#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f18 s GLN 32 N 0.00 3.86 -0.30 0.00 -0.21 -1.26 -4.98 119.66 116.76 2f18 s GLN 32 Ca 0.00 1.78 -0.24 0.00 0.02 0.00 0.00 55.36 56.91 2f18 s GLN 32 Cb 0.00 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.53 2f18 s GLN 32 CO 0.00 -0.47 0.83 0.34 -2.12 0.00 0.00 175.29 173.87 2f18 s ASP 33 N -1.31 6.71 0.00 5.90 -1.08 -1.26 -4.83 116.67 120.79 2f18 s ASP 33 Ca 0.62 0.74 0.18 0.00 -0.52 0.00 0.00 52.55 53.57 2f18 s ASP 33 Cb -0.29 -2.43 0.52 0.00 -1.46 0.00 0.00 42.92 39.27 2f18 s ASP 33 CO 0.35 -0.64 1.42 1.33 0.52 0.00 0.00 175.17 178.15 2f18 n VAL 34 N 5.55 0.49 -0.05 1.11 0.24 -1.26 -4.28 118.33 120.13 2f18 n VAL 34 Ca 0.05 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.68 2f18 n VAL 34 Cb 0.48 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 2f18 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2f18 n VAL 35 N 0.85 0.58 0.94 3.34 0.31 -1.26 -4.86 118.33 118.24 2f18 n VAL 35 Ca 0.17 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 2f18 n VAL 35 Cb 0.42 -1.24 -0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2f18 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2f18 n GLN 36 N -3.13 0.04 -3.70 5.55 6.02 -1.26 -4.26 117.38 116.64 2f18 n GLN 36 Ca -0.19 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 2f18 n GLN 36 Cb 0.67 -1.51 -0.11 0.00 1.02 0.00 0.00 30.24 30.31 2f18 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2f18 s ASP 37 N -3.10 5.41 -0.19 1.08 1.01 -1.26 -4.91 116.67 114.71 2f18 s ASP 37 Ca 0.08 -1.53 -0.29 0.00 0.71 0.00 0.00 52.55 51.52 2f18 s ASP 37 Cb 0.16 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 2f18 s ASP 37 CO 0.82 -0.47 1.46 -0.69 0.21 0.00 0.00 175.17 176.49 2f18 s VAL 38 N 1.34 3.93 0.49 -1.27 1.01 -1.26 -4.70 120.40 119.94 2f18 s VAL 38 Ca 0.02 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 2f18 s VAL 38 Cb -0.22 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2f18 s VAL 38 CO 0.00 -0.23 1.31 -2.84 0.00 0.00 0.00 175.10 173.35 2f18 s PRO 39 N 4.10 3.47 -0.40 2.72 0.02 -1.26 -4.97 135.00 138.68 2f18 s PRO 39 Ca 0.64 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 63.65 2f18 s PRO 39 Cb -0.24 -2.41 0.02 0.00 0.02 0.00 0.00 34.50 31.88 2f18 s PRO 39 CO 0.24 -0.90 0.32 1.21 -0.33 0.00 0.00 177.00 177.54 2f18 s ASN 40 N -0.96 6.12 0.16 2.53 2.47 -1.26 -5.05 114.94 118.94 2f18 s ASN 40 Ca 0.66 -0.80 0.08 0.00 0.42 0.00 0.00 52.86 53.21 2f18 s ASN 40 Cb -0.38 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2f18 s ASN 40 CO 0.46 -0.44 -0.16 0.68 -3.72 0.00 0.00 177.10 173.91 2f18 s VAL 41 N 1.76 1.66 0.19 -5.21 -7.23 -1.26 -5.05 120.40 105.26 2f18 s VAL 41 Ca 0.06 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2f18 s VAL 41 Cb -0.18 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2f18 s VAL 41 CO 0.11 -0.39 1.50 0.44 -0.31 0.00 0.00 175.10 176.45 2f18 h ASP 42 N 3.21 0.65 -3.21 4.85 3.32 -1.77 -3.42 116.42 120.06 2f18 h ASP 42 Ca -0.41 -0.34 -0.54 0.00 0.02 0.00 0.00 57.03 55.76 2f18 h ASP 42 Cb 1.21 -0.19 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 2f18 h ASP 42 CO 0.53 1.06 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.61 2f18 s VAL 43 N -4.03 1.14 -0.19 -1.35 1.01 -0.40 -5.00 120.40 111.59 2f18 s VAL 43 Ca -0.08 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2f18 s VAL 43 Cb 0.11 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2f18 s VAL 43 CO 0.84 0.38 -0.15 -1.58 0.00 0.00 0.00 175.10 174.60 2f18 s GLN 44 N 1.49 2.52 0.42 2.72 -0.44 -1.26 -1.23 119.66 123.88 2f18 s GLN 44 Ca 0.02 -0.86 0.09 0.00 -2.50 0.00 0.00 55.36 52.11 2f18 s GLN 44 Cb -0.13 -2.49 0.92 0.00 -1.64 0.00 0.00 33.01 29.66 2f18 s GLN 44 CO -0.07 -0.32 2.05 0.52 0.50 0.00 0.00 175.29 177.97 2f18 h MET 45 N 7.94 0.38 -0.48 1.67 2.86 -1.48 -0.27 114.93 125.56 2f18 h MET 45 Ca -0.36 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.12 2f18 h MET 45 Cb 1.11 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2f18 h MET 45 CO 0.55 0.30 -0.20 1.25 1.06 0.00 0.00 176.91 179.87 2f18 h LEU 46 N 0.39 0.99 -0.44 1.22 5.85 -1.93 -0.44 115.31 120.95 2f18 h LEU 46 Ca 0.10 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 2f18 h LEU 46 Cb 0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2f18 h LEU 46 CO -0.01 1.15 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.06 2f18 h GLU 47 N 0.84 0.84 -0.41 1.25 4.22 -1.68 -1.81 114.58 117.83 2f18 h GLU 47 Ca 0.11 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.24 2f18 h GLU 47 Cb 0.77 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2f18 h GLU 47 CO 0.06 0.95 0.27 1.25 -2.18 0.00 0.00 179.01 179.36 2f18 h LEU 48 N 0.68 0.47 -1.38 1.64 5.85 -0.96 -1.74 115.31 119.87 2f18 h LEU 48 Ca 0.11 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2f18 h LEU 48 Cb 0.64 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2f18 h LEU 48 CO 0.04 0.35 0.42 1.88 -0.34 0.00 0.00 178.44 180.79 2f18 h TYR 49 N 0.55 0.79 -0.49 1.25 -1.99 -0.86 -0.32 116.97 115.90 2f18 h TYR 49 Ca 0.15 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 2f18 h TYR 49 Cb -0.05 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.39 2f18 h TYR 49 CO -0.04 0.50 -0.05 0.22 -0.00 0.00 0.00 178.16 178.79 2f18 h ASP 50 N 0.86 0.83 0.77 3.88 3.58 -0.46 -3.23 116.42 122.66 2f18 h ASP 50 Ca 0.23 -0.23 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 2f18 h ASP 50 Cb -0.10 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.71 2f18 h ASP 50 CO -0.05 0.92 -1.23 0.03 -2.88 0.00 0.00 179.24 176.03 2f18 h ARG 51 N 0.78 0.08 -7.01 0.28 3.08 -0.92 -3.48 114.38 107.20 2f18 h ARG 51 Ca 0.14 -0.14 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2f18 h ARG 51 Cb 0.53 0.05 0.11 0.00 0.08 0.00 0.00 29.97 30.75 2f18 h ARG 51 CO 0.03 0.97 0.61 -1.64 -1.07 0.00 0.00 179.97 178.87 2f18 s MET 52 N -2.67 3.51 0.13 0.04 -1.94 -0.18 -4.96 119.30 113.23 2f18 s MET 52 Ca -0.02 2.20 0.21 0.00 -1.71 0.00 0.00 55.69 56.37 2f18 s MET 52 Cb 0.09 -2.46 -0.09 0.00 2.01 0.00 0.00 34.83 34.37 2f18 s MET 52 CO 0.84 -0.88 0.88 -1.13 -0.01 0.00 0.00 175.02 174.71 2f18 n SER 53 N -0.54 0.68 -2.49 3.03 3.41 -1.26 -4.98 113.62 111.47 2f18 n SER 53 Ca 0.07 0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 2f18 n SER 53 Cb 0.44 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.08 2f18 n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2f18 n PHE 54 N -2.64 -1.26 -2.38 7.33 3.01 -1.26 -4.93 117.46 115.32 2f18 n PHE 54 Ca -0.03 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 2f18 n PHE 54 Cb 0.62 -3.46 -0.04 0.00 -0.01 0.00 0.00 39.48 36.59 2f18 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2f18 s LYS 55 N -5.11 4.52 -1.09 -1.08 -0.14 -1.26 -4.95 119.74 110.62 2f18 s LYS 55 Ca 0.03 1.88 -0.08 0.00 -1.36 0.00 0.00 55.97 56.45 2f18 s LYS 55 Cb -0.02 -3.21 0.28 0.00 -1.68 0.00 0.00 37.83 33.20 2f18 s LYS 55 CO 0.04 -0.01 1.11 -3.47 -0.76 0.00 0.00 175.35 172.26 2f18 n ASP 56 N 1.99 5.46 -4.80 2.83 2.03 -1.26 -5.00 116.55 117.80 2f18 n ASP 56 Ca 0.02 -3.08 -0.27 0.00 0.52 0.00 0.00 54.79 51.99 2f18 n ASP 56 Cb 0.44 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 39.45 2f18 n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2f18 s ILE 57 N -1.42 4.52 -0.42 5.18 -4.36 -1.26 -5.04 121.20 118.41 2f18 s ILE 57 Ca 0.31 -1.01 -0.28 0.00 -0.26 0.00 0.00 60.65 59.41 2f18 s ILE 57 Cb -0.09 -3.28 -0.01 0.00 1.25 0.00 0.00 42.46 40.33 2f18 s ILE 57 CO -0.07 -0.06 1.65 -0.62 0.24 0.00 0.00 174.94 176.08 2f18 s ASP 58 N -2.96 5.96 0.00 4.36 -1.08 -1.26 -4.59 116.67 117.09 2f18 s ASP 58 Ca 0.31 0.91 0.15 0.00 -0.52 0.00 0.00 52.55 53.40 2f18 s ASP 58 Cb -0.11 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.35 2f18 s ASP 58 CO 0.23 -1.72 1.39 0.61 0.52 0.00 0.00 175.17 176.20 2f18 n GLY 59 N 5.34 0.28 0.00 2.66 0.00 0.15 -5.02 105.19 108.61 2f18 n GLY 59 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2f18 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f18 n GLY 60 N 1.04 0.52 0.34 -0.02 0.00 -1.26 -3.73 105.19 102.07 2f18 n GLY 60 Ca 0.13 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.45 2f18 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2f18 h VAL 61 N 0.00 1.10 -2.57 1.61 -1.51 -1.93 -2.93 116.25 110.02 2f18 h VAL 61 Ca 0.00 -0.26 -0.66 0.00 -1.23 0.00 0.00 66.70 64.54 2f18 h VAL 61 Cb 0.00 0.27 -0.16 0.00 -2.13 0.00 0.00 31.29 29.26 2f18 h VAL 61 CO 0.00 0.14 0.62 0.86 -1.23 0.00 0.00 177.57 177.96 2f18 s TRP 62 N -5.67 2.90 0.47 5.19 -0.00 -1.22 -4.50 118.94 116.11 2f18 s TRP 62 Ca -0.10 -0.96 0.16 0.00 -0.00 0.00 0.00 56.10 55.20 2f18 s TRP 62 Cb 0.18 -4.26 1.14 0.00 -0.00 0.00 0.00 33.47 30.53 2f18 s TRP 62 CO 0.76 -1.54 2.04 0.87 -0.00 0.00 0.00 176.95 179.08 2f18 h LYS 63 N 9.21 0.24 -0.28 5.86 1.79 -1.80 -1.89 116.57 129.69 2f18 h LYS 63 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2f18 h LYS 63 Cb 1.05 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2f18 h LYS 63 CO 1.14 0.16 0.00 1.04 -1.08 0.00 0.00 179.45 180.71 2f18 n GLN 64 N -4.47 2.94 0.00 3.15 6.02 -1.26 -0.67 117.38 123.09 2f18 n GLN 64 Ca 0.05 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.38 2f18 n GLN 64 Cb 0.29 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2f18 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2f18 n GLY 65 N -0.25 2.84 3.65 1.08 0.00 -0.71 -4.66 105.19 107.13 2f18 n GLY 65 Ca 0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2f18 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2f18 s TRP 66 N 3.66 0.41 -0.64 1.61 -2.14 -1.26 -4.21 118.94 116.37 2f18 s TRP 66 Ca 0.00 -0.82 -0.28 0.00 2.66 0.00 0.00 56.10 57.66 2f18 s TRP 66 Cb 0.00 0.33 0.03 0.00 -3.10 0.00 0.00 33.47 30.73 2f18 s TRP 66 CO 0.00 -1.19 1.26 -0.80 -2.66 0.00 0.00 176.95 173.56 2f18 s ASN 67 N -3.07 6.29 0.22 -2.66 0.01 -1.24 -4.70 114.94 109.78 2f18 s ASN 67 Ca 0.21 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 51.99 2f18 s ASN 67 Cb -0.02 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 2f18 s ASN 67 CO 0.12 -1.65 1.35 -0.63 -1.51 0.00 0.00 177.10 174.78 2f18 s ILE 68 N 5.43 3.03 0.08 0.60 1.01 -1.26 -5.03 121.20 125.05 2f18 s ILE 68 Ca 0.41 0.86 0.10 0.00 0.00 0.00 0.00 60.65 62.02 2f18 s ILE 68 Cb -0.08 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2f18 s ILE 68 CO 0.21 0.13 -0.26 -0.54 0.00 0.00 0.00 174.94 174.49 2f18 s LYS 69 N -0.25 1.58 0.05 2.79 1.02 -1.26 -4.98 119.74 118.70 2f18 s LYS 69 Ca 0.57 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2f18 s LYS 69 Cb -0.38 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 2f18 s LYS 69 CO 0.40 0.47 -0.05 1.52 -0.92 0.00 0.00 175.35 176.77 2f18 s TYR 70 N -0.92 0.58 -0.47 3.18 1.13 -1.26 -4.99 117.35 114.60 2f18 s TYR 70 Ca 0.12 -0.84 -0.25 0.00 -1.41 0.00 0.00 57.07 54.69 2f18 s TYR 70 Cb -0.10 -0.38 0.03 0.00 -1.10 0.00 0.00 41.96 40.41 2f18 s TYR 70 CO 0.04 -0.24 0.93 0.34 -2.51 0.00 0.00 175.55 174.11 2f18 s ASP 71 N -2.45 6.50 0.62 -0.18 -1.08 -1.26 -4.93 116.67 113.88 2f18 s ASP 71 Ca 0.01 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 52.45 2f18 s ASP 71 Cb 0.01 -2.45 1.65 0.00 -1.46 0.00 0.00 42.92 40.67 2f18 s ASP 71 CO -0.05 -1.06 2.00 1.55 0.52 0.00 0.00 175.17 178.13 2f18 h PRO 72 N 9.10 0.00 -0.01 4.34 0.13 -1.99 0.54 132.00 144.10 2f18 h PRO 72 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2f18 h PRO 72 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2f18 h PRO 72 CO 1.03 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.08 2f18 n LEU 73 N -3.45 0.29 -0.15 1.56 4.77 -1.26 -3.73 117.00 115.03 2f18 n LEU 73 Ca 