0.57 0.18 -0.21 -0.54 0.21 0.00 0.00 175.17 175.38 3dx2 s LYS 931 N -1.59 3.02 -0.04 8.23 1.02 -1.26 -0.81 119.74 128.31 3dx2 s LYS 931 Ca 0.33 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.54 3dx2 s LYS 931 Cb -0.17 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3dx2 s LYS 931 CO 0.18 0.24 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.60 3dx2 s PHE 932 N 0.22 1.87 -0.19 3.18 0.40 0.77 -0.92 117.98 123.30 3dx2 s PHE 932 Ca -0.14 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 3dx2 s PHE 932 Cb -0.17 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 3dx2 s PHE 932 CO 0.07 -0.15 -0.05 0.42 0.70 0.00 0.00 175.22 176.21 3dx2 s ILE 933 N -0.09 3.46 0.24 0.64 1.01 -0.12 -0.80 121.20 125.54 3dx2 s ILE 933 Ca -0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3dx2 s ILE 933 Cb -0.11 -2.54 -0.10 0.00 0.01 0.00 0.00 42.46 39.71 3dx2 s ILE 933 CO 0.02 0.45 1.47 0.12 0.00 0.00 0.00 174.94 177.00 3dx2 s PHE 934 N 1.05 2.99 -0.55 3.97 5.36 -0.70 -1.70 117.98 128.40 3dx2 s PHE 934 Ca 0.01 0.95 0.24 0.00 -0.96 0.00 0.00 56.93 57.16 3dx2 s PHE 934 Cb -0.15 -3.86 0.29 0.00 -0.34 0.00 0.00 43.02 38.96 3dx2 s PHE 934 CO -0.00 -2.86 1.29 0.00 -1.46 0.00 0.00 175.22 172.19 3dx2 h ALA 935 N 5.24 0.60 -5.15 11.12 0.00 -1.12 -3.47 119.26 126.48 3dx2 h ALA 935 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 3dx2 h ALA 935 Cb 1.22 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3dx2 h ALA 935 CO 0.80 0.00 -0.34 0.39 0.00 0.00 0.00 179.25 180.09 3dx2 n GLU 936 N -2.28 0.90 0.01 0.00 -0.58 -1.26 -5.06 120.64 112.37 3dx2 n GLU 936 Ca 0.03 -3.05 -0.15 0.00 -0.42 0.00 0.00 57.16 53.57 3dx2 n GLU 936 Cb 0.47 0.64 -0.04 0.00 -0.57 0.00 0.00 31.44 31.94 3dx2 n GLU 936 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3dx2 h ASN 937 N 0.85 0.76 -3.42 1.62 2.35 -1.97 -3.44 115.58 112.32 3dx2 h ASN 937 Ca -0.33 -0.52 -0.43 0.00 -0.55 0.00 0.00 56.30 54.46 3dx2 h ASN 937 Cb 1.08 -0.23 -0.34 0.00 0.05 0.00 0.00 38.32 38.88 3dx2 h ASN 937 CO 0.54 1.30 -0.78 -0.70 -1.65 0.00 0.00 177.43 176.14 3dx2 s GLU 938 N -3.63 0.99 -0.54 0.81 2.12 -1.26 -4.96 118.70 112.23 3dx2 s GLU 938 Ca -0.08 -0.15 -0.14 0.00 0.36 0.00 0.00 54.97 54.96 3dx2 s GLU 938 Cb 0.09 -0.98 0.13 0.00 0.26 0.00 0.00 34.13 33.63 3dx2 s GLU 938 CO 0.88 -0.09 0.48 -0.46 -0.54 0.00 0.00 175.26 175.53 3dx2 s TRP 939 N 0.99 3.33 0.11 5.30 -0.00 -1.26 -5.06 118.94 122.35 3dx2 s TRP 939 Ca -0.10 -1.51 -0.30 0.00 -0.00 0.00 0.00 56.10 54.19 3dx2 s TRP 939 Cb -0.14 -3.72 -0.06 0.00 -0.00 0.00 0.00 33.47 29.55 3dx2 s TRP 939 CO -0.00 -1.01 0.96 0.42 -0.00 0.00 0.00 176.95 177.32 3dx2 s ILE 940 N 1.42 4.52 0.00 5.86 1.01 -1.26 -3.28 121.20 129.47 3dx2 s ILE 940 Ca 0.05 2.06 0.00 0.00 0.00 0.00 0.00 60.65 62.76 3dx2 s ILE 940 Cb -0.28 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.87 3dx2 s ILE 940 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3dx2 n GLY 941 N 2.28 0.69 3.70 6.18 0.00 -1.26 -4.82 105.19 111.96 3dx2 n GLY 941 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3dx2 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx2 n ALA 942 N 0.01 1.34 -2.52 4.61 0.00 -1.20 -1.18 120.51 121.56 3dx2 n ALA 942 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.49 3dx2 n ALA 942 Cb 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.09 3dx2 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dx2 s GLN 943 N -2.07 1.87 0.12 0.00 -0.21 0.42 -4.86 119.66 114.93 3dx2 s GLN 943 Ca 0.58 -1.49 0.13 0.00 0.02 0.00 0.00 55.36 54.60 3dx2 s GLN 943 Cb -0.53 -1.98 -0.11 0.00 1.00 0.00 0.00 33.01 31.39 3dx2 s GLN 943 CO 0.60 0.38 1.10 0.78 -2.12 0.00 0.00 175.29 176.03 3dx2 h GLY 944 N 2.61 0.00 -3.96 3.09 0.00 -1.89 -3.43 103.07 99.49 3dx2 h GLY 944 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3dx2 h GLY 944 CO 0.55 0.00 0.19 1.62 0.00 0.00 0.00 176.54 178.90 3dx2 s GLN 945 N -2.82 1.07 -0.01 4.80 0.74 -1.26 -1.09 119.66 121.09 3dx2 s GLN 945 Ca -0.00 0.23 0.02 0.00 0.05 0.00 0.00 55.36 55.66 3dx2 s GLN 945 Cb 0.09 0.50 -0.00 0.00 1.10 0.00 0.00 33.01 34.70 3dx2 s GLN 945 CO 0.80 -0.34 -0.08 0.12 -0.55 0.00 0.00 175.29 175.24 3dx2 s PHE 946 N -1.30 0.77 0.00 1.67 5.36 -0.33 -4.88 117.98 119.28 3dx2 s PHE 946 Ca -0.11 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3dx2 s PHE 946 Cb -0.00 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 3dx2 s PHE 946 CO 0.09 -0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 3dx2 n GLY 947 N 3.09 0.86 0.32 13.12 0.00 -1.26 -0.76 105.19 120.56 3dx2 n GLY 947 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 3dx2 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dx2 h GLY 948 N 0.00 0.00 -1.03 -0.02 0.00 -1.89 -0.56 103.07 99.56 3dx2 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dx2 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3dx2 n ASP 949 N -3.70 2.06 -4.75 0.19 5.75 -1.26 -4.93 116.55 109.90 3dx2 n ASP 949 Ca -0.02 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.66 3dx2 n ASP 949 Cb 0.17 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3dx2 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3dx2 s HIS 950 N -1.95 3.27 0.39 2.11 3.76 -0.22 -4.96 115.29 117.68 3dx2 s HIS 950 Ca 0.34 1.42 -0.28 0.00 -0.15 0.00 0.00 55.06 56.40 3dx2 s HIS 950 Cb 0.20 -3.54 -0.11 0.00 1.11 0.00 0.00 32.58 30.24 3dx2 s HIS 950 CO 0.32 -1.50 1.49 -2.14 -0.85 0.00 0.00 174.74 172.05 3dx2 s PRO 951 N -1.09 4.04 -0.53 8.40 0.02 -1.26 -4.68 135.00 139.90 3dx2 s PRO 951 Ca 0.50 2.57 -0.15 0.00 0.02 0.00 0.00 61.00 63.95 3dx2 s PRO 951 Cb -0.36 -2.92 0.13 0.00 0.02 0.00 0.00 34.50 31.36 3dx2 s PRO 951 CO 0.44 -0.59 0.48 0.45 -0.33 0.00 0.00 177.00 177.46 3dx2 s SER 952 N -0.17 6.14 0.63 2.53 0.15 -1.26 -4.63 113.70 117.09 3dx2 s SER 952 Ca 0.54 -1.80 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 3dx2 s SER 952 Cb -0.47 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 3dx2 s SER 952 CO 0.63 -0.84 1.04 0.00 1.20 0.00 0.00 173.24 175.27 3dx2 s ALA 953 N 1.57 2.87 0.45 5.45 0.00 0.43 -2.89 121.76 129.64 3dx2 s ALA 953 Ca 0.03 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 3dx2 s ALA 953 Cb -0.30 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3dx2 s ALA 953 CO 0.03 -0.87 0.87 -2.13 0.00 0.00 0.00 175.76 173.65 3dx2 n ARG 954 N -2.67 1.06 0.31 0.00 0.63 -1.26 -4.68 116.66 110.05 3dx2 n ARG 954 Ca 0.07 0.39 0.18 0.00 -0.92 0.00 0.00 57.85 57.57 3dx2 n ARG 954 Cb 0.54 -1.90 1.02 0.00 0.45 0.00 0.00 32.46 32.56 3dx2 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3dx2 h GLU 955 N 1.18 0.00 -0.00 -0.14 4.11 -1.97 -0.40 114.58 117.36 3dx2 h GLU 955 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3dx2 h GLU 955 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3dx2 h GLU 955 CO 0.54 0.01 -0.14 -0.40 0.07 0.00 0.00 179.01 179.10 3dx2 n ASP 956 N -3.49 0.57 -4.78 3.06 5.75 -1.26 -4.84 116.55 111.57 3dx2 n ASP 956 Ca -0.03 -0.61 -0.36 0.00 -0.01 0.00 0.00 54.79 53.78 3dx2 n ASP 956 Cb 0.10 -0.04 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 3dx2 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3dx2 s LEU 957 N -2.49 4.17 0.06 -2.12 2.96 -0.16 -0.96 118.68 120.14 3dx2 s LEU 957 Ca 0.27 0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 3dx2 s LEU 957 Cb 0.20 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3dx2 s LEU 957 CO 0.49 0.30 -0.17 -0.62 -1.32 0.00 0.00 176.35 175.03 3dx2 s ASP 958 N -0.39 2.08 -0.91 3.68 2.15 0.75 -4.76 116.67 119.27 3dx2 s ASP 958 Ca 0.11 -0.56 -0.17 0.00 0.43 0.00 0.00 52.55 52.36 3dx2 s ASP 958 Cb -0.12 -0.13 0.17 0.00 -0.30 0.00 0.00 42.92 42.55 3dx2 s ASP 958 CO 0.01 0.05 1.01 -0.69 -0.17 0.00 0.00 175.17 175.39 3dx2 s VAL 959 N -1.00 5.10 0.30 1.11 1.01 -1.26 -1.06 120.40 124.60 3dx2 s VAL 959 Ca 0.03 