0.02 -0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.86 2f18 n LEU 73 Cb 0.43 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 2f18 n LEU 73 CO 0.23 0.05 0.96 0.50 -1.33 0.00 0.00 177.39 177.80 2f18 h LYS 74 N 0.44 0.88 -6.06 3.23 3.64 -1.29 -3.41 116.57 114.00 2f18 h LYS 74 Ca 0.00 -0.20 -0.64 0.00 -1.27 0.00 0.00 60.65 58.55 2f18 h LYS 74 Cb 0.09 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.71 2f18 h LYS 74 CO 0.00 0.81 -0.57 0.71 -2.27 0.00 0.00 179.45 178.13 2f18 s TYR 75 N -5.19 3.31 0.14 1.91 1.51 -1.24 -4.91 117.35 112.87 2f18 s TYR 75 Ca -0.10 0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 2f18 s TYR 75 Cb 0.15 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2f18 s TYR 75 CO 0.81 0.55 0.27 0.27 -1.11 0.00 0.00 175.55 176.34 2f18 n ASN 76 N 0.60 -0.78 0.19 2.29 0.23 -0.38 -4.96 115.26 112.45 2f18 n ASN 76 Ca -0.09 -1.56 0.15 0.00 -0.53 0.00 0.00 54.58 52.56 2f18 n ASN 76 Cb 0.52 1.31 0.78 0.00 -2.08 0.00 0.00 39.78 40.30 2f18 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2f18 h ALA 77 N 1.98 1.93 0.00 -2.53 0.00 -1.95 -1.40 119.26 117.29 2f18 h ALA 77 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2f18 h ALA 77 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2f18 h ALA 77 CO 0.15 -0.25 -0.83 0.72 0.00 0.00 0.00 179.25 179.04 2f18 n HIS 78 N -4.06 0.02 -3.42 0.00 8.25 -1.26 -4.63 115.22 110.12 2f18 n HIS 78 Ca 0.01 0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 2f18 n HIS 78 Cb 0.29 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 2f18 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2f18 s HIS 79 N -3.02 0.58 0.25 4.41 5.04 -0.53 -5.13 115.29 116.88 2f18 s HIS 79 Ca 0.09 -1.61 0.01 0.00 -1.54 0.00 0.00 55.06 52.00 2f18 s HIS 79 Cb 0.16 -0.80 -0.04 0.00 0.04 0.00 0.00 32.58 31.95 2f18 s HIS 79 CO 0.80 -0.86 0.43 0.15 -2.34 0.00 0.00 174.74 172.92 2f18 s LYS 80 N 0.93 3.49 -0.20 2.88 1.02 -1.22 -1.25 119.74 125.39 2f18 s LYS 80 Ca 0.21 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 2f18 s LYS 80 Cb -0.16 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2f18 s LYS 80 CO -0.04 0.34 0.66 -1.17 -0.92 0.00 0.00 175.35 174.22 2f18 s LEU 81 N -3.74 4.14 -0.30 3.17 2.96 -0.19 -4.87 118.68 119.85 2f18 s LEU 81 Ca 0.38 0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 55.03 2f18 s LEU 81 Cb -0.10 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2f18 s LEU 81 CO 0.31 -0.30 0.23 -0.75 -1.32 0.00 0.00 176.35 174.52 2f18 s LYS 82 N 2.02 3.82 -0.16 1.98 2.47 0.40 -1.31 119.74 128.96 2f18 s LYS 82 Ca 0.30 -0.37 -0.01 0.00 -1.56 0.00 0.00 55.97 54.32 2f18 s LYS 82 Cb -0.16 -3.71 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 2f18 s LYS 82 CO 0.10 -0.28 -0.10 0.08 0.16 0.00 0.00 175.35 175.31 2f18 s VAL 83 N 1.80 3.14 -0.30 4.02 1.01 -0.17 -0.09 120.40 129.81 2f18 s VAL 83 Ca 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2f18 s VAL 83 Cb -0.16 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2f18 s VAL 83 CO 0.11 0.49 0.05 -0.36 0.00 0.00 0.00 175.10 175.40 2f18 s PHE 84 N 0.73 3.17 -0.28 5.22 0.08 -0.20 -1.53 117.98 125.16 2f18 s PHE 84 Ca -0.05 -1.26 -0.17 0.00 0.12 0.00 0.00 56.93 55.57 2f18 s PHE 84 Cb -0.15 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2f18 s PHE 84 CO 0.02 -0.66 0.49 0.08 -0.10 0.00 0.00 175.22 175.04 2f18 s VAL 85 N 1.43 5.08 -0.41 -0.44 1.01 0.01 -0.85 120.40 126.23 2f18 s VAL 85 Ca 0.01 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 2f18 s VAL 85 Cb -0.18 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2f18 s VAL 85 CO 0.01 0.03 0.20 -0.69 0.00 0.00 0.00 175.10 174.65 2f18 s VAL 86 N 2.28 3.23 0.30 2.92 1.01 0.04 -0.76 120.40 129.42 2f18 s VAL 86 Ca 0.19 -2.10 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 2f18 s VAL 86 Cb -0.16 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2f18 s VAL 86 CO 0.10 -0.69 1.34 -2.84 0.00 0.00 0.00 175.10 173.02 2f18 s PRO 87 N 1.10 4.33 0.19 2.72 0.02 -1.26 -0.68 135.00 141.43 2f18 s PRO 87 Ca 0.09 2.23 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 2f18 s PRO 87 Cb -0.23 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.22 2f18 s PRO 87 CO -0.04 -0.26 0.44 -3.38 -0.33 0.00 0.00 177.00 173.43 2f18 s HIS 88 N -0.75 0.12 -0.14 6.54 -3.43 -0.48 -1.83 115.29 115.33 2f18 s HIS 88 Ca 0.52 -0.47 -0.04 0.00 -0.80 0.00 0.00 55.06 54.27 2f18 s HIS 88 Cb -0.40 0.22 0.07 0.00 -1.43 0.00 0.00 32.58 31.03 2f18 s HIS 88 CO 0.49 -0.86 0.20 0.45 -2.00 0.00 0.00 174.74 173.02 2f18 s SER 89 N -2.92 0.97 -0.39 7.38 0.15 -1.26 -3.83 113.70 113.79 2f18 s SER 89 Ca 0.13 0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 2f18 s SER 89 Cb 0.00 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2f18 s SER 89 CO -0.00 -0.28 0.96 -2.28 1.20 0.00 0.00 173.24 172.84 2f18 s HIS 90 N 2.32 3.03 -0.37 3.44 2.46 -0.50 -4.75 115.29 120.93 2f18 s HIS 90 Ca 0.04 0.74 -0.00 0.00 0.47 0.00 0.00 55.06 56.31 2f18 s HIS 90 Cb -0.13 -3.77 0.10 0.00 -0.13 0.00 0.00 32.58 28.64 2f18 s HIS 90 CO -0.09 -0.91 0.12 -0.80 -2.47 0.00 0.00 174.74 170.60 2f18 s ASN 91 N 1.98 5.02 -0.03 9.88 -0.87 -1.26 -0.31 114.94 129.34 2f18 s ASN 91 Ca 0.39 -1.99 -0.30 0.00 -1.57 0.00 0.00 52.86 49.39 2f18 s ASN 91 Cb -0.11 -1.74 -0.05 0.00 -0.02 0.00 0.00 41.25 39.34 2f18 s ASN 91 CO 0.21 -0.45 1.37 -1.81 -2.57 0.00 0.00 177.10 173.85 2f18 s ASP 92 N 1.40 6.88 -1.38 -1.22 1.01 -1.26 -4.88 116.67 117.23 2f18 s ASP 92 Ca 0.07 2.04 -0.14 0.00 0.71 0.00 0.00 52.55 55.23 2f18 s ASP 92 Cb -0.21 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 2f18 s ASP 92 CO -0.05 -0.71 2.34 -2.65 0.21 0.00 0.00 175.17 174.31 2f18 n PRO 93 N 5.55 2.82 0.00 8.23 -0.02 -1.26 -4.61 135.00 145.70 2f18 n PRO 93 Ca 0.13 -2.35 0.00 0.00 -2.02 0.00 0.00 63.50 59.26 2f18 n PRO 93 Cb 0.44 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 2f18 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f18 n GLY 94 N 4.03 2.16 0.00 -1.23 0.00 -1.26 -4.56 105.19 104.33 2f18 n GLY 94 Ca 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2f18 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2f18 n TRP 95 N 2.20 0.00 0.12 1.61 -0.00 -1.26 -4.70 117.44 115.42 2f18 n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 2f18 n TRP 95 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 2f18 n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 2f18 h ILE 96 N 0.00 0.02 -3.34 5.87 1.08 -1.93 -0.60 117.51 118.61 2f18 h ILE 96 Ca 0.00 -1.03 -0.34 0.00 -0.39 0.00 0.00 64.86 63.10 2f18 h ILE 96 Cb 0.00 1.59 -0.15 0.00 -3.07 0.00 0.00 36.82 35.20 2f18 h ILE 96 CO 0.00 0.01 -0.71 -1.10 -0.69 0.00 0.00 178.15 175.66 2f18 s GLN 97 N -3.33 1.11 0.85 2.37 -0.21 -1.26 -4.85 119.66 114.34 2f18 s GLN 97 Ca 0.01 -1.49 -0.12 0.00 0.02 0.00 0.00 55.36 53.78 2f18 s GLN 97 Cb 0.09 -0.66 0.10 0.00 1.00 0.00 0.00 33.01 33.54 2f18 s GLN 97 CO 0.77 0.06 1.10 0.95 -2.12 0.00 0.00 175.29 176.05 2f18 s THR 98 N -3.31 2.77 0.20 -0.19 -4.23 -1.26 -4.15 115.64 105.47 2f18 s THR 98 Ca 0.19 0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 2f18 s THR 98 Cb 0.03 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 71.11 2f18 s THR 98 CO 0.02 -0.33 1.67 0.15 -0.54 0.00 0.00 174.62 175.59 2f18 h PHE 99 N -1.29 -0.07 -0.20 3.99 3.04 -1.90 -0.44 116.94 120.07 2f18 h PHE 99 Ca -0.48 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.36 2f18 h PHE 99 Cb 1.28 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 2f18 h PHE 99 CO 0.42 -0.16 -0.50 1.49 -2.02 0.00 0.00 178.31 177.54 2f18 h GLU 100 N 0.10 0.54 -0.34 1.11 4.57 -1.97 -0.12 114.58 118.47 2f18 h GLU 100 Ca 0.29 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2f18 h GLU 100 Cb 0.46 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2f18 h GLU 100 CO -0.50 0.92 0.13 0.93 -1.18 0.00 0.00 179.01 179.31 2f18 h GLU 101 N 0.43 0.52 -0.71 1.92 5.08 -1.81 -1.11 114.58 118.90 2f18 h GLU 101 Ca 0.02 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2f18 h GLU 101 Cb 1.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2f18 h GLU 101 CO 0.09 0.52 0.20 1.88 -1.00 0.00 0.00 179.01 180.71 2f18 h TYR 102 N 0.40 1.14 -0.51 4.33 0.05 -0.95 -0.90 116.97 120.53 2f18 h TYR 102 Ca 0.11 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2f18 h TYR 102 Cb 0.20 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2f18 h TYR 102 CO -0.00 0.91 0.31 -0.92 -1.05 0.00 0.00 178.16 177.41 2f18 h TYR 103 N 1.05 0.57 -0.22 4.88 3.20 -0.69 0.17 116.97 125.94 2f18 h TYR 103 Ca 0.23 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 2f18 h TYR 103 Cb 0.32 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2f18 h TYR 103 CO 0.02 0.33 -0.55 1.96 -1.64 0.00 0.00 178.16 178.28 2f18 h GLN 104 N 0.61 0.66 0.00 1.82 1.08 -1.00 -0.27 115.11 118.02 2f18 h GLN 104 Ca 0.20 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2f18 h GLN 104 Cb 0.02 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2f18 h GLN 104 CO -0.09 1.04 -1.31 1.58 -0.95 0.00 0.00 178.83 179.10 2f18 n HIS 105 N -3.97 0.47 0.09 2.96 -0.00 -0.36 -4.77 115.22 109.64 2f18 n HIS 105 Ca -0.04 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2f18 n HIS 105 Cb 0.62 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 2f18 n HIS 105 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2f18 n ASP 106 N -2.34 0.15 -0.02 0.26 8.00 0.43 -4.91 116.55 118.13 2f18 n ASP 106 Ca -0.01 0.31 -0.01 0.00 0.71 0.00 0.00 54.79 55.79 2f18 n ASP 106 Cb 0.52 0.16 0.26 0.00 -0.02 0.00 0.00 41.12 42.04 2f18 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2f18 h THR 107 N 0.00 1.21 0.00 -3.53 2.02 -1.11 -1.05 112.91 110.46 2f18 h THR 107 Ca 0.00 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 2f18 h THR 107 Cb 0.06 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2f18 h THR 107 CO 0.00 0.30 -0.31 0.07 0.37 0.00 0.00 175.52 175.95 2f18 h LYS 108 N 0.53 0.00 0.02 6.66 2.10 -1.26 -1.22 116.57 123.40 2f18 h LYS 108 Ca 0.11 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.49 2f18 h LYS 108 Cb 0.40 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.75 2f18 h LYS 108 CO 0.02 0.31 -1.07 0.45 -2.00 0.00 0.00 179.45 177.16 2f18 h HIS 109 N 0.00 0.98 -0.29 0.07 3.86 -1.54 -1.76 115.15 116.47 2f18 h HIS 109 Ca -0.00 -0.55 0.01 0.00 -1.16 0.00 0.00 60.37 58.67 2f18 h HIS 109 Cb 0.55 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2f18 h HIS 109 CO 0.00 1.38 0.17 0.82 0.86 0.00 0.00 177.93 181.16 2f18 h ILE 110 N 0.35 1.03 -0.35 2.45 2.04 -0.84 0.56 117.51 122.76 2f18 h ILE 110 Ca -0.13 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 2f18 h ILE 110 Cb 1.72 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2f18 h ILE 110 CO 0.20 0.06 -0.37 -0.07 0.00 0.00 0.00 178.15 177.98 2f18 h LEU 111 N 0.34 0.87 -0.59 1.44 3.38 -1.26 0.13 115.31 119.62 2f18 h LEU 111 Ca 0.11 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 2f18 h LEU 111 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2f18 h LEU 111 CO -0.05 1.14 -0.24 0.28 0.09 0.00 0.00 178.44 179.66 2f18 h SER 112 N 0.68 0.89 0.68 -0.43 0.02 -1.16 -1.43 113.55 112.79 2f18 h SER 112 Ca 0.06 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2f18 h SER 112 Cb 0.93 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2f18 h SER 112 CO 0.09 1.09 -0.75 0.78 -1.14 0.00 0.00 176.83 176.89 2f18 h ASN 113 N 0.75 0.07 -0.80 3.07 2.35 -0.79 -2.40 115.58 117.82 2f18 h ASN 113 Ca 0.10 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2f18 h ASN 113 Cb 0.79 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 2f18 h ASN 113 CO 0.07 0.79 0.33 0.00 -1.65 0.00 0.00 177.43 176.96 2f18 h ALA 114 N 1.21 1.04 -0.34 -0.83 0.00 -0.51 0.14 119.26 119.97 2f18 h ALA 114 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2f18 h ALA 114 Cb 1.