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.03 3dx2 s VAL 959 Cb -0.09 -4.67 0.16 0.00 0.00 0.00 0.00 36.38 31.78 3dx2 s VAL 959 CO 0.02 -1.33 1.85 0.28 0.00 0.00 0.00 175.10 175.92 3dx2 h SER 960 N 8.32 0.65 -3.65 3.32 0.02 -1.09 -3.42 113.55 117.70 3dx2 h SER 960 Ca 0.15 -0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 3dx2 h SER 960 Cb 1.02 -0.17 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 3dx2 h SER 960 CO 0.98 0.67 -0.72 -0.69 -1.14 0.00 0.00 176.83 175.93 3dx2 s VAL 961 N -5.11 -0.02 -0.09 2.27 1.01 -1.14 -4.96 120.40 112.37 3dx2 s VAL 961 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3dx2 s VAL 961 Cb 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.51 3dx2 s VAL 961 CO 0.78 0.04 -0.07 -0.32 0.00 0.00 0.00 175.10 175.53 3dx2 s MET 962 N 0.42 1.34 -0.08 2.72 0.00 -1.26 -1.14 119.30 121.31 3dx2 s MET 962 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 55.69 55.41 3dx2 s MET 962 Cb -0.05 -1.38 0.05 0.00 0.00 0.00 0.00 34.83 33.44 3dx2 s MET 962 CO -0.01 -0.20 0.16 0.50 0.00 0.00 0.00 175.02 175.46 3dx2 s ARG 963 N 1.48 0.04 0.17 4.11 3.52 0.24 -3.31 118.95 125.20 3dx2 s ARG 963 Ca -0.00 0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.83 3dx2 s ARG 963 Cb -0.13 -0.27 -0.08 0.00 -1.56 0.00 0.00 34.95 32.91 3dx2 s ARG 963 CO -0.05 -0.29 1.23 0.50 -0.81 0.00 0.00 175.30 175.88 3dx2 s ARG 964 N 2.14 4.46 0.00 5.12 3.52 -1.26 -0.31 118.95 132.62 3dx2 s ARG 964 Ca 0.02 1.90 0.18 0.00 -0.13 0.00 0.00 55.73 57.69 3dx2 s ARG 964 Cb -0.12 -3.24 -0.11 0.00 -1.56 0.00 0.00 34.95 29.92 3dx2 s ARG 964 CO -0.06 -0.15 0.82 1.28 -0.81 0.00 0.00 175.30 176.39 3dx2 n LEU 965 N 2.75 1.23 -4.32 -0.88 4.77 0.61 -4.91 117.00 116.25 3dx2 n LEU 965 Ca 0.05 -0.62 -0.28 0.00 -0.03 0.00 0.00 56.01 55.14 3dx2 n LEU 965 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3dx2 n LEU 965 CO 0.56 0.26 -0.55 0.42 -1.33 0.00 0.00 177.39 176.75 3dx2 s THR 966 N -2.40 2.00 0.83 -5.08 -4.23 -1.24 -4.95 115.64 100.58 3dx2 s THR 966 Ca 0.10 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3dx2 s THR 966 Cb 0.14 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 72.33 3dx2 s THR 966 CO 0.60 0.26 1.18 -0.54 -0.54 0.00 0.00 174.62 175.58 3dx2 s LYS 967 N -1.38 1.80 0.53 3.99 1.02 -1.26 -4.88 119.74 119.56 3dx2 s LYS 967 Ca 0.11 0.12 0.30 0.00 0.02 0.00 0.00 55.97 56.52 3dx2 s LYS 967 Cb -0.10 -1.93 1.42 0.00 -0.52 0.00 0.00 37.83 36.70 3dx2 s LYS 967 CO 0.03 -1.71 2.03 0.66 -0.92 0.00 0.00 175.35 175.43 3dx2 h SER 968 N -1.14 0.00 0.74 2.83 4.64 -1.97 -2.51 113.55 116.13 3dx2 h SER 968 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3dx2 h SER 968 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3dx2 h SER 968 CO 0.65 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 175.17 3dx2 n SER 969 N -3.38 0.00 -4.69 4.97 3.41 -1.26 -4.80 113.62 107.87 3dx2 n SER 969 Ca -0.01 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 3dx2 n SER 969 Cb 0.28 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3dx2 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dx2 s ALA 970 N -2.75 3.56 0.20 7.33 0.00 -0.95 -4.92 121.76 124.23 3dx2 s ALA 970 Ca 0.22 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 3dx2 s ALA 970 Cb 0.19 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.95 3dx2 s ALA 970 CO 0.48 -0.88 1.79 -0.22 0.00 0.00 0.00 175.76 176.93 3dx2 h LYS 971 N 7.75 0.53 -4.55 0.00 3.64 -1.91 -3.36 116.57 118.67 3dx2 h LYS 971 Ca -0.36 -0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.27 3dx2 h LYS 971 Cb 1.17 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.64 3dx2 h LYS 971 CO 0.90 0.35 -0.48 0.99 -2.27 0.00 0.00 179.45 178.94 3dx2 s THR 972 N -6.11 4.87 0.40 1.00 2.01 -1.26 -1.52 115.64 115.04 3dx2 s THR 972 Ca -0.13 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 3dx2 s THR 972 Cb 0.15 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3dx2 