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2f18 h ALA 114 CO 0.10 0.66 0.20 1.25 0.00 0.00 0.00 179.25 181.46 2f18 h LEU 115 N 1.17 0.42 0.06 0.00 5.85 -1.08 0.36 115.31 122.09 2f18 h LEU 115 Ca 0.27 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2f18 h LEU 115 Cb 0.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2f18 h LEU 115 CO -0.02 0.37 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.33 2f18 h ARG 116 N 0.44 -0.08 -0.56 1.25 2.43 -1.17 -1.63 114.38 115.05 2f18 h ARG 116 Ca 0.12 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2f18 h ARG 116 Cb 0.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2f18 h ARG 116 CO -0.02 0.22 -0.07 0.45 -1.51 0.00 0.00 179.97 179.04 2f18 h HIS 117 N -0.39 1.15 -0.53 2.20 3.86 -0.63 -1.31 115.15 119.51 2f18 h HIS 117 Ca -0.01 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.87 2f18 h HIS 117 Cb 0.34 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2f18 h HIS 117 CO 0.03 1.05 -0.07 -0.07 0.86 0.00 0.00 177.93 179.72 2f18 h LEU 118 N 0.92 0.98 -0.58 2.43 3.38 -0.98 -1.69 115.31 119.77 2f18 h LEU 118 Ca 0.15 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2f18 h LEU 118 Cb 0.63 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2f18 h LEU 118 CO 0.04 1.08 0.35 -0.74 0.09 0.00 0.00 178.44 179.26 2f18 h HIS 119 N 0.85 0.64 0.00 1.13 2.76 -1.06 -2.78 115.15 116.70 2f18 h HIS 119 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2f18 h HIS 119 Cb 0.62 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2f18 h HIS 119 CO 0.04 0.36 0.00 -0.25 -1.30 0.00 0.00 177.93 176.78 2f18 n ASP 120 N -4.77 0.48 -3.63 3.26 8.00 -0.51 -4.42 116.55 114.96 2f18 n ASP 120 Ca 0.05 0.55 -0.29 0.00 0.71 0.00 0.00 54.79 55.82 2f18 n ASP 120 Cb 0.10 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 2f18 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2f18 s ASN 121 N -3.90 3.20 0.60 -2.24 -0.87 -0.65 -5.01 114.94 106.07 2f18 s ASN 121 Ca 0.11 -2.90 0.29 0.00 -1.57 0.00 0.00 52.86 48.79 2f18 s ASN 121 Cb 0.14 -0.91 1.49 0.00 -0.02 0.00 0.00 41.25 41.96 2f18 s ASN 121 CO 0.55 -0.22 1.91 -0.65 -2.57 0.00 0.00 177.10 176.12 2f18 h PRO 122 N 6.25 0.00 0.00 -0.60 0.11 -1.77 -1.37 132.00 134.62 2f18 h PRO 122 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2f18 h PRO 122 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2f18 h PRO 122 CO 0.47 0.00 -0.52 0.39 -0.21 0.00 0.00 178.00 178.13 2f18 n GLU 123 N -3.63 0.01 -2.52 1.05 -0.58 -1.26 -4.90 120.64 108.81 2f18 n GLU 123 Ca 0.07 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 2f18 n GLU 123 Cb 0.62 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 2f18 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2f18 s MET 124 N -3.01 3.87 0.15 3.49 1.75 -0.52 -4.64 119.30 120.40 2f18 s MET 124 Ca 0.11 1.42 0.02 0.00 -1.25 0.00 0.00 55.69 55.99 2f18 s MET 124 Cb 0.17 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.59 2f18 s MET 124 CO 0.71 -0.38 -0.03 0.15 -0.65 0.00 0.00 175.02 174.81 2f18 s LYS 125 N -3.04 1.05 -0.27 4.11 -0.14 -1.26 -4.79 119.74 115.39 2f18 s LYS 125 Ca 0.65 -1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 53.53 2f18 s LYS 125 Cb -0.18 -0.34 0.08 0.00 -1.68 0.00 0.00 37.83 35.71 2f18 s LYS 125 CO 0.22 -0.06 0.78 0.12 -0.76 0.00 0.00 175.35 175.66 2f18 s PHE 126 N -3.57 -0.73 0.07 3.18 5.36 -0.30 -4.33 117.98 117.66 2f18 s PHE 126 Ca 0.20 1.77 0.06 0.00 -0.96 0.00 0.00 56.93 58.00 2f18 s PHE 126 Cb 0.05 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.99 2f18 s PHE 126 CO 0.01 -0.35 -0.11 0.96 -1.46 0.00 0.00 175.22 174.28 2f18 s ILE 127 N 0.39 3.33 -0.04 3.12 -4.36 -0.76 -1.31 121.20 121.57 2f18 s ILE 127 Ca 0.00 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 2f18 s ILE 127 Cb -0.05 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.16 2f18 s ILE 127 CO -0.01 0.22 -0.06 0.86 0.24 0.00 0.00 174.94 176.18 2f18 s TRP 128 N -1.11 0.81 -0.16 1.37 -0.11 -0.26 -4.37 118.94 115.11 2f18 s TRP 128 Ca 0.19 -0.22 0.02 0.00 1.22 0.00 0.00 56.10 57.31 2f18 s TRP 128 Cb -0.11 -0.65 -0.11 0.00 -1.50 0.00 0.00 33.47 31.10 2f18 s TRP 128 CO 0.11 -0.15 -0.13 0.00 -4.62 0.00 0.00 176.95 172.16 2f18 n ALA 129 N 3.69 1.66 -2.93 5.86 0.00 -1.26 -0.96 120.51 126.57 2f18 n ALA 129 Ca -0.22 -0.70 -0.44 0.00 0.00 0.00 0.00 53.44 52.08 2f18 n ALA 129 Cb 0.53 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 2f18 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2f18 s GLU 130 N -2.32 3.09 0.41 0.00 8.01 -1.26 -4.02 118.70 122.61 2f18 s GLU 130 Ca -0.20 -1.09 0.22 0.00 0.01 0.00 0.00 54.97 53.90 2f18 s GLU 130 Cb 0.05 -4.18 0.75 0.00 -4.31 0.00 0.00 34.13 26.44 2f18 s GLU 130 CO 0.38 -1.40 1.75 0.82 0.01 0.00 0.00 175.26 176.83 2f18 h ILE 131 N 5.90 0.63 -0.52 -1.63 1.08 -1.15 -2.74 117.51 119.09 2f18 h ILE 131 Ca -0.28 -1.33 0.09 0.00 -0.39 0.00 0.00 64.86 62.95 2f18 h ILE 131 Cb 1.09 1.89 -0.07 0.00 -3.07 0.00 0.00 36.82 36.65 2f18 h ILE 131 CO 1.04 0.27 0.10 0.77 -0.69 0.00 0.00 178.15 179.64 2f18 h SER 132 N 0.00 -0.02 -0.27 1.72 4.64 -1.41 0.22 113.55 118.44 2f18 h SER 132 Ca -0.00 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 2f18 h SER 132 Cb 0.86 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2f18 h SER 132 CO 0.04 0.02 -0.49 1.88 -0.87 0.00 0.00 176.83 177.40 2f18 h TYR 133 N 0.23 1.04 -0.62 4.77 0.05 -1.76 -2.15 116.97 118.53 2f18 h TYR 133 Ca 0.26 -0.35 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 2f18 h TYR 133 Cb 0.36 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2f18 h TYR 133 CO -0.24 1.16 0.05 0.35 -1.05 0.00 0.00 178.16 178.43 2f18 h PHE 134 N 0.66 1.14 -0.50 4.88 3.57 -1.07 -1.36 116.94 124.27 2f18 h PHE 134 Ca 0.03 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 2f18 h PHE 134 Cb 1.08 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2f18 h PHE 134 CO 0.06 0.99 -0.16 0.00 -2.23 0.00 0.00 178.31 176.97 2f18 h ALA 135 N 1.01 0.77 -0.90 2.41 0.00 -0.59 0.13 119.26 122.09 2f18 h ALA 135 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2f18 h ALA 135 Cb 0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2f18 h ALA 135 CO 0.02 0.66 0.59 -0.09 0.00 0.00 0.00 179.25 180.44 2f18 h ARG 136 N 0.85 1.13 0.03 0.00 9.65 -1.07 -2.42 114.38 122.55 2f18 h ARG 136 Ca 0.12 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2f18 h ARG 136 Cb 0.72 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2f18 h ARG 136 CO 0.06 0.75 -0.01 0.35 2.80 0.00 0.00 179.97 183.91 2f18 h PHE 137 N 1.17 -0.03 -0.84 2.20 3.57 -0.94 -3.33 116.94 118.74 2f18 h PHE 137 Ca 0.35 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2f18 h PHE 137 Cb -0.05 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2f18 h PHE 137 CO -0.00 0.64 0.55 -0.92 -2.23 0.00 0.00 178.31 176.36 2f18 h TYR 138 N -0.77 1.04 0.00 0.41 3.20 -0.65 -1.33 116.97 118.86 2f18 h TYR 138 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2f18 h TYR 138 Cb 0.69 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2f18 h TYR 138 CO 0.17 0.64 0.00 0.45 -1.64 0.00 0.00 178.16 177.77 2f18 h HIS 139 N 1.10 0.00 -0.01 -3.82 3.86 -1.57 -2.30 115.15 112.41 2f18 h HIS 139 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2f18 h HIS 139 Cb -0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2f18 h HIS 139 CO -0.00 0.00 -0.19 -0.25 0.86 0.00 0.00 177.93 178.35 2f18 n ASP 140 N -2.34 1.56 -4.82 2.45 9.92 -0.51 -4.94 116.55 117.85 2f18 n ASP 140 Ca 0.02 -1.30 -0.34 0.00 -0.53 0.00 0.00 54.79 52.65 2f18 n ASP 140 Cb 0.26 0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.81 2f18 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2f18 s LEU 141 N -2.29 4.09 0.71 0.64 1.43 -0.87 -5.06 118.68 117.33 2f18 s LEU 141 Ca 0.28 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2f18 s LEU 141 Cb 0.20 -4.20 0.02 0.00 0.03 0.00 0.00 46.19 42.23 2f18 s LEU 141 CO 0.45 -0.22 1.07 -0.83 0.23 0.00 0.00 176.35 177.05 2f18 s GLY 142 N -2.07 1.65 0.30 -3.19 0.00 -1.26 -4.80 107.32 97.95 2f18 s GLY 142 Ca 0.55 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 45.20 2f18 s GLY 142 CO 0.17 0.24 1.85 -2.09 0.00 0.00 0.00 173.10 173.27 2f18 h GLU 143 N -0.74 0.91 -0.50 2.90 4.57 -1.97 -0.73 114.58 119.01 2f18 h GLU 143 Ca -0.45 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2f18 h GLU 143 Cb 1.23 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2f18 h GLU 143 CO 0.60 0.60 0.32 -0.97 -1.18 0.00 0.00 179.01 178.38 2f18 h ASN 144 N 0.93 0.55 0.02 1.04 -0.73 -2.00 -1.14 115.58 114.26 2f18 h ASN 144 Ca 0.48 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.48 2f18 h ASN 144 Cb 0.51 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2f18 h ASN 144 CO -0.24 0.40 -0.53 0.11 -0.37 0.00 0.00 177.43 176.80 2f18 h LYS 145 N 0.66 0.55 -0.77 6.67 1.79 -1.73 -1.92 116.57 121.82 2f18 h LYS 145 Ca 0.19 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2f18 h LYS 145 Cb -0.06 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 2f18 h LYS 145 CO -0.05 0.94 0.50 0.87 -1.08 0.00 0.00 179.45 180.64 2f18 h LYS 146 N 0.43 0.98 -0.51 3.15 1.57 -0.75 0.17 116.57 121.61 2f18 h LYS 146 Ca 0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2f18 h LYS 146 Cb 1.06 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 2f18 h LYS 146 CO 0.10 0.65 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.49 2f18 h LEU 147 N 1.01 0.93 -0.81 2.94 3.38 -1.05 -0.36 115.31 121.35 2f18 h LEU 147 Ca 0.30 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2f18 h LEU 147 Cb -0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2f18 h LEU 147 CO -0.08 1.05 0.46 1.56 0.09 0.00 0.00 178.44 181.52 2f18 h GLN 148 N 0.80 1.12 -0.25 1.13 4.20 -0.73 -1.76 115.11 119.62 2f18 h GLN 148 Ca 0.14 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2f18 h GLN 148 Cb 0.61 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2f18 h GLN 148 CO 0.04 0.82 0.09 1.98 -0.67 0.00 0.00 178.83 181.08 2f18 h MET 149 N 1.12 0.38 -0.49 1.46 4.05 -0.39 -2.17 114.93 118.88 2f18 h MET 149 Ca 0.29 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 2f18 h MET 149 Cb 0.00 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 2f18 h MET 149 CO -0.05 0.44 0.33 0.87 0.23 0.00 0.00 176.91 178.73 2f18 h LYS 150 N 0.25 0.50 -0.39 0.39 1.57 -0.81 -2.28 116.57 115.80 2f18 h LYS 150 Ca 0.08 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2f18 h LYS 150 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2f18 h LYS 150 CO -0.00 0.33 -0.15 1.03 -0.57 0.00 0.00 179.45 180.09 2f18 h SER 151 N 0.52 0.80 1.28 0.86 0.87 -0.83 0.11 113.55 117.16 2f18 h SER 151 Ca 0.20 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2f18 h SER 151 Cb 0.16 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2f18 h SER 151 CO -0.05 1.01 0.00 0.16 -0.53 0.00 0.00 176.83 177.42 2f18 h ILE 152 N 0.58 0.00 0.10 2.23 3.07 -1.00 -1.43 117.51 121.07 2f18 h ILE 152 Ca 0.09 -0.58 -0.16 0.00 1.55 0.00 0.00 64.86 65.76 2f18 h ILE 152 Cb 0.69 1.52 0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2f18 h ILE 152 CO 0.05 0.00 -0.75 0.58 -1.05 0.00 0.00 178.15 176.98 2f18 h VAL 153 N 0.00 1.48 -0.57 0.16 2.07 -1.20 -1.12 116.25 117.07 2f18 h VAL 153 Ca 0.00 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.04 2f18 h VAL 153 Cb 0.64 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 2f18 h VAL 153 CO 0.00 0.68 0.30 0.50 0.02 0.00 0.00 177.57 179.07 2f18 h LYS 154 N -0.51 0.78 -0.56 1.57 3.64 -0.63 -1.73 