s THR 972 CO 0.75 -0.27 0.99 -1.10 -0.69 0.00 0.00 174.62 174.29 3dx2 s GLN 973 N 1.61 4.24 -0.03 4.92 -1.52 0.07 -4.83 119.66 124.12 3dx2 s GLN 973 Ca 0.03 1.30 0.02 0.00 -1.95 0.00 0.00 55.36 54.77 3dx2 s GLN 973 Cb -0.19 -2.41 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 3dx2 s GLN 973 CO 0.08 -0.04 -0.07 1.03 -0.25 0.00 0.00 175.29 176.04 3dx2 s ARG 974 N -2.74 0.83 -0.07 2.91 0.52 -1.26 -0.20 118.95 118.94 3dx2 s ARG 974 Ca 0.59 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 3dx2 s ARG 974 Cb -0.16 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.53 3dx2 s ARG 974 CO 0.20 0.07 -0.14 0.08 0.02 0.00 0.00 175.30 175.53 3dx2 s VAL 975 N 0.30 1.26 -0.06 3.52 1.01 -0.15 -0.29 120.40 126.00 3dx2 s VAL 975 Ca -0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3dx2 s VAL 975 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3dx2 s VAL 975 CO 0.00 0.38 0.10 -0.83 0.00 0.00 0.00 175.10 174.75 3dx2 s GLY 976 N 0.62 2.05 -0.03 4.51 0.00 0.58 -0.92 107.32 114.13 3dx2 s GLY 976 Ca -0.15 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3dx2 s GLY 976 CO 0.04 -0.58 -0.10 -0.19 0.00 0.00 0.00 173.10 172.28 3dx2 s TYR 977 N -1.10 1.06 -0.22 1.90 1.51 0.21 -0.59 117.35 120.12 3dx2 s TYR 977 Ca 0.19 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.92 3dx2 s TYR 977 Cb -0.12 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 3dx2 s TYR 977 CO 0.09 -0.11 -0.00 0.08 -1.11 0.00 0.00 175.55 174.49 3dx2 s VAL 978 N 0.20 3.78 -0.17 0.71 1.01 -0.29 -0.89 120.40 124.75 3dx2 s VAL 978 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3dx2 s VAL 978 Cb -0.09 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3dx2 s VAL 978 CO 0.01 0.40 -0.02 -0.76 0.00 0.00 0.00 175.10 174.73 3dx2 s LEU 979 N 1.37 3.30 -0.09 3.92 1.43 0.67 -0.40 118.68 128.88 3dx2 s LEU 979 Ca 0.04 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3dx2 s LEU 979 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dx2 s LEU 979 CO 0.00 0.14 -0.16 -2.28 0.23 0.00 0.00 176.35 174.28 3dx2 s HIS 980 N 0.52 1.91 -0.18 0.29 5.65 -0.23 -0.96 115.29 122.30 3dx2 s HIS 980 Ca -0.02 -0.80 -0.03 0.00 0.25 0.00 0.00 55.06 54.46 3dx2 s HIS 980 Cb -0.14 -1.35 -0.02 0.00 -1.18 0.00 0.00 32.58 29.89 3dx2 s HIS 980 CO 0.02 -0.38 -0.06 0.50 -0.65 0.00 0.00 174.74 174.17 3dx2 s ARG 981 N 0.69 3.46 0.50 2.88 3.52 -0.70 -0.17 118.95 129.13 3dx2 s ARG 981 Ca -0.13 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 3dx2 s ARG 981 Cb -0.16 -2.90 0.11 0.00 -1.56 0.00 0.00 34.95 30.44 3dx2 s ARG 981 CO 0.03 0.01 0.68 -2.37 -0.81 0.00 0.00 175.30 172.84 3dx2 n THR 982 N 4.17 0.00 -4.00 4.11 5.66 -0.13 0.19 114.28 124.27 3dx2 n THR 982 Ca -0.18 -0.60 -0.28 0.00 -3.05 0.00 0.00 64.05 59.94 3dx2 n THR 982 Cb 0.52 -1.60 -0.17 0.00 -1.55 0.00 0.00 70.33 67.53 3dx2 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3dx2 s ASN 983 N -3.53 2.38 -0.01 1.09 2.47 -1.26 -3.64 114.94 112.44 3dx2 s ASN 983 Ca 0.40 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 53.30 3dx2 s ASN 983 Cb -0.01 -0.99 -0.04 0.00 -1.45 0.00 0.00 41.25 38.76 3dx2 s ASN 983 CO 0.27 -0.08 0.03 -0.76 -3.72 0.00 0.00 177.10 172.84 3dx2 s LEU 984 N 1.55 3.64 0.31 3.21 1.43 -1.26 -4.22 118.68 123.34 3dx2 s LEU 984 Ca 0.04 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 3dx2 s LEU 984 Cb -0.13 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 3dx2 s LEU 984 CO -0.09 0.28 1.46 -0.04 0.23 0.00 0.00 176.35 178.20 3dx2 s MET 985 N -1.57 4.21 -0.30 1.70 -1.94 -0.11 -4.97 119.30 116.32 3dx2 s MET 985 Ca 0.20 2.42 -0.25 0.00 -1.71 0.00 0.00 55.69 56.36 3dx2 s MET 985 Cb -0.12 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.69 3dx2 s MET 985 CO 0.11 -0.46 0.86 -0.65 -0.01 0.00 0.00 175.02 174.87 3dx2 s GLN 986 N -1.16 4.00 -0.10 2.03 -1.52 -1.26 -4.63 119.66 117.03 3dx2 s GLN 986 Ca 0.56 0.73 0.13 0.00 -1.95 0.00 