116.57 119.13 2f18 h LYS 154 Ca -0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2f18 h LYS 154 Cb 1.52 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2f18 h LYS 154 CO 0.09 0.58 0.00 0.09 -2.27 0.00 0.00 179.45 177.95 2f18 n ASN 155 N -4.39 2.57 0.00 4.20 3.02 -0.55 -4.94 115.26 115.17 2f18 n ASN 155 Ca 0.05 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 2f18 n ASN 155 Cb 0.10 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2f18 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f18 n GLY 156 N 0.73 0.54 0.16 7.41 0.00 -0.65 -4.91 105.19 108.47 2f18 n GLY 156 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2f18 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2f18 h GLN 157 N 1.40 0.52 -4.90 1.61 4.20 -1.50 -3.41 115.11 113.04 2f18 h GLN 157 Ca 0.00 -0.60 -0.65 0.00 0.06 0.00 0.00 58.65 57.46 2f18 h GLN 157 Cb 0.13 0.18 -0.22 0.00 0.30 0.00 0.00 27.48 27.87 2f18 h GLN 157 CO 0.00 1.22 -0.59 -1.17 -0.67 0.00 0.00 178.83 177.62 2f18 s LEU 158 N -8.17 3.70 -0.08 1.46 2.96 -0.54 -1.15 118.68 116.86 2f18 s LEU 158 Ca -0.12 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2f18 s LEU 158 Cb 0.05 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.77 2f18 s LEU 158 CO 0.87 -0.08 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.91 2f18 s GLU 159 N 1.63 2.55 0.05 1.98 2.12 -0.43 -4.28 118.70 122.33 2f18 s GLU 159 Ca 0.06 -0.75 -0.27 0.00 0.36 0.00 0.00 54.97 54.37 2f18 s GLU 159 Cb -0.16 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 2f18 s GLU 159 CO 0.05 0.18 0.85 -0.06 -0.54 0.00 0.00 175.26 175.75 2f18 s PHE 160 N 0.32 3.73 -0.09 5.30 0.08 -1.26 -1.10 117.98 124.96 2f18 s PHE 160 Ca -0.15 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.52 2f18 s PHE 160 Cb -0.16 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 2f18 s PHE 160 CO 0.06 0.19 -0.16 0.14 -0.10 0.00 0.00 175.22 175.36 2f18 s VAL 161 N 0.20 2.83 0.00 -0.44 -7.23 -0.13 -4.67 120.40 110.95 2f18 s VAL 161 Ca 0.43 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2f18 s VAL 161 Cb -0.21 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2f18 s VAL 161 CO 0.25 0.55 0.00 0.41 -0.31 0.00 0.00 175.10 176.01 2f18 n THR 162 N 3.08 0.00 -0.65 5.32 -1.04 0.12 -4.24 114.28 116.86 2f18 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2f18 n THR 162 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2f18 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2f18 n GLY 163 N 0.00 0.63 3.87 3.41 0.00 -1.26 -4.63 105.19 107.21 2f18 n GLY 163 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2f18 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f18 s GLY 164 N -2.38 1.63 0.34 -0.02 0.00 -1.26 -1.79 107.32 103.85 2f18 s GLY 164 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.51 2f18 s GLY 164 CO 0.00 0.08 1.88 -0.25 0.00 0.00 0.00 173.10 174.80 2f18 h TRP 165 N -0.65 0.88 -4.63 1.90 -0.00 -1.51 -1.48 115.95 110.46 2f18 h TRP 165 Ca -0.45 0.02 -0.45 0.00 -0.00 0.00 0.00 58.89 58.01 2f18 h TRP 165 Cb 1.24 -0.28 -0.11 0.00 -0.00 0.00 0.00 29.16 30.01 2f18 h TRP 165 CO 0.53 0.35 -0.42 1.33 -0.00 0.00 0.00 178.44 180.22 2f18 n VAL 166 N -4.56 0.00 -3.53 2.65 0.24 -1.26 -1.30 118.33 110.57 2f18 n VAL 166 Ca 0.17 -2.20 -0.41 0.00 -2.04 0.00 0.00 64.34 59.85 2f18 n VAL 166 Cb 0.41 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 2f18 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2f18 s MET 167 N -3.28 2.59 0.59 7.34 -2.45 -1.26 -4.87 119.30 117.96 2f18 s MET 167 Ca 0.31 -1.86 -0.17 0.00 -1.25 0.00 0.00 55.69 52.73 2f18 s MET 167 Cb 0.02 -3.98 -0.04 0.00 1.25 0.00 0.00 34.83 32.08 2f18 s MET 167 CO 0.22 -1.21 1.10 -1.25 1.05 0.00 0.00 175.02 174.93 2f18 s PRO 168 N 1.22 3.21 0.59 4.11 0.04 -1.26 -3.12 135.00 139.78 2f18 s PRO 168 Ca 0.07 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2f18 s PRO 168 Cb -0.25 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2f18 s PRO 168 CO -0.01 -0.93 1.14 -3.47 0.04 0.00 0.00 177.00 173.76 2f18 n ASP 169 N -1.80 1.54 -0.16 6.66 2.03 0.01 -4.65 116.55 120.18 2f18 n ASP 169 Ca 0.10 0.86 0.03 0.00 0.52 0.00 0.00 54.79 56.31 2f18 n ASP 169 Cb 0.52 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2f18 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2f18 n GLU 170 N -1.17 2.14 -0.11 -0.67 1.02 -1.26 -4.42 120.64 116.16 2f18 n GLU 170 Ca 0.13 -0.53 -0.23 0.00 -0.02 0.00 0.00 57.16 56.52 2f18 n GLU 170 Cb 0.46 -0.99 -0.10 0.00 -0.02 0.00 0.00 31.44 30.79 2f18 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f18 n ALA 171 N -0.27 0.88 0.43 0.62 0.00 -1.26 -4.57 120.51 116.34 2f18 n ALA 171 Ca 0.03 -0.66 0.11 0.00 0.00 0.00 0.00 53.44 52.92 2f18 n ALA 171 Cb 0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 2f18 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2f18 n ASN 172 N -4.39 0.53 -4.76 0.00 3.02 -1.26 -4.55 115.26 103.84 2f18 n ASN 172 Ca -0.37 -0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 53.57 2f18 n ASN 172 Cb 0.72 1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 40.95 2f18 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2f18 s SER 173 N -4.10 6.97 0.26 6.41 1.04 -1.26 -4.76 113.70 118.25 2f18 s SER 173 Ca 0.01 2.42 -0.28 0.00 0.48 0.00 0.00 55.95 58.58 2f18 s SER 173 Cb 0.14 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 2f18 s SER 173 CO 0.84 -0.37 0.91 -2.28 0.98 0.00 0.00 173.24 173.32 2f18 s HIS 174 N -1.21 3.87 0.48 5.02 2.46 -1.26 -4.22 115.29 120.44 2f18 s HIS 174 Ca 0.48 1.82 0.18 0.00 0.47 0.00 0.00 55.06 58.01 2f18 s HIS 174 Cb -0.34 -2.92 1.20 0.00 -0.13 0.00 0.00 32.58 30.39 2f18 s HIS 174 CO 0.44 0.39 2.02 0.11 -2.47 0.00 0.00 174.74 175.23 2f18 h TRP 175 N 3.84 0.20 -0.46 3.88 5.08 -1.13 0.33 115.95 127.69 2f18 h TRP 175 Ca -0.46 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.47 2f18 h TRP 175 Cb 1.20 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 2f18 h TRP 175 CO 0.62 0.10 0.11 0.00 -1.28 0.00 0.00 178.44 177.98 2f18 h ARG 176 N 0.19 0.69 0.00 0.12 3.08 -1.92 -0.74 114.38 115.79 2f18 h ARG 176 Ca 0.21 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2f18 h ARG 176 Cb 0.57 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2f18 h ARG 176 CO -0.03 0.63 -0.83 -0.91 -1.07 0.00 0.00 179.97 177.75 2f18 h ASN 177 N 0.67 0.00 -0.44 7.04 2.35 -1.36 -0.91 115.58 122.93 2f18 h ASN 177 Ca 0.15 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2f18 h ASN 177 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2f18 h ASN 177 CO -0.00 0.73 0.13 0.58 -1.65 0.00 0.00 177.43 177.22 2f18 h VAL 178 N 0.00 1.22 -0.65 2.81 2.07 -0.83 -1.11 116.25 119.76 2f18 h VAL 178 Ca -0.03 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2f18 h VAL 178 Cb 1.59 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2f18 h VAL 178 CO 0.09 0.26 0.13 0.25 0.02 0.00 0.00 177.57 178.33 2f18 h LEU 179 N 0.56 0.98 -0.09 2.57 5.85 -1.08 -1.93 115.31 122.17 2f18 h LEU 179 Ca 0.14 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2f18 h LEU 179 Cb 0.27 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2f18 h LEU 179 CO -0.00 0.96 0.06 0.25 -0.34 0.00 0.00 178.44 179.36 2f18 h LEU 180 N 0.98 0.10 -0.75 2.25 5.85 -0.87 0.72 115.31 123.59 2f18 h LEU 180 Ca 0.20 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2f18 h LEU 180 Cb 0.38 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2f18 h LEU 180 CO 0.01 0.08 -0.56 0.06 -0.34 0.00 0.00 178.44 177.69 2f18 h GLN 181 N 0.12 0.18 -0.32 1.25 -0.00 -1.13 0.10 115.11 115.32 2f18 h GLN 181 Ca 0.03 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 2f18 h GLN 181 Cb -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 2f18 h GLN 181 CO -0.01 0.70 0.10 1.25 -0.00 0.00 0.00 178.83 180.87 2f18 h LEU 182 N 0.14 0.47 -0.93 0.06 5.85 -1.04 -1.15 115.31 118.71 2f18 h LEU 182 Ca -0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2f18 h LEU 182 Cb 1.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2f18 h LEU 182 CO 0.08 0.55 0.11 0.74 -0.34 0.00 0.00 178.44 179.58 2f18 h THR 183 N 0.36 1.24 -0.27 1.05 2.02 -0.54 -0.39 112.91 116.38 2f18 h THR 183 Ca 0.10 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2f18 h THR 183 Cb 0.25 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2f18 h THR 183 CO -0.00 0.33 0.10 -0.08 0.37 0.00 0.00 175.52 176.24 2f18 h GLU 184 N 0.86 0.42 -0.26 6.66 4.57 -0.71 0.14 114.58 126.25 2f18 h GLU 184 Ca 0.18 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 2f18 h GLU 184 Cb 0.35 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2f18 h GLU 184 CO 0.00 0.46 -0.26 0.78 -1.18 0.00 0.00 179.01 178.81 2f18 h GLY 185 N 0.29 0.69 1.93 1.92 0.00 -1.23 -2.78 103.07 103.89 2f18 h GLY 185 Ca 0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 2f18 h GLY 185 CO -0.01 0.64 -0.63 1.46 0.00 0.00 0.00 176.54 178.00 2f18 h GLN 186 N 0.35 0.07 -0.57 4.80 4.20 -0.25 -1.06 115.11 122.65 2f18 h GLN 186 Ca 0.04 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2f18 h GLN 186 Cb 0.83 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2f18 h GLN 186 CO 0.07 0.67 -0.08 1.15 -0.67 0.00 0.00 178.83 179.97 2f18 h THR 187 N 0.05 1.27 -0.44 -0.54 2.02 -0.74 -0.43 112.91 114.10 2f18 h THR 187 Ca -0.01 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 2f18 h THR 187 Cb 1.12 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2f18 h THR 187 CO 0.09 0.44 0.21 -0.25 0.37 0.00 0.00 175.52 176.38 2f18 h TRP 188 N 0.94 0.63 -0.63 3.16 7.01 -1.24 -2.07 115.95 123.75 2f18 h TRP 188 Ca 0.15 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 2f18 h TRP 188 Cb 0.65 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 2f18 h TRP 188 CO 0.04 0.52 0.19 -0.07 -2.79 0.00 0.00 178.44 176.34 2f18 h LEU 189 N 0.57 0.89 -0.37 0.65 3.38 -0.86 -0.47 115.31 119.08 2f18 h LEU 189 Ca 0.15 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2f18 h LEU 189 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2f18 h LEU 189 CO -0.02 0.83 -0.22 0.50 0.09 0.00 0.00 178.44 179.62 2f18 h LYS 190 N 0.92 0.81 -0.11 1.13 3.64 -0.87 0.13 116.57 122.22 2f18 h LYS 190 Ca 0.21 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2f18 h LYS 190 Cb 0.27 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2f18 h LYS 190 CO -0.01 1.01 0.01 0.37 -2.27 0.00 0.00 179.45 178.56 2f18 h GLN 191 N 0.61 0.19 0.00 1.90 4.15 -1.05 -2.69 115.11 118.22 2f18 h GLN 191 Ca 0.08 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.22 2f18 h GLN 191 Cb 0.79 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 2f18 h GLN 191 CO 0.06 0.42 -2.13 1.19 -1.93 0.00 0.00 178.83 176.44 2f18 n PHE 192 N -4.82 0.13 0.26 3.99 3.72 -0.21 -4.54 117.46 115.98 2f18 n PHE 192 Ca -0.06 0.04 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 2f18 n PHE 192 Cb 0.19 -0.84 -0.02 0.00 -0.94 0.00 0.00 39.48 37.87 2f18 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2f18 n MET 193 N -2.60 3.65 -3.81 -1.08 2.81 0.28 -4.97 117.12 111.38 2f18 n MET 193 Ca -0.20 -0.25 -0.27 0.00 -1.81 0.00 0.00 57.70 55.17 2f18 n MET 193 Cb 0.92 -0.87 0.04 0.00 -0.71 0.00 0.00 33.22 32.60 2f18 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2f18 n ASN 194 N -0.71 -3.98 -3.89 7.83 5.15 -0.20 -4.87 115.26 114.59 2f18 n ASN 194 Ca 0.02 -0.76 -0.11 0.00 -0.60 0.00 0.00 54.58 53.13 2f18 n ASN 194 Cb 0.11 -4.09 -0.10 0.00 -0.53 0.00 0.00 39.78 35.16 2f18 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2f18 s VAL 195 N -3.40 0.09 -0.21 3.44 -7.23 -1.18 -4.98 120.40 106.92 2f18 s VAL 195 Ca 0.47 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.88 2f18 s VAL 195 Cb -0.23 -0.40 0.06 0.00 0.56 0.00 0.00 36.38 36.38 2f18 s VAL 195 CO 0.81 -0.40 0.02 -0.89 -0.31 0.00 0.00 175.10 174.33 2f18 s THR 196 N -1.40 0.78 0.48 5.32 2.01 -1.26 -3.43 115.64 118.13 2f18 s THR 196 Ca -0.15 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 2f18 s THR 196 Cb -0.08 -1.25 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2f18 s THR 196 CO 0.01 -0.22 1.40 -2.84 -0.69 0.00 0.00 174.62 172.27 2f18 s PRO 197 N 1.74 3.53 0.00 4.92 0.02 -1.26 -4.92 135.00 139.03 2f18 s PRO 197 Ca -0.01 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.36 2f18 s PRO 197 Cb -0.17 -2.54 0.02 0.00 0.02 0.00 0.00 34.50 31.83 2f18 s PRO 197 CO -0.09 -0.91 0.73 0.25 -0.33 0.00 0.00 177.00 176.65 2f18 n THR 198 N -0.44 0.39 -5.11 0.99 -2.24 -1.26 -4.77 114.28 101.85 2f18 n THR 198 Ca 0.07 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 2f18 n THR 198 Cb 0.43 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 69.32 2f18 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f18 s ALA 199 N -0.46 1.93 0.01 6.98 0.00 -1.26 -0.74 121.76 128.23 2f18 s ALA 199 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2f18 s ALA 199 Cb 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2f18 s ALA 199 CO 0.02 0.36 0.05 0.45 0.00 0.00 0.00 175.76 176.64 2f18 s SER 200 N -0.06 5.45 -0.22 0.00 0.15 -0.43 -0.70 113.70 117.89 2f18 s SER 200 Ca -0.05 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2f18 s SER 200 Cb -0.13 -1.50 0.06 0.00 -1.71 0.00 0.00 66.02 62.74 2f18 s SER 200 CO 0.03 0.26 -0.04 0.86 1.20 0.00 0.00 173.24 175.55 2f18 s TRP 201 N -1.19 2.13 -0.52 3.44 -0.11 -1.26 -0.62 118.94 120.81 2f18 s TRP 201 Ca 0.23 -1.55 0.04 0.00 1.22 0.00 0.00 56.10 56.03 2f18 s TRP 201 Cb -0.12 -1.48 0.16 0.00 -1.50 0.00 0.00 33.47 30.54 2f18 s TRP 201 CO 0.14 -0.73 0.37 0.00 -4.62 0.00 0.00 176.95 172.11 2f18 s ALA 202 N 1.49 2.35 -0.68 5.86 0.00 -0.42 -4.84 121.76 125.52 2f18 s ALA 202 Ca -0.04 -2.94 0.25 0.00 0.00 0.00 0.00 51.96 49.23 2f18 s ALA 202 Cb -0.18 -1.84 0.47 0.00 0.00 0.00 0.00 23.12 21.57 2f18 s ALA 202 CO -0.07 -2.04 1.44 0.44 0.00 0.00 0.00 175.76 175.54 2f18 n ILE 203 N 2.71 0.41 0.00 0.00 -5.35 -1.26 -3.09 119.36 112.77 2f18 n ILE 203 Ca 0.22 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2f18 n ILE 203 Cb 0.41 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 2f18 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2f18 n ASP 204 N -2.13 2.46 -4.66 7.28 2.03 -1.26 -4.43 116.55 115.85 2f18 n ASP 204 Ca 0.04 -0.20 -0.38 0.00 0.52 0.00 0.00 54.79 54.77 2f18 n ASP 204 Cb 0.43 0.88 0.05 0.00 -0.72 0.00 0.00 41.12 41.77 2f18 n ASP 204 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2f18 n PRO 205 N -1.13 1.13 -2.81 -0.67 -0.02 -1.26 -4.82 135.00 125.41 2f18 n PRO 205 Ca 0.00 0.43 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 2f18 n PRO 205 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2f18 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2f18 n PHE 206 N -1.50 4.33 0.00 6.00 3.72 -1.26 -4.39 117.46 124.35 2f18 n PHE 206 Ca 0.13 -3.22 0.00 0.00 -0.05 0.00 0.00 57.45 54.31 2f18 n PHE 206 Cb 0.46 -2.05 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 2f18 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f18 n GLY 207 N 3.50 2.11 3.03 1.37 0.00 -1.10 -4.58 105.19 109.52 2f18 n GLY 207 Ca 0.36 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 2f18 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f18 s HIS 208 N -2.74 0.67 -0.00 1.61 3.76 -1.05 -4.64 115.29 112.89 2f18 s HIS 208 Ca 0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.68 2f18 s HIS 208 Cb 0.00 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 2f18 s HIS 208 CO 0.00 -0.03 -0.15 0.45 -0.85 0.00 0.00 174.74 174.15 2f18 s SER 209 N -0.81 3.97 0.00 1.40 0.15 -1.26 -1.01 113.70 116.14 2f18 s SER 209 Ca -0.02 -0.29 0.15 0.00 0.70 0.00 0.00 55.95 56.48 2f18 s SER 209 Cb -0.06 -0.76 0.69 0.00 -1.71 0.00 0.00 66.02 64.18 2f18 s SER 209 CO 0.00 0.30 1.46 -0.81 1.20 0.00 0.00 173.24 175.39 2f18 n PRO 210 N 1.91 0.09 0.23 5.44 -0.04 -1.26 -1.91 135.00 139.46 2f18 n PRO 210 Ca -0.16 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2f18 n PRO 210 Cb 0.52 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.08 2f18 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2f18 h THR 211 N 0.00 1.03 0.67 0.52 2.02 -1.95 -2.09 112.91 113.11 2f18 h THR 211 Ca 0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2f18 h THR 211 Cb 0.21 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2f18 h THR 211 CO 0.00 0.04 -0.32 0.24 0.37 0.00 0.00 175.52 175.85 2f18 h MET 212 N 0.04 -0.87 -0.09 6.66 2.86 -1.79 -1.54 114.93 120.20 2f18 h MET 212 Ca 0.01 0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2f18 h MET 212 Cb 0.05 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2f18 h MET 212 CO 0.00 -0.54 0.04 -1.00 1.06 0.00 0.00 176.91 176.46 2f18 h PRO 213 N -1.04 0.13 0.16 -0.22 0.13 -1.74 0.56 132.00 129.99 2f18 h PRO 213 Ca -0.09 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2f18 h PRO 213 Cb 0.72 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2f18 h PRO 213 CO 0.15 0.11 -0.20 -0.92 -0.23 0.00 0.00 178.00 176.91 2f18 h TYR 214 N 0.13 -0.51 -0.30 1.56 3.20 -1.14 0.10 116.97 120.01 2f18 h TYR 214 Ca 0.03 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 2f18 h TYR 214 Cb 0.03 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2f18 h TYR 214 CO 0.00 -0.29 -0.22 0.82 -1.64 0.00 0.00 178.16 176.83 2f18 h ILE 215 N -0.41 1.30 -0.52 1.81 2.04 -0.89 -3.02 117.51 117.83 2f18 h ILE 215 Ca 0.01 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2f18 h ILE 215 Cb 0.40 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2f18 h ILE 215 CO -0.07 0.44 0.21 -0.07 0.00 0.00 0.00 178.15 178.65 2f18 h LEU 216 N 0.42 0.72 -1.73 1.44 3.38 -0.81 -2.08 115.31 116.65 2f18 h LEU 216 Ca 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2f18 h LEU 216 Cb 0.77 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2f18 h LEU 216 CO 0.06 0.69 -0.17 -0.61 0.09 0.00 0.00 178.44 178.50 2f18 h GLN 217 N 0.70 0.00 -0.20 1.13 -0.00 -0.84 -0.25 115.11 115.65 2f18 h GLN 217 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2f18 h GLN 217 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.68 2f18 h GLN 217 CO -0.01 0.17 0.00 1.63 0.00 0.00 0.00 178.83 180.62 2f18 n LYS 218 N -4.04 1.74 -0.42 1.69 5.02 -0.88 -3.70 118.16 117.57 2f18 n LYS 218 Ca -0.02 -1.13 0.07 0.00 -2.02 0.00 0.00 58.31 55.21 2f18 n LYS 218 Cb 0.25 -1.37 0.16 0.00 -0.02 0.00 0.00 35.03 34.05 2f18 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2f18 n SER 219 N 0.36 1.85 0.00 4.39 7.64 -0.20 -1.82 113.62 125.84 2f18 n SER 219 Ca 0.15 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2f18 n SER 219 Cb 0.32 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2f18 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f18 n GLY 220 N -1.11 0.97 3.80 0.23 0.00 -1.13 -4.90 105.19 103.05 2f18 n GLY 220 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2f18 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f18 s PHE 221 N -3.23 3.01 0.00 1.61 0.40 -0.59 -4.80 117.98 114.36 2f18 s PHE 221 Ca 0.00 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 2f18 s PHE 221 Cb 0.00 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.50 2f18 s PHE 221 CO 0.00 -0.97 0.00 1.63 0.70 0.00 0.00 175.22 176.58 2f18 n LYS 222 N -1.55 2.40 -3.66 0.44 4.76 0.08 -4.58 118.16 116.05 2f18 n LYS 222 Ca 0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 2f18 n LYS 222 Cb 0.53 -0.83 -0.06 0.00 -1.84 0.00 0.00 35.03 32.83 2f18 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2f18 s ASN 223 N -1.65 -0.29 0.06 4.39 -0.87 -1.02 -3.84 114.94 111.71 2f18 s ASN 223 Ca 0.00 0.03 -0.12 0.00 -1.57 0.00 0.00 52.86 51.20 2f18 s ASN 223 Cb 0.00 0.42 0.01 0.00 -0.02 0.00 0.00 41.25 41.67 2f18 s ASN 223 CO 0.00 -0.65 0.26 0.00 -2.57 0.00 0.00 177.10 174.14 2f18 s MET 224 N -2.38 0.81 -0.02 -0.60 0.23 -0.22 -1.31 119.30 115.80 2f18 s MET 224 Ca -0.06 -0.65 0.04 0.00 -1.03 0.00 0.00 55.69 54.00 2f18 s MET 224 Cb -0.01 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 2f18 s MET 224 CO -0.02 -0.26 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.40 2f18 s LEU 225 N -2.29 1.99 0.13 0.18 0.20 0.21 -0.17 118.68 118.92 2f18 s LEU 225 Ca -0.02 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.55 2f18 s LEU 225 Cb 0.01 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 44.93 2f18 s LEU 225 CO -0.06 0.17 -0.07 0.27 -0.29 0.00 0.00 176.35 176.37 2f18 s ILE 226 N -0.25 0.93 0.00 6.68 -4.36 -0.18 -1.30 121.20 122.73 2f18 s ILE 226 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 2f18 s ILE 226 Cb -0.07 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.81 2f18 s ILE 226 CO -0.00 -0.75 0.00 1.67 0.24 0.00 0.00 174.94 176.10 2f18 n GLN 227 N -0.15 0.00 -2.94 0.37 -0.06 -1.18 -1.34 117.38 112.08 2f18 n GLN 227 Ca -0.10 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.46 2f18 n GLN 227 Cb 0.61 -0.37 -0.02 0.00 -4.06 0.00 0.00 30.24 26.40 2f18 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2f18 s ARG 228 N -1.57 3.76 0.17 3.69 0.52 -1.26 -4.76 118.95 119.49 2f18 s ARG 228 Ca 0.00 -2.05 0.09 0.00 -0.52 0.00 0.00 55.73 53.25 2f18 s ARG 228 Cb 0.00 -4.95 -0.04 0.00 0.52 0.00 0.00 34.95 30.48 2f18 s ARG 228 CO 0.00 -1.76 -0.20 0.95 0.02 0.00 0.00 175.30 174.31 2f18 s THR 229 N 2.25 1.94 0.18 0.02 -4.23 -1.26 -2.70 115.64 111.85 2f18 s THR 229 Ca 0.36 -1.91 -0.33 0.00 -1.18 0.00 0.00 61.69 58.63 2f18 s THR 229 Cb -0.04 -1.89 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 2f18 s THR 229 CO -0.06 -0.24 1.18 1.57 -0.54 0.00 0.00 174.62 176.52 2f18 n HIS 230 N 0.37 1.36 0.02 3.99 -0.00 -1.26 -4.73 115.22 114.96 2f18 n HIS 230 Ca -0.14 0.66 0.19 0.00 0.46 0.00 0.00 57.72 58.90 2f18 n HIS 230 Cb 0.56 -2.29 0.69 0.00 -0.12 0.00 0.00 29.99 28.83 2f18 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 2f18 h TYR 231 N 3.40 0.00 -0.10 1.57 -0.00 -1.79 0.80 116.97 120.85 2f18 h TYR 231 Ca -0.43 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.14 2f18 h TYR 231 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 2f18 h TYR 231 CO 0.54 0.00 -0.62 0.77 -0.00 0.00 0.00 178.16 178.85 2f18 h SER 232 N 0.00 0.39 -0.26 0.10 0.02 -1.88 -2.19 113.55 109.73 2f18 h SER 232 Ca 0.23 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2f18 h SER 232 Cb 0.94 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2f18 h SER 232 CO -0.00 0.91 -0.14 0.58 -1.14 0.00 0.00 176.83 177.04 2f18 h VAL 233 N 0.25 1.30 -0.62 2.27 2.07 -1.23 -1.61 116.25 118.69 2f18 h VAL 233 Ca -0.01 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.36 2f18 h VAL 233 Cb 1.15 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 2f18 h VAL 233 CO 0.10 0.38 0.29 0.11 0.02 0.00 0.00 177.57 178.48 2f18 h LYS 234 N 0.28 0.51 -0.33 1.57 1.57 -1.19 -0.13 116.57 118.84 2f18 h LYS 234 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2f18 h LYS 234 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2f18 h LYS 234 CO 0.04 0.34 0.12 -0.22 -0.57 0.00 0.00 179.45 179.16 2f18 h LYS 235 N 0.53 0.50 -0.26 3.15 3.64 -1.28 0.55 116.57 123.39 2f18 h LYS 235 Ca 0.30 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2f18 h LYS 235 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2f18 h LYS 235 CO -0.24 0.51 0.12 1.49 -2.27 0.00 0.00 179.45 179.05 2f18 h GLU 236 N 0.38 0.39 -0.08 1.90 4.57 -0.98 -0.91 114.58 119.85 2f18 h GLU 236 Ca 0.11 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 2f18 h GLU 236 Cb 0.20 