0.00 55.36 54.84 3dx2 s GLN 986 Cb -0.44 -3.72 0.22 0.00 -0.22 0.00 0.00 33.01 28.85 3dx2 s GLN 986 CO 0.52 -0.72 1.11 0.00 -0.25 0.00 0.00 175.29 175.95 3dx2 n GLY 988 N -0.98 0.74 3.62 0.00 0.00 -1.26 -4.69 105.19 102.62 3dx2 n GLY 988 Ca 0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3dx2 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dx2 s THR 989 N -2.00 4.64 0.34 2.61 2.01 -1.26 -5.00 115.64 116.97 3dx2 s THR 989 Ca 0.00 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 3dx2 s THR 989 Cb 0.00 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.09 3dx2 s THR 989 CO 0.00 -0.41 1.26 -2.65 -0.69 0.00 0.00 174.62 172.13 3dx2 n PRO 990 N 6.60 2.05 -2.69 4.92 -0.02 -1.26 -4.93 135.00 139.66 3dx2 n PRO 990 Ca 0.08 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 3dx2 n PRO 990 Cb 0.48 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3dx2 n PRO 990 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3dx2 s GLU 991 N -1.86 4.66 0.18 -0.52 2.12 -1.26 -5.05 118.70 116.97 3dx2 s GLU 991 Ca 0.56 1.49 -0.19 0.00 0.36 0.00 0.00 54.97 57.19 3dx2 s GLU 991 Cb -0.58 -3.38 -0.08 0.00 0.26 0.00 0.00 34.13 30.36 3dx2 s GLU 991 CO 0.62 0.14 0.66 -1.21 -0.54 0.00 0.00 175.26 174.93 3dx2 s GLU 992 N 0.15 4.19 0.00 4.30 2.02 -1.26 -5.04 118.70 123.07 3dx2 s GLU 992 Ca 0.48 0.77 0.00 0.00 0.02 0.00 0.00 54.97 56.24 3dx2 s GLU 992 Cb -0.24 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3dx2 s GLU 992 CO 0.30 0.47 0.00 -2.39 0.02 0.00 0.00 175.26 173.66 3dx2 n HIS 993 N 0.96 0.00 -1.27 1.61 1.44 -1.26 -5.00 115.22 111.70 3dx2 n HIS 993 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 3dx2 n HIS 993 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 3dx2 n HIS 993 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3dx2 n THR 994 N 0.00 -2.02 -2.73 0.61 -2.24 -1.26 -4.97 114.28 101.67 3dx2 n THR 994 Ca 0.00 0.93 -0.33 0.00 -2.27 0.00 0.00 64.05 62.38 3dx2 n THR 994 Cb 0.00 -1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 66.87 3dx2 n THR 994 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dx2 s GLN 995 N -3.31 4.15 0.15 -0.78 -0.21 -1.14 -4.93 119.66 113.58 3dx2 s GLN 995 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 55.36 56.20 3dx2 s GLN 995 Cb 0.00 -2.17 -0.07 0.00 1.00 0.00 0.00 33.01 31.78 3dx2 s GLN 995 CO 0.00 -0.10 1.05 0.15 -2.12 0.00 0.00 175.29 174.27 3dx2 s LYS 996 N -3.32 4.63 -0.28 2.91 -0.14 -1.26 -4.25 119.74 118.04 3dx2 s LYS 996 Ca 0.62 1.62 -0.13 0.00 -1.36 0.00 0.00 55.97 56.72 3dx2 s LYS 996 Cb -0.10 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 3dx2 s LYS 996 CO 0.16 0.12 0.28 -1.17 -0.76 0.00 0.00 175.35 173.99 3dx2 s LEU 997 N -0.19 4.03 -0.41 3.17 2.96 -1.26 -4.91 118.68 122.07 3dx2 s LEU 997 Ca 0.49 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 3dx2 s LEU 997 Cb -0.27 -2.28 0.11 0.00 0.50 0.00 0.00 46.19 44.25 3dx2 s LEU 997 CO 0.33 -0.12 0.21 -0.62 -1.32 0.00 0.00 176.35 174.83 3dx2 s ASP 998 N 1.70 5.25 0.52 3.68 2.15 -1.26 -4.54 116.67 124.17 3dx2 s ASP 998 Ca 0.11 -2.06 0.25 0.00 0.43 0.00 0.00 52.55 51.28 3dx2 s ASP 998 Cb -0.16 -1.83 1.45 0.00 -0.30 0.00 0.00 42.92 42.09 3dx2 s ASP 998 CO 0.10 -0.54 2.11 -0.37 -0.17 0.00 0.00 175.17 176.31 3dx2 h VAL 999 N 6.33 0.69 0.00 1.11 -1.51 -1.96 -2.31 116.25 118.61 3dx2 h VAL 999 Ca -0.12 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3dx2 h VAL 999 Cb 1.04 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3dx2 h VAL 999 CO 0.70 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 177.13 3dx2 n HIS 1001N -2.62 0.94 0.15 0.00 8.25 -0.87 -4.47 115.22 116.60 3dx2 n HIS 1001Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 3dx2 n HIS 1001Cb 0.19 -0.25 0.24 0.00 1.12 0.00 0.00 29.99 31.29 3dx2 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dx2 h LEU 1002N 2.18 0.00 -9.27 2.41 3.38 -1.49 -3.44 115.31 109.08 3dx2 h LEU 1002Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3dx2 h LEU 1002Cb 1.