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2f18 h GLU 236 CO -0.01 0.40 -0.67 -0.07 -1.18 0.00 0.00 179.01 177.48 2f18 h LEU 237 N 0.28 0.38 -0.66 1.64 3.38 -0.99 -2.97 115.31 116.38 2f18 h LEU 237 Ca 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2f18 h LEU 237 Cb 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2f18 h LEU 237 CO -0.01 0.95 0.34 0.00 0.09 0.00 0.00 178.44 179.81 2f18 h ALA 238 N 1.05 0.85 -0.19 1.53 0.00 -0.64 0.21 119.26 122.08 2f18 h ALA 238 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2f18 h ALA 238 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2f18 h ALA 238 CO 0.11 0.39 0.14 1.96 0.00 0.00 0.00 179.25 181.85 2f18 h GLN 239 N 0.91 0.06 -0.66 0.00 4.20 -1.01 -1.66 115.11 116.96 2f18 h GLN 239 Ca 0.23 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2f18 h GLN 239 Cb 0.08 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2f18 h GLN 239 CO -0.03 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 2f18 n GLN 240 N -4.49 2.70 -3.94 1.46 1.13 -0.88 -4.95 117.38 108.42 2f18 n GLN 240 Ca 0.01 -2.57 -0.26 0.00 -1.94 0.00 0.00 57.00 52.24 2f18 n GLN 240 Cb 0.23 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 2f18 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2f18 n ARG 241 N 1.55 -3.77 -0.71 -1.09 1.74 -0.51 -4.90 116.66 108.98 2f18 n ARG 241 Ca 0.23 0.46 -0.01 0.00 -0.77 0.00 0.00 57.85 57.75 2f18 n ARG 241 Cb 0.61 -4.80 0.20 0.00 -1.02 0.00 0.00 32.46 27.46 2f18 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2f18 n GLN 242 N -4.40 1.89 0.19 5.56 6.02 0.64 -4.62 117.38 122.66 2f18 n GLN 242 Ca -0.23 -3.14 0.12 0.00 -0.01 0.00 0.00 57.00 53.73 2f18 n GLN 242 Cb 0.65 -1.78 0.23 0.00 1.02 0.00 0.00 30.24 30.36 2f18 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2f18 h LEU 243 N 1.04 0.00 -8.68 1.08 3.38 -1.82 -3.41 115.31 106.89 2f18 h LEU 243 Ca 0.16 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.48 2f18 h LEU 243 Cb 1.53 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 42.02 2f18 h LEU 243 CO 0.31 0.00 -0.74 -1.61 0.09 0.00 0.00 178.44 176.48 2f18 s GLU 244 N -3.19 3.43 0.14 1.13 2.02 -1.26 -0.43 118.70 120.53 2f18 s GLU 244 Ca 0.08 -0.65 -0.16 0.00 0.02 0.00 0.00 54.97 54.26 2f18 s GLU 244 Cb 0.07 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.64 2f18 s GLU 244 CO 0.65 0.24 0.42 -0.59 0.02 0.00 0.00 175.26 176.00 2f18 s PHE 245 N 0.31 -0.15 -0.53 1.61 -0.12 -0.42 -4.28 117.98 114.41 2f18 s PHE 245 Ca -0.09 -0.17 -0.20 0.00 -0.05 0.00 0.00 56.93 56.42 2f18 s PHE 245 Cb -0.15 0.27 0.06 0.00 -0.63 0.00 0.00 43.02 42.57 2f18 s PHE 245 CO 0.05 -0.75 0.69 -0.51 -0.05 0.00 0.00 175.22 174.65 2f18 s LEU 246 N -2.83 4.84 -0.46 -1.99 1.43 0.09 -0.33 118.68 119.43 2f18 s LEU 246 Ca 0.05 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.05 2f18 s LEU 246 Cb 0.01 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2f18 s LEU 246 CO -0.09 -0.98 0.77 0.86 0.23 0.00 0.00 176.35 177.14 2f18 s TRP 247 N 2.89 2.99 0.36 0.29 -0.00 -0.45 -1.46 118.94 123.57 2f18 s TRP 247 Ca 0.17 0.10 0.08 0.00 -0.00 0.00 0.00 56.10 56.46 2f18 s TRP 247 Cb -0.18 -3.64 -0.03 0.00 -0.00 0.00 0.00 33.47 29.61 2f18 s TRP 247 CO 0.13 -1.00 0.25 -0.98 -0.00 0.00 0.00 176.95 175.35 2f18 s ARG 248 N 3.25 2.52 0.59 5.86 1.70 -0.16 -1.54 118.95 131.17 2f18 s ARG 248 Ca 0.29 -1.47 -0.17 0.00 -0.47 0.00 0.00 55.73 53.90 2f18 s ARG 248 Cb -0.13 -2.31 -0.04 0.00 -0.57 0.00 0.00 34.95 31.91 2f18 s ARG 248 CO 0.22 0.03 1.08 -0.65 -1.08 0.00 0.00 175.30 174.90 2f18 s GLN 249 N -3.96 3.23 0.59 3.89 -1.52 -1.26 -4.35 119.66 116.28 2f18 s GLN 249 Ca 0.41 1.36 0.30 0.00 -1.95 0.00 0.00 55.36 55.48 2f18 s GLN 249 Cb -0.03 -2.01 1.79 0.00 -0.22 0.00 0.00 33.01 32.53 2f18 s GLN 249 CO 0.25 -0.90 2.21 -0.84 -0.25 0.00 0.00 175.29 175.76 2f18 h ILE 250 N 0.61 0.49 -0.13 1.08 3.07 -1.94 -1.67 117.51 119.02 2f18 h ILE 250 Ca -0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2f18 h ILE 250 Cb 1.24 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2f18 h ILE 250 CO 0.56 0.00 0.00 -2.67 -1.05 0.00 0.00 178.15 174.99 2f18 n TRP 251 N -3.81 0.14 -2.76 0.16 2.14 -1.26 -4.62 117.44 107.43 2f18 n TRP 251 Ca -0.02 -0.07 -0.42 0.00 2.07 0.00 0.00 57.50 59.06 2f18 n TRP 251 Cb 0.16 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.62 2f18 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2f18 s ASP 252 N -1.78 6.19 0.15 -0.67 2.15 -0.63 -4.71 116.67 117.38 2f18 s ASP 252 Ca 0.30 -0.88 -0.08 0.00 0.43 0.00 0.00 52.55 52.31 2f18 s ASP 252 Cb 0.20 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 2f18 s ASP 252 CO 0.29 -1.55 1.44 -1.13 -0.17 0.00 0.00 175.17 174.06 2f18 h ASN 253 N 9.68 0.82 0.51 -0.34 -0.00 -1.88 -3.31 115.58 121.07 2f18 h ASN 253 Ca -0.26 -0.45 -0.30 0.00 -0.00 0.00 0.00 56.30 55.30 2f18 h ASN 253 Cb 1.06 -0.24 0.01 0.00 -0.00 0.00 0.00 38.32 39.16 2f18 h ASN 253 CO 1.21 1.21 -1.33 0.50 -0.00 0.00 0.00 177.43 179.03 2f18 h LYS 254 N 0.56 0.36 0.00 6.67 3.64 -1.98 -3.43 116.57 122.38 2f18 h LYS 254 Ca 0.01 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2f18 h LYS 254 Cb 1.15 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2f18 h LYS 254 CO 0.12 1.29 0.00 0.41 -2.27 0.00 0.00 179.45 179.00 2f18 n GLY 255 N 1.60 1.00 0.18 5.01 0.00 -1.25 -4.99 105.19 106.74 2f18 n GLY 255 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2f18 n GLY 255 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2f18 h ASP 256 N 0.00 0.00 0.21 1.61 3.04 -1.94 -1.73 116.42 117.61 2f18 h ASP 256 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2f18 h ASP 256 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2f18 h ASP 256 CO 0.00 0.00 -0.13 0.35 -2.04 0.00 0.00 179.24 177.42 2f18 n THR 257 N -2.48 0.00 -1.74 1.15 -2.24 -1.26 -4.96 114.28 102.76 2f18 n THR 257 Ca 0.01 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2f18 n THR 257 Cb 0.19 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 2f18 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f18 n ALA 258 N -0.60 2.06 -3.59 6.98 0.00 -0.65 -4.70 120.51 120.01 2f18 n ALA 258 Ca 0.15 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 2f18 n ALA 258 Cb 0.31 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.21 2f18 n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2f18 s LEU 259 N -0.99 1.39 0.20 0.00 2.96 -0.59 -4.89 118.68 116.75 2f18 s LEU 259 Ca 0.60 -0.18 -0.31 0.00 -0.22 0.00 0.00 54.13 54.01 2f18 s LEU 259 Cb -0.52 -0.56 -0.11 0.00 0.50 0.00 0.00 46.19 45.50 2f18 s LEU 259 CO 0.56 -0.04 1.60 0.12 -1.32 0.00 0.00 176.35 177.28 2f18 s PHE 260 N 0.90 2.98 -0.03 5.38 5.36 -1.25 -1.34 117.98 129.98 2f18 s PHE 260 Ca -0.11 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 2f18 s PHE 260 Cb -0.15 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 2f18 s PHE 260 CO 0.01 -3.64 -0.10 0.99 -1.46 0.00 0.00 175.22 171.02 2f18 s THR 261 N 0.93 0.91 -0.24 0.12 2.01 0.55 -1.05 115.64 118.86 2f18 s THR 261 Ca 0.70 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 2f18 s THR 261 Cb -0.46 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 2f18 s THR 261 CO 0.34 0.28 0.01 -2.28 -0.69 0.00 0.00 174.62 172.28 2f18 s HIS 262 N 0.21 3.02 -0.22 4.92 2.46 0.75 -1.30 115.29 125.14 2f18 s HIS 262 Ca -0.04 -0.78 -0.10 0.00 0.47 0.00 0.00 55.06 54.60 2f18 s HIS 262 Cb -0.10 -2.16 -0.05 0.00 -0.13 0.00 0.00 32.58 30.14 2f18 s HIS 262 CO 0.01 -0.49 0.15 1.41 -2.47 0.00 0.00 174.74 173.35 2f18 s MET 263 N 1.52 4.12 0.57 2.88 1.75 0.43 -1.01 119.30 129.57 2f18 s MET 263 Ca 0.06 -0.24 -0.18 0.00 -1.25 0.00 0.00 55.69 54.07 2f18 s MET 263 Cb -0.15 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 2f18 s MET 263 CO -0.00 0.16 1.12 -1.64 -0.65 0.00 0.00 175.02 174.01 2f18 s MET 264 N 0.78 3.22 0.13 4.11 -1.94 -0.45 -4.78 119.30 120.37 2f18 s MET 264 Ca 0.08 1.55 0.24 0.00 -1.71 0.00 0.00 55.69 55.84 2f18 s MET 264 Cb -0.13 -1.99 0.21 0.00 2.01 0.00 0.00 34.83 34.93 2f18 s MET 264 CO 0.02 -0.95 1.21 -1.00 -0.01 0.00 0.00 175.02 174.29 2f18 h PRO 265 N 0.90 0.00 0.00 2.03 0.13 -1.92 -3.46 132.00 129.68 2f18 h PRO 265 Ca -0.49 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.22 2f18 h PRO 265 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2f18 h PRO 265 CO 0.56 0.00 -0.20 1.19 -0.23 0.00 0.00 178.00 179.33 2f18 n PHE 266 N -2.24 -0.86 0.17 1.56 3.72 -1.26 -4.81 117.46 113.73 2f18 n PHE 266 Ca 0.02 -1.69 0.02 0.00 -0.05 0.00 0.00 57.45 55.75 2f18 n PHE 266 Cb 0.47 -0.33 0.30 0.00 -0.94 0.00 0.00 39.48 38.98 2f18 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2f18 h TYR 267 N 0.61 0.00 -4.16 1.38 3.20 -1.95 -3.46 116.97 112.60 2f18 h TYR 267 Ca -0.25 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.48 2f18 h TYR 267 Cb 0.93 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.06 2f18 h TYR 267 CO 0.00 0.46 -0.51 0.45 -1.64 0.00 0.00 178.16 176.92 2f18 s SER 268 N -6.78 0.22 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.88 2f18 s SER 268 Ca -0.02 -1.01 0.25 0.00 0.70 0.00 0.00 55.95 55.87 2f18 s SER 268 Cb 0.13 0.34 1.04 0.00 -1.71 0.00 0.00 66.02 65.82 2f18 s SER 268 CO 0.73 -0.77 1.72 0.00 1.20 0.00 0.00 173.24 176.12 2f18 n TYR 269 N -0.11 0.08 -1.33 3.44 0.18 -1.26 -4.48 117.16 113.68 2f18 n TYR 269 Ca -0.08 -0.04 -0.29 0.00 1.88 0.00 0.00 57.90 59.37 2f18 n TYR 269 Cb 0.63 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.73 2f18 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 2f18 s ASP 270 N -1.79 3.32 0.24 9.48 1.47 -1.26 -4.61 116.67 123.52 2f18 s ASP 270 Ca 0.36 1.21 -0.06 0.00 1.18 0.00 0.00 52.55 55.24 2f18 s ASP 270 Cb 0.19 -1.87 0.24 0.00 -0.34 0.00 0.00 42.92 41.14 2f18 s ASP 270 CO 0.30 -2.70 1.86 0.40 0.68 0.00 0.00 175.17 175.71 2f18 h ILE 271 N -1.59 1.26 0.00 2.11 2.04 -1.89 -1.94 117.51 117.49 2f18 h ILE 271 Ca -0.51 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2f18 h ILE 271 Cb 1.31 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2f18 h ILE 271 CO 0.58 0.29 -0.01 -0.65 0.00 0.00 0.00 178.15 178.36 2f18 h PRO 272 N 1.25 0.00 -0.18 2.37 0.11 -1.88 -2.17 132.00 131.50 2f18 h PRO 272 Ca 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 2f18 h PRO 272 Cb 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2f18 h PRO 272 CO -0.05 0.01 -0.02 0.72 -0.21 0.00 0.00 178.00 178.45 2f18 n HIS 273 N -3.40 0.64 0.00 0.65 8.25 -0.77 -3.80 115.22 116.80 2f18 n HIS 273 Ca -0.03 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.43 2f18 n HIS 273 Cb 0.09 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2f18 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2f18 n THR 274 N -0.88 0.00 0.37 1.59 -2.24 -0.82 -4.59 114.28 107.72 2f18 n THR 274 Ca 0.21 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 2f18 n THR 274 Cb 0.82 0.95 0.12 0.00 -2.10 0.00 0.00 70.33 70.13 2f18 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f18 n GLY 276 N 1.26 -1.95 0.14 0.00 0.00 -1.26 -3.56 105.19 99.81 2f18 n GLY 276 Ca 0.02 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 45.00 2f18 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f18 h PRO 277 N 0.00 0.00 -4.48 1.61 0.13 -1.93 -3.42 132.00 123.91 2f18 h PRO 277 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 2f18 h PRO 277 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2f18 h PRO 277 CO 0.00 0.00 -0.53 0.34 -0.23 0.00 0.00 178.00 177.58 2f18 s ASP 278 N -4.46 5.37 0.54 1.44 -1.08 -1.26 -3.38 116.67 113.84 2f18 s ASP 278 Ca 0.05 -1.80 0.28 0.00 -0.52 0.00 0.00 52.55 50.56 2f18 s ASP 278 Cb 0.10 -1.88 1.57 0.00 -1.46 0.00 0.00 42.92 41.24 2f18 s ASP 278 CO 0.45 -0.53 2.13 1.55 0.52 0.00 0.00 175.17 179.28 2f18 h PRO 279 N 8.19 0.00 -0.14 4.34 0.13 -1.79 -0.93 132.00 141.80 2f18 h PRO 279 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 2f18 h PRO 279 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2f18 h PRO 279 CO 0.72 0.08 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.18 2f18 h LYS 280 N 0.00 0.22 0.10 0.86 3.64 -1.92 -1.02 116.57 118.44 2f18 h LYS 280 Ca -0.00 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 2f18 h LYS 280 Cb 0.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2f18 h LYS 280 CO 0.01 0.39 -0.92 0.28 -2.27 0.00 0.00 179.45 176.94 2f18 h VAL 281 N 0.21 1.34 -0.29 2.00 2.07 -1.70 -3.36 116.25 116.52 2f18 h VAL 281 Ca 0.04 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 2f18 h VAL 281 Cb 0.42 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 2f18 h VAL 281 CO 0.03 0.66 0.05 0.00 0.02 0.00 0.00 177.57 178.32 2f18 n GLN 284 N -3.99 0.48 -0.23 0.00 6.02 -0.38 -2.09 117.38 117.19 2f18 n GLN 284 Ca -0.03 0.05 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 2f18 n GLN 284 Cb 0.10 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.03 2f18 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2f18 n PHE 285 N -1.15 0.45 -3.44 1.08 3.72 0.18 -4.09 117.46 114.22 2f18 n PHE 285 Ca 0.13 -0.82 -0.44 0.00 -0.05 0.00 0.00 57.45 56.27 2f18 n PHE 285 Cb 0.12 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 2f18 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2f18 s ASP 286 N -2.01 6.13 0.00 4.37 -1.08 -0.89 -4.94 116.67 118.25 2f18 s ASP 286 Ca 0.31 -2.32 0.18 0.00 -0.52 0.00 0.00 52.55 50.21 2f18 s ASP 286 Cb 0.25 -2.11 1.00 0.00 -1.46 0.00 0.00 42.92 40.60 2f18 s ASP 286 CO 0.07 -0.64 1.51 0.49 0.52 0.00 0.00 175.17 177.12 2f18 n PHE 287 N 4.43 0.00 1.40 -5.34 3.72 -1.26 -1.54 117.46 118.87 2f18 n PHE 287 Ca 0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.56 2f18 n PHE 287 Cb 0.42 -0.14 0.71 0.00 -0.94 0.00 0.00 39.48 39.54 2f18 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2f18 n LYS 288 N -1.14 0.47 -1.03 -1.08 4.81 -1.26 -4.14 118.16 114.78 2f18 n LYS 288 Ca 0.11 -0.06 -0.16 0.00 -0.87 0.00 0.00 58.31 57.33 2f18 n LYS 288 Cb 0.10 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 33.84 2f18 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2f18 n ARG 289 N -1.22 2.51 0.00 1.64 1.74 -0.59 -4.53 116.66 116.21 2f18 n ARG 289 Ca 0.14 -2.67 0.13 0.00 -0.77 0.00 0.00 57.85 54.67 2f18 n ARG 289 Cb 0.25 -2.06 0.35 0.00 -1.02 0.00 0.00 32.46 29.98 2f18 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2f18 n MET 290 N -0.69 1.14 0.00 5.56 2.81 -1.26 -4.29 117.12 120.39 2f18 n MET 290 Ca 0.48 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 2f18 n MET 290 Cb 1.46 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.49 2f18 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f18 n GLY 291 N 1.32 3.90 0.28 3.03 0.00 -1.21 -4.99 105.19 107.52 2f18 n GLY 291 Ca 0.13 -0.80 0.19 0.00 0.00 0.00 0.00 46.02 45.53 2f18 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2f18 h SER 292 N 0.59 0.00 -0.13 1.61 4.64 -1.90 -1.17 113.55 117.19 2f18 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f18 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2f18 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 2f18 n PHE 293 N -2.94 0.15 -1.29 4.77 3.72 -1.26 -4.95 117.46 115.66 2f18 n PHE 293 Ca -0.01 -0.07 -0.04 0.00 -0.05 0.00 0.00 57.45 57.27 2f18 n PHE 293 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2f18 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f18 n GLY 294 N 1.30 0.62 3.42 1.37 0.00 -0.44 -5.03 105.19 106.42 2f18 n GLY 294 Ca 0.17 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2f18 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f18 s LEU 295 N -1.02 2.51 0.29 0.99 1.43 -1.26 -5.05 118.68 116.57 2f18 s LEU 295 Ca 0.00 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 2f18 s LEU 295 Cb 0.00 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2f18 s LEU 295 CO 0.00 0.03 0.48 -0.94 0.23 0.00 0.00 176.35 176.15 2f18 s SER 296 N -3.07 0.24 -0.26 2.29 1.04 -1.26 -3.31 113.70 109.37 2f18 s SER 296 Ca 0.24 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.40 2f18 s SER 296 Cb -0.06 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 2f18 s SER 296 CO 0.11 -1.22 0.25 0.00 0.98 0.00 0.00 173.24 173.36 2f18 h PRO 298 N 8.10 0.00 -0.04 0.00 0.13 -1.97 -0.86 132.00 137.36 2f18 h PRO 298 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2f18 h PRO 298 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2f18 h PRO 298 CO 0.60 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.28 2f18 n TRP 299 N -2.38 0.04 -1.01 1.56 8.01 -1.26 -4.92 117.44 117.48 2f18 n TRP 299 Ca 0.00 -0.02 -0.00 0.00 -1.31 0.00 0.00 57.50 56.17 2f18 n TRP 299 Cb 0.16 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.46 2f18 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2f18 n LYS 300 N -0.33 -0.52 -4.05 -0.99 5.02 -0.33 -5.00 118.16 111.96 2f18 n LYS 300 Ca 0.19 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.31 2f18 n LYS 300 Cb 0.22 -3.57 -0.15 0.00 -0.02 0.00 0.00 35.03 31.51 2f18 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2f18 s VAL 301 N -1.76 2.39 0.61 -0.18 1.01 -1.26 -5.05 120.40 116.16 2f18 s VAL 301 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 2f18 s VAL 301 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2f18 s VAL 301 CO 0.00 0.32 1.00 -2.16 0.00 0.00 0.00 175.10 174.26 2f18 s PRO 302 N 1.27 3.46 0.72 2.72 0.04 -1.26 -4.53 135.00 137.42 2f18 s PRO 302 Ca 0.01 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 61.52 2f18 s PRO 302 Cb -0.15 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.29 2f18 s PRO 302 CO -0.08 -0.59 1.12 -2.14 0.04 0.00 0.00 177.00 175.35 2f18 s PRO 303 N -5.13 2.46 -0.02 0.56 0.02 -1.26 -4.77 135.00 126.85 2f18 s PRO 303 Ca 0.54 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.99 2f18 s PRO 303 Cb -0.11 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2f18 s PRO 303 CO 0.52 -1.52 -0.15 1.03 -0.33 0.00 0.00 177.00 176.56 2f18 s ARG 304 N -4.33 1.27 0.22 5.54 0.52 -1.26 -4.81 118.95 116.10 2f18 s ARG 304 Ca 0.66 -0.52 -0.32 0.00 -0.52 0.00 0.00 55.73 55.03 2f18 s ARG 304 Cb -0.21 -1.20 -0.13 0.00 0.52 0.00 0.00 34.95 33.93 2f18 s ARG 304 CO 0.47 0.28 1.49 2.41 0.02 0.00 0.00 175.30 179.97 2f18 n THR 305 N 2.85 0.63 -2.59 0.02 -1.04 -1.26 -4.92 114.28 107.98 2f18 n THR 305 Ca -0.15 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 2f18 n THR 305 Cb 0.54 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 2f18 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2f18 s ILE 306 N 0.28 4.06 0.20 12.58 -1.09 -1.26 -4.98 121.20 131.00 2f18 s ILE 306 Ca 0.71 1.77 -0.01 0.00 -2.23 0.00 0.00 60.65 60.90 2f18 s ILE 306 Cb -0.64 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 2f18 s ILE 306 CO 0.45 0.30 0.13 -0.94 -1.23 0.00 0.00 174.94 173.66 2f18 s SER 307 N -0.13 0.18 0.51 3.58 1.04 -1.26 -4.99 113.70 112.63 2f18 s SER 307 Ca 0.48 -1.40 0.22 0.00 0.48 0.00 0.00 55.95 55.74 2f18 s SER 307 Cb -0.27 0.38 1.35 0.00 0.10 0.00 0.00 66.02 67.58 2f18 s SER 307 CO 0.33 -0.84 2.08 0.44 0.98 0.00 0.00 173.24 176.23 2f18 h ASP 308 N 2.61 0.00 0.51 7.02 3.32 -2.00 0.59 116.42 128.47 2f18 h ASP 308 Ca -0.36 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.52 2f18 h ASP 308 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2f18 h ASP 308 CO 0.53 0.11 -0.77 1.56 -1.72 0.00 0.00 179.24 178.95 2f18 h GLN 309 N 0.00 0.20 -0.01 3.56 4.20 -1.99 -3.34 115.11 117.74 2f18 h GLN 309 Ca -0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2f18 h GLN 309 Cb 0.25 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2f18 h GLN 309 CO 0.01 0.88 -0.16 0.27 -0.67 0.00 0.00 178.83 179.16 2f18 n ASN 310 N -3.74 1.32 -0.10 1.46 0.23 -1.02 -4.68 115.26 108.72 2f18 n ASN 310 Ca -0.03 -1.16 -0.02 0.00 -0.53 0.00 0.00 54.58 52.84 2f18 n ASN 310 Cb 0.73 0.37 0.23 0.00 -2.08 0.00 0.00 39.78 39.03 2f18 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2f18 h VAL 311 N 1.25 1.21 -0.40 3.53 3.04 -1.01 0.25 116.25 124.12 2f18 h VAL 311 Ca 0.00 -0.74 -0.04 0.00 -1.01 0.00 0.00 66.70 64.90 2f18 h VAL 311 Cb 0.35 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 2f18 h VAL 311 CO 0.00 0.28 0.08 0.00 -1.01 0.00 0.00 177.57 176.92 2f18 h ALA 312 N 1.41 0.53 -0.47 3.17 0.00 -1.83 0.14 119.26 122.20 2f18 h ALA 312 Ca 0.17 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2f18 h ALA 312 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2f18 h ALA 312 CO -0.00 0.22 -0.19 0.00 0.00 0.00 0.00 179.25 179.27 2f18 h ALA 313 N 0.94 0.65 -0.60 0.00 0.00 -1.75 -1.38 119.26 117.12 2f18 h ALA 313 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2f18 h ALA 313 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2f18 h ALA 313 CO 0.00 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.89 2f18 h ARG 314 N 0.80 1.03 -0.67 0.00 2.47 -0.80 -2.55 114.38 114.65 2f18 h ARG 314 Ca 0.11 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 2f18 h ARG 314 Cb 0.77 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 2f18 h ARG 314 CO 0.06 0.99 0.18 0.77 0.56 0.00 0.00 179.97 182.53 2f18 h SER 315 N 0.95 1.00 -0.06 7.04 0.02 -0.61 -1.34 113.55 120.54 2f18 h SER 315 Ca 0.17 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2f18 h SER 315 Cb 0.52 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2f18 h SER 315 CO 0.03 0.95 -0.17 0.44 -1.14 0.00 0.00 176.83 176.93 2f18 h ASP 316 N 1.01 0.41 -0.18 3.07 5.19 -0.96 0.12 116.42 125.07 2f18 h ASP 316 Ca 0.22 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 2f18 h ASP 316 Cb 0.34 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2f18 h ASP 316 CO -0.00 0.60 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.37 2f18 h LEU 317 N 0.38 0.56 -0.18 1.55 3.38 -1.18 -1.81 115.31 118.01 2f18 h LEU 317 Ca 0.07 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 2f18 h LEU 317 Cb 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2f18 h LEU 317 CO 0.03 0.97 -0.11 0.25 0.09 0.00 0.00 178.44 179.68 2f18 h LEU 318 N 0.16 0.41 -1.17 1.67 5.85 -1.04 -2.41 115.31 118.78 2f18 h LEU 318 Ca 0.02 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 2f18 h LEU 318 Cb 0.85 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2f18 h LEU 318 CO 0.06 0.75 0.02 0.58 -0.34 0.00 0.00 178.44 179.52 2f18 h VAL 319 N 0.06 1.21 -0.72 1.05 2.07 -0.69 -0.72 116.25 118.51 2f18 h VAL 319 Ca 0.04 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2f18 h VAL 319 Cb 0.61 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2f18 h VAL 319 CO 0.03 0.28 0.34 -0.78 0.02 0.00 0.00 177.57 177.46 2f18 h ASP 320 N 0.57 0.95 -0.48 0.57 3.58 -1.19 0.01 116.42 120.44 2f18 h ASP 320 Ca 0.12 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2f18 h ASP 320 Cb 0.