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 3dx2 h LEU 1002CO 0.18 0.53 -0.74 -0.76 0.09 0.00 0.00 178.44 177.75 3dx2 s LEU 1003N -7.70 3.05 0.91 1.67 1.43 -1.26 -5.13 118.68 111.66 3dx2 s LEU 1003Ca -0.02 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3dx2 s LEU 1003Cb 0.13 -1.84 0.15 0.00 0.03 0.00 0.00 46.19 44.66 3dx2 s LEU 1003CO 0.74 0.17 1.23 -2.16 0.23 0.00 0.00 176.35 176.57 3dx2 s PRO 1004N -2.25 1.07 -1.47 1.29 0.04 -1.26 -4.24 135.00 128.19 3dx2 s PRO 1004Ca 0.22 -0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.07 3dx2 s PRO 1004Cb -0.11 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.59 3dx2 s PRO 1004CO 0.14 -2.17 0.82 0.09 0.04 0.00 0.00 177.00 175.92 3dx2 n ASN 1005N -3.66 -5.74 -4.73 6.66 5.03 -1.26 -4.81 115.26 106.74 3dx2 n ASN 1005Ca 0.11 -0.44 -0.42 0.00 0.87 0.00 0.00 54.58 54.70 3dx2 n ASN 1005Cb 0.60 -4.60 -0.03 0.00 -1.02 0.00 0.00 39.78 34.73 3dx2 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dx2 s VAL 1006N -3.21 2.82 -0.01 2.41 0.11 -1.26 -2.46 120.40 118.81 3dx2 s VAL 1006Ca 0.45 0.65 0.06 0.00 -2.93 0.00 0.00 61.98 60.21 3dx2 s VAL 1006Cb -0.21 -3.42 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 3dx2 s VAL 1006CO 0.56 0.08 0.12 0.00 -3.33 0.00 0.00 175.10 172.53 3dx2 n ALA 1007N 2.98 2.19 -3.54 1.54 0.00 0.13 -4.92 120.51 118.89 3dx2 n ALA 1007Ca 0.09 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 3dx2 n ALA 1007Cb 0.40 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 3dx2 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dx2 s ARG 1008N -2.38 0.98 -0.06 0.00 3.52 -1.15 -4.98 118.95 114.88 3dx2 s ARG 1008Ca -0.02 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 3dx2 s ARG 1008Cb 0.04 0.47 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 3dx2 s ARG 1008CO 0.23 -0.29 -0.04 0.00 -0.81 0.00 0.00 175.30 174.39 3dx2 s GLU 1010N 1.18 1.44 0.15 0.00 2.02 -0.35 -0.94 118.70 122.19 3dx2 s GLU 1010Ca -0.07 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.06 3dx2 s GLU 1010Cb -0.14 -1.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.67 3dx2 s GLU 1010CO -0.01 0.32 0.89 0.50 0.02 0.00 0.00 175.26 176.97 3dx2 s ARG 1011N -0.25 4.69 0.28 1.61 3.52 0.06 -0.60 118.95 128.25 3dx2 s ARG 1011Ca 0.03 1.34 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 3dx2 s ARG 1011Cb -0.08 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 29.93 3dx2 s ARG 1011CO 0.00 0.39 0.04 0.95 -0.81 0.00 0.00 175.30 175.86 3dx2 s THR 1012N -0.59 1.05 0.97 4.11 -4.23 0.08 -0.04 115.64 117.00 3dx2 s THR 1012Ca 0.42 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3dx2 s THR 1012Cb -0.24 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.16 3dx2 s THR 1012CO 0.29 -0.13 0.93 0.35 -0.54 0.00 0.00 174.62 175.51 3dx2 n THR 1013N -0.55 0.00 0.30 3.99 -2.24 -0.55 -3.92 114.28 111.32 3dx2 n THR 1013Ca -0.03 -0.12 0.17 0.00 -2.27 0.00 0.00 64.05 61.80 3dx2 n THR 1013Cb 0.65 -0.91 0.78 0.00 -2.10 0.00 0.00 70.33 68.76 3dx2 n THR 1013CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx2 h LEU 1014N -1.97 0.00 -0.30 3.22 3.38 -1.74 0.52 115.31 118.42 3dx2 h LEU 1014Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3dx2 h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3dx2 h LEU 1014CO 0.41 0.00 -0.16 0.35 0.09 0.00 0.00 178.44 179.13 3dx2 n THR 1015N -2.84 0.00 -1.00 0.22 -2.24 -1.26 -4.93 114.28 102.23 3dx2 n THR 1015Ca -0.00 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3dx2 n THR 1015Cb 0.20 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3dx2 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dx2 n PHE 1016N -0.89 0.00 0.46 4.78 3.72 0.17 -4.92 117.46 120.79 3dx2 n PHE 1016Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3dx2 n PHE 1016Cb 0.30 -0.67 0.08 0.00 -0.94 0.00 0.00 39.48 38.25 3dx2 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dx2 n LEU 1017N -0.01 0.69 -3.92 4.37 4.77 -1.26 -4.84 117.00 116.80 3dx2 n LEU 1017Ca -0.00 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 3dx2 n LEU 1017Cb 0.16 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 3dx2 n LEU 1017CO 0.00 -0.05 -0.40 -1.58 -1.33 0.00 0.00 177.39 174.03 3dx2 s GLN 1018N -3.23 0.54 -0.06 3.23 0.74 -1.26 -5.01 119.66 114.61 3dx2 s GLN 1018Ca 0.04 -0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.03 3dx2 s GLN 1018Cb 0.13 -0.57 -0.02 0.00 1.10 0.00 0.00 33.01 33.65 3dx2 s GLN 1018CO 0.77 0.02 0.94 -0.80 -0.55 0.00 0.00 175.29 175.67 3dx2 s ASN 1019N 0.37 7.24 -0.13 6.67 0.01 -1.26 -1.47 114.94 126.37 3dx2 s ASN 1019Ca -0.04 1.51 0.12 0.00 -0.71 0.00 0.00 52.86 53.74 3dx2 s ASN 1019Cb -0.08 -2.53 -0.17 0.00 0.41 0.00 0.00 41.25 38.87 3dx2 s ASN 1019CO -0.00 -0.33 0.07 0.18 -1.51 0.00 0.00 177.10 175.51 3dx2 n LEU 1020N 4.42 0.00 -3.66 0.60 4.77 0.94 -4.96 117.00 119.12 3dx2 n LEU 1020Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 3dx2 n LEU 1020Cb 0.50 0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 3dx2 n LEU 1020CO 0.51 0.31 0.25 -0.70 -1.33 0.00 0.00 177.39 176.43 3dx2 s GLU 1021N -2.38 0.61 -0.22 3.23 2.12 -1.04 -4.96 118.70 116.05 3dx2 s GLU 1021Ca -0.07 1.06 -0.22 0.00 0.36 0.00 0.00 54.97 56.10 3dx2 s GLU 1021Cb 0.04 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 3dx2 s GLU 1021CO 0.56 -0.15 0.70 -1.58 -0.54 0.00 0.00 175.26 174.26 3dx2 s HIS 1022N 1.43 3.33 -0.16 5.30 5.65 -1.26 -0.76 115.29 128.83 3dx2 s HIS 1022Ca -0.09 0.98 -0.15 0.00 0.25 0.00 0.00 55.06 56.05 3dx2 s HIS 1022Cb -0.06 -2.90 -0.04 0.00 -1.18 0.00 0.00 32.58 28.40 3dx2 s HIS 1022CO -0.16 -0.28 0.36 -0.51 -0.65 0.00 0.00 174.74 173.50 3dx2 s LEU 1023N 2.35 4.24 0.30 8.88 1.43 -0.12 -4.99 118.68 130.77 3dx2 s LEU 1023Ca 0.30 0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 3dx2 s LEU 1023Cb -0.16 -2.49 -0.12 0.00 0.03 0.00 0.00 46.19 43.46 3dx2 s LEU 1023CO 0.09 0.04 1.54 0.47 0.23 0.00 0.00 176.35 178.73 3dx2 n ASP 1024N 3.75 3.67 -0.03 2.29 8.00 -1.26 -1.87 116.55 131.10 3dx2 n ASP 1024Ca -0.10 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.56 3dx2 n ASP 1024Cb 0.52 -1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3dx2 n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx2 n GLY 1025N 1.83 0.20 2.75 0.44 0.00 -1.26 -2.59 105.19 106.55 3dx2 n GLY 1025Ca 0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3dx2 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dx2 n MET 1026N -0.43 -3.17 -4.01 1.61 2.81 -0.78 -4.97 117.12 108.18 3dx2 n MET 1026Ca -0.00 0.85 -0.35 0.00 -1.81 0.00 0.00 57.70 56.38 3dx2 n MET 1026Cb 0.33 -5.58 -0.12 0.00 -0.71 0.00 0.00 33.22 27.14 3dx2 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3dx2 s VAL 1027N -3.01 4.18 -0.35 2.03 1.01 -1.07 -4.59 120.40 118.59 3dx2 s VAL 1027Ca 0.16 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 3dx2 s VAL 1027Cb -0.07 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3dx2 s VAL 1027CO 0.20 0.42 0.71 0.00 0.00 0.00 0.00 175.10 176.42 3dx2 s ALA 1028N 1.00 3.45 0.60 5.51 0.00 -1.26 -4.68 121.76 126.38 3dx2 s ALA 1028Ca 0.02 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 3dx2 s ALA 1028Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3dx2 s ALA 1028CO 0.02 -1.38 1.17 -2.14 0.00 0.00 0.00 175.76 173.44 3dx2 s PRO 1029N 2.89 2.99 0.80 0.00 0.02 -1.26 -4.46 135.00 135.97 3dx2 s PRO 1029Ca 0.28 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 3dx2 s PRO 1029Cb -0.14 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.51 3dx2 s PRO 1029CO 0.15 -1.16 1.09 -1.21 -0.33 0.00 0.00 177.00 175.54 3dx2 s GLU 1030N -3.45 2.07 0.34 5.54 2.02 -1.26 -5.02 118.70 118.95 3dx2 s GLU 1030Ca 0.75 1.00 0.07 0.00 0.02 0.00 0.00 54.97 56.80 3dx2 s GLU 1030Cb -0.27 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 3dx2 s GLU 1030CO 0.33 -1.72 0.42 0.14 0.02 0.00 0.00 175.26 174.45 3dx2 s VAL 1031N -2.96 3.83 0.64 2.63 -7.23 -1.26 -5.11 120.40 110.94 3dx2 s VAL 1031Ca 0.61 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 3dx2 s VAL 1031Cb -0.17 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 3dx2 s VAL 1031CO 0.56 -0.15 1.04 0.00 -0.31 0.00 0.00 175.10 176.24 3dx2 n PRO 1033N -2.80 1.97 -0.92 0.00 -0.02 -1.26 -1.21 135.00 130.76 3dx2 n PRO 1033Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3dx2 n PRO 1033Cb 0.55 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3dx2 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dx2 n MET 1034N 1.97 -0.50 -3.98 -0.52 2.81 0.13 -4.92 117.12 112.11 3dx2 n MET 1034Ca 0.12 0.12 -0.26 0.00 -1.81 0.00 0.00 57.70 55.87 3dx2 n MET 1034Cb 0.31 -3.62 -0.04 0.00 -0.71 0.00 0.00 33.22 29.17 3dx2 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3dx2 s GLU 1035N -0.65 3.29 -0.04 0.03 0.41 -0.35 -4.94 118.70 116.46 3dx2 s GLU 1035Ca 0.00 -0.68 0.02 0.00 -0.41 0.00 0.00 54.97 53.90 3dx2 s GLU 1035Cb 0.00 -2.88 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 3dx2 s GLU 1035CO 0.00 0.51 -0.10 0.99 -0.49 0.00 0.00 175.26 176.17 3dx2 s THR 1036N -1.76 0.88 0.14 3.63 2.01 -1.26 -1.73 115.64 117.56 3dx2 s THR 1036Ca 0.34 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3dx2 s THR 1036Cb -0.11 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3dx2 s THR 1036CO 0.27 0.28 -0.07 0.00 -0.69 0.00 0.00 174.62 174.41 3dx2 s ALA 1037N 0.37 1.28 0.00 7.40 0.00 -0.13 -4.98 121.76 125.70 3dx2 s ALA 1037Ca -0.07 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.49 3dx2 s ALA 1037Cb -0.11 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3dx2 s ALA 1037CO 0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 175.76 175.40 3dx2 s ALA 1038N -3.48 1.59 0.05 0.00 0.00 -1.25 -0.24 121.76 118.43 3dx2 s ALA 1038Ca 0.16 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3dx2 s ALA 1038Cb 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3dx2 s ALA 1038CO -0.01 0.38 -0.12 0.71 0.00 0.00 0.00 175.76 176.72 3dx2 s TYR 1039N -0.55 1.03 -0.12 0.00 2.02 -0.07 -0.74 117.35 118.93 3dx2 s TYR 1039Ca 0.07 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3dx2 s TYR 1039Cb -0.08 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 3dx2 s TYR 1039CO -0.00 0.01 -0.16 0.08 -1.57 0.00 0.00 175.55 173.91 3dx2 s VAL 1040N -1.09 1.60 -0.12 0.71 1.01 0.23 -0.62 120.40 122.12 3dx2 s VAL 1040Ca -0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3dx2 s VAL 1040Cb -0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3dx2 s VAL 1040CO 0.01 0.46 0.13 -0.94 0.00 0.00 0.00 175.10 174.77 3dx2 s SER 1041N 1.04 6.33 -0.04 3.32 1.04 -0.10 -1.21 113.70 124.08 3dx2 s SER 1041Ca -0.05 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.85 3dx2 s SER 1041Cb -0.15 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 3dx2 s SER 1041CO -0.03 0.40 -0.09 -0.44 0.98 0.00 0.00 173.24 174.06 3dx2 s SER 1042N -0.98 4.44 -0.02 7.02 0.01 0.01 -0.97 113.70 123.20 3dx2 s SER 1042Ca 0.15 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3dx2 s SER 1042Cb -0.12 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.08 3dx2 s SER 1042CO 0.04 0.34 -0.03 -1.00 0.41 0.00 0.00 173.24 172.99 3dx2 s HIS 1043N -0.83 0.51 0.11 2.43 3.76 0.73 0.18 115.29 122.16 3dx2 s HIS 1043Ca 0.13 -0.10 -0.31 0.00 -0.15 0.00 0.00 55.06 54.64 3dx2 s HIS 1043Cb -0.11 -0.45 -0.07 0.00 1.11 0.00 0.00 32.58 33.06 3dx2 s HIS 1043CO 0.03 -0.10 1.27 -1.12 -0.85 0.00 0.00 174.74 173.96 3dx2 s SER 1044N 0.57 6.98 0.00 1.40 0.01 -1.03 -0.75 113.70 120.88 3dx2 s SER 1044Ca -0.06 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.38 3dx2 s SER 1044Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3dx2 s SER 1044CO -0.00 -0.52 0.04 -1.54 0.41 0.00 0.00 173.24 171.62