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2f18 h ASP 320 CO 0.01 0.83 0.20 1.56 -2.88 0.00 0.00 179.24 178.95 2f18 h GLN 321 N 1.01 0.72 -0.72 0.28 1.08 -0.81 -1.97 115.11 114.70 2f18 h GLN 321 Ca 0.25 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2f18 h GLN 321 Cb 0.13 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2f18 h GLN 321 CO -0.03 0.64 0.47 -1.49 -0.95 0.00 0.00 178.83 177.47 2f18 h TRP 322 N 0.64 0.89 -0.04 2.96 6.55 -0.82 -0.74 115.95 125.39 2f18 h TRP 322 Ca 0.16 0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.91 2f18 h TRP 322 Cb 0.19 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.17 2f18 h TRP 322 CO 0.00 0.55 -0.50 0.87 -1.05 0.00 0.00 178.44 178.31 2f18 h LYS 323 N 0.95 0.10 -0.09 0.49 1.57 -0.85 0.65 116.57 119.40 2f18 h LYS 323 Ca 0.27 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2f18 h LYS 323 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2f18 h LYS 323 CO -0.07 0.58 0.01 0.87 -0.57 0.00 0.00 179.45 180.27 2f18 h LYS 324 N 0.08 0.16 -0.98 3.15 1.57 -1.02 -2.76 116.57 116.77 2f18 h LYS 324 Ca 0.00 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2f18 h LYS 324 Cb 0.92 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 2f18 h LYS 324 CO 0.07 0.40 0.64 -0.22 -0.57 0.00 0.00 179.45 179.77 2f18 h LYS 325 N -0.10 1.21 0.00 3.15 3.64 -0.76 -1.90 116.57 121.81 2f18 h LYS 325 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2f18 h LYS 325 Cb 0.32 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2f18 h LYS 325 CO 0.00 0.80 -0.06 0.00 -2.27 0.00 0.00 179.45 177.93 2f18 h ALA 326 N 1.42 1.35 0.00 5.00 0.00 -0.76 -1.69 119.26 124.58 2f18 h ALA 326 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2f18 h ALA 326 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2f18 h ALA 326 CO -0.11 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.14 2f18 h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -1.05 -2.59 114.58 115.32 2f18 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f18 h GLU 327 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2f18 h GLU 327 CO 0.01 0.00 -0.11 1.28 -1.16 0.00 0.00 179.01 179.03 2f18 n LEU 328 N -2.90 0.82 -4.40 1.33 4.77 -0.63 -4.91 117.00 111.08 2f18 n LEU 328 Ca -0.01 -0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 55.58 2f18 n LEU 328 Cb 0.14 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2f18 n LEU 328 CO 0.21 0.15 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.75 2f18 s TYR 329 N -2.31 1.83 -0.67 -1.77 2.02 -0.98 -4.45 117.35 111.02 2f18 s TYR 329 Ca 0.32 -0.78 0.23 0.00 -0.37 0.00 0.00 57.07 56.47 2f18 s TYR 329 Cb 0.20 -1.06 0.07 0.00 -0.40 0.00 0.00 41.96 40.77 2f18 s TYR 329 CO 0.44 0.17 1.05 0.54 -1.57 0.00 0.00 175.55 176.18 2f18 n ARG 330 N -0.54 0.24 -3.87 -0.62 1.74 -1.26 -4.96 116.66 107.40 2f18 n ARG 330 Ca -0.05 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 2f18 n ARG 330 Cb 0.64 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2f18 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2f18 s THR 331 N -3.17 1.61 -0.37 0.55 -4.23 -1.26 -4.69 115.64 104.08 2f18 s THR 331 Ca 0.05 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2f18 s THR 331 Cb 0.15 -2.09 0.64 0.00 1.34 0.00 0.00 72.50 72.54 2f18 s THR 331 CO 0.80 0.00 1.73 -0.46 -0.54 0.00 0.00 174.62 176.15 2f18 n ASN 332 N -1.80 4.23 -4.18 3.99 6.94 -1.26 -4.84 115.26 118.34 2f18 n ASN 332 Ca -0.01 -3.19 -0.33 0.00 -0.02 0.00 0.00 54.58 51.02 2f18 n ASN 332 Cb 0.64 -0.75 -0.16 0.00 -2.36 0.00 0.00 39.78 37.16 2f18 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2f18 s VAL 333 N -2.76 2.33 -0.09 3.53 1.01 -1.26 -0.45 120.40 122.70 2f18 s VAL 333 Ca 0.49 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2f18 s VAL 333 Cb 0.40 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2f18 s VAL 333 CO 0.11 0.52 -0.20 -0.22 0.00 0.00 0.00 175.10 175.32 2f18 s LEU 334 N 1.13 2.34 -0.23 3.92 2.96 0.87 -4.96 118.68 124.71 2f18 s LEU 334 Ca 0.01 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.35 2f18 s LEU 334 Cb -0.14 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2f18 s LEU 334 CO -0.07 0.21 0.29 -0.22 -1.32 0.00 0.00 176.35 175.24 2f18 s LEU 335 N 0.08 4.12 -0.48 -0.68 2.96 -1.26 -1.03 118.68 122.39 2f18 s LEU 335 Ca -0.09 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2f18 s LEU 335 Cb -0.15 -2.32 0.13 0.00 0.50 0.00 0.00 46.19 44.34 2f18 s LEU 335 CO 0.06 -0.04 0.24 -0.63 -1.32 0.00 0.00 176.35 174.66 2f18 s ILE 336 N 1.35 2.11 0.52 6.68 -1.09 -0.03 -4.97 121.20 125.77 2f18 s ILE 336 Ca 0.13 -2.95 -0.22 0.00 -2.23 0.00 0.00 60.65 55.38 2f18 s ILE 336 Cb -0.14 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 2f18 s ILE 336 CO 0.07 -0.82 1.31 -2.84 -1.23 0.00 0.00 174.94 171.43 2f18 s PRO 337 N 0.05 3.30 -0.40 2.79 0.02 -1.26 -0.78 135.00 138.71 2f18 s PRO 337 Ca 0.17 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2f18 s PRO 337 Cb -0.25 -2.30 0.13 0.00 0.02 0.00 0.00 34.50 32.10 2f18 s PRO 337 CO -0.01 -1.03 0.22 -1.17 -0.33 0.00 0.00 177.00 174.68 2f18 s LEU 338 N -3.39 2.21 0.00 -5.54 2.96 0.15 -4.74 118.68 110.32 2f18 s LEU 338 Ca 0.69 -2.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 2f18 s LEU 338 Cb -0.38 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2f18 s LEU 338 CO 0.45 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 2f18 n GLY 339 N 3.81 -1.24 0.82 7.98 0.00 -1.26 -1.38 105.19 113.92 2f18 n GLY 339 Ca 0.08 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 2f18 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f18 n ASP 340 N 0.24 -0.33 -4.70 1.61 -0.08 -1.25 -3.34 116.55 108.70 2f18 n ASP 340 Ca 0.00 -1.15 -0.42 0.00 -1.51 0.00 0.00 54.79 51.71 2f18 n ASP 340 Cb 0.00 0.53 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 2f18 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2f18 s ASP 341 N -1.54 6.52 -1.52 1.67 1.11 -1.26 -1.41 116.67 120.23 2f18 s ASP 341 Ca 0.05 2.66 -0.15 0.00 0.18 0.00 0.00 52.55 55.29 2f18 s ASP 341 Cb -0.00 -2.58 0.13 0.00 1.07 0.00 0.00 42.92 41.54 2f18 s ASP 341 CO 0.01 -0.91 0.68 0.49 1.18 0.00 0.00 175.17 176.62 2f18 n PHE 342 N 4.81 -1.77 -1.92 4.23 3.72 0.58 -4.80 117.46 122.31 2f18 n PHE 342 Ca 0.16 0.67 -0.29 0.00 -0.05 0.00 0.00 57.45 57.94 2f18 n PHE 342 Cb 0.38 -2.87 0.10 0.00 -0.94 0.00 0.00 39.48 36.16 2f18 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2f18 s ARG 343 N -6.59 1.81 -1.14 -1.08 1.81 -1.13 -4.41 118.95 108.22 2f18 s ARG 343 Ca 0.62 0.03 -0.01 0.00 -1.72 0.00 0.00 55.73 54.65 2f18 s ARG 343 Cb -0.34 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 2f18 s ARG 343 CO 0.77 -1.68 0.96 1.19 -0.68 0.00 0.00 175.30 175.86 2f18 n PHE 344 N -3.36 -2.15 0.00 -0.53 3.72 -1.26 -4.73 117.46 109.16 2f18 n PHE 344 Ca 0.09 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.38 2f18 n PHE 344 Cb 0.61 -4.87 0.00 0.00 -0.94 0.00 0.00 39.48 34.28 2f18 n PHE 344 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2f18 n LYS 345 N -4.04 0.00 -2.21 -1.08 4.81 -1.26 -4.40 118.16 109.98 2f18 n LYS 345 Ca -0.23 0.16 -0.34 0.00 -0.87 0.00 0.00 58.31 57.03 2f18 n LYS 345 Cb 0.64 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 35.09 2f18 n LYS 345 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2f18 s GLN 346 N -0.83 3.36 0.27 1.64 -0.21 -1.26 -4.49 119.66 118.14 2f18 s GLN 346 Ca 0.00 1.45 -0.04 0.00 0.02 0.00 0.00 55.36 56.79 2f18 s GLN 346 Cb 0.00 -2.02 0.34 0.00 1.00 0.00 0.00 33.01 32.33 2f18 s GLN 346 CO 0.00 -0.81 1.95 -0.91 -2.12 0.00 0.00 175.29 173.39 2f18 h ASN 347 N 0.97 1.06 0.15 5.90 2.35 -1.96 -0.74 115.58 123.31 2f18 h ASN 347 Ca -0.49 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.20 2f18 h ASN 347 Cb 1.24 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2f18 h ASN 347 CO 0.57 0.77 -0.14 0.71 -1.65 0.00 0.00 177.43 177.69 2f18 h THR 348 N 1.26 1.08 -0.05 2.81 1.35 -1.99 -1.22 112.91 116.14 2f18 h THR 348 Ca 0.34 -0.49 -0.19 0.00 -0.55 0.00 0.00 66.41 65.52 2f18 h THR 348 Cb -0.15 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2f18 h THR 348 CO -0.07 0.14 -0.71 -0.08 -0.25 0.00 0.00 175.52 174.55 2f18 h GLU 349 N 0.00 0.58 -0.50 4.72 4.81 -1.53 -0.49 114.58 122.16 2f18 h GLU 349 Ca -0.00 -0.55 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2f18 h GLU 349 Cb 0.25 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2f18 h GLU 349 CO 0.02 1.17 0.20 -1.49 -0.73 0.00 0.00 179.01 178.18 2f18 h TRP 350 N 0.18 0.36 -0.35 0.92 4.06 -0.85 -1.93 115.95 118.34 2f18 h TRP 350 Ca -0.07 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2f18 h TRP 350 Cb 1.37 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.44 2f18 h TRP 350 CO 0.12 0.13 0.05 -0.44 -3.56 0.00 0.00 178.44 174.74 2f18 h ASP 351 N 0.39 0.56 -0.53 -3.49 3.32 -1.20 -0.83 116.42 114.64 2f18 h ASP 351 Ca 0.24 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2f18 h ASP 351 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2f18 h ASP 351 CO -0.22 0.68 0.09 1.62 -1.72 0.00 0.00 179.24 179.69 2f18 h VAL 352 N 0.41 1.25 -0.01 -1.35 3.04 -0.81 0.14 116.25 118.92 2f18 h VAL 352 Ca 0.11 -0.95 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 2f18 h VAL 352 Cb 0.37 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2f18 h VAL 352 CO 0.01 0.35 -0.25 1.56 -1.01 0.00 0.00 177.57 178.23 2f18 h GLN 353 N 0.88 0.19 -0.00 4.17 1.08 -1.32 -3.16 115.11 116.95 2f18 h GLN 353 Ca 0.18 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2f18 h GLN 353 Cb 0.39 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2f18 h GLN 353 CO 0.01 0.90 0.00 -0.09 -0.95 0.00 0.00 178.83 178.70 2f18 h ARG 354 N -0.45 0.00 -0.61 1.46 2.43 -1.02 -1.70 114.38 114.50 2f18 h ARG 354 Ca -0.03 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 2f18 h ARG 354 Cb 0.98 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2f18 h ARG 354 CO 0.05 0.05 0.06 0.28 -1.51 0.00 0.00 179.97 178.90 2f18 h VAL 355 N -0.05 1.26 -0.41 0.20 2.07 -1.11 0.55 116.25 118.77 2f18 h VAL 355 Ca 0.00 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2f18 h VAL 355 Cb 0.05 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2f18 h VAL 355 CO -0.00 0.39 -0.03 0.78 0.02 0.00 0.00 177.57 178.73 2f18 h ASN 356 N 0.95 0.74 -0.34 0.57 2.35 -1.52 -1.86 115.58 116.46 2f18 h ASN 356 Ca 0.18 -0.33 -0.10 0.00 -0.55 0.00 0.00 56.30 55.50 2f18 h ASN 356 Cb 0.48 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2f18 h ASN 356 CO 0.02 0.88 -0.16 1.88 -1.65 0.00 0.00 177.43 178.41 2f18 h TYR 357 N 0.57 0.89 -0.95 1.19 0.05 -1.11 -2.03 116.97 115.58 2f18 h TYR 357 Ca 0.11 -0.18 0.05 0.00 0.05 0.00 0.00 58.73 58.76 2f18 h TYR 357 Cb 0.52 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.99 2f18 h TYR 357 CO 0.04 0.90 0.62 0.93 -1.05 0.00 0.00 178.16 179.60 2f18 h GLU 358 N 0.71 1.13 -0.52 4.88 5.08 -0.69 0.74 114.58 125.90 2f18 h GLU 358 Ca 0.11 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2f18 h GLU 358 Cb 0.66 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2f18 h GLU 358 CO 0.05 0.74 -0.12 0.00 -1.00 0.00 0.00 179.01 178.68 2f18 h ARG 359 N 1.16 0.98 -0.27 2.33 3.08 -0.94 -0.81 114.38 119.91 2f18 h ARG 359 Ca 0.39 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2f18 h ARG 359 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2f18 h ARG 359 CO -0.13 1.03 0.07 -0.07 -1.07 0.00 0.00 179.97 179.80 2f18 h LEU 360 N 0.87 0.40 -0.57 3.04 3.38 -0.78 -2.39 115.31 119.26 2f18 h LEU 360 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2f18 h LEU 360 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2f18 h LEU 360 CO 0.05 0.52 0.32 -0.26 0.09 0.00 0.00 178.44 179.16 2f18 h PHE 361 N 0.26 0.77 -0.67 1.13 0.04 -0.69 0.59 116.94 118.36 2f18 h PHE 361 Ca 0.08 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2f18 h PHE 361 Cb 0.27 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 2f18 h PHE 361 CO 0.01 0.55 0.36 1.49 -0.60 0.00 0.00 178.31 180.12 2f18 h GLU 362 N 0.76 0.95 0.27 1.51 4.81 -1.08 -0.48 114.58 121.32 2f18 h GLU 362 Ca 0.20 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2f18 h GLU 362 Cb 0.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2f18 h GLU 362 CO -0.03 0.72 -0.13 1.25 -0.73 0.00 0.00 179.01 180.09 2f18 h HIS 363 N 0.93 -0.34 -0.49 0.92 2.76 -1.17 -2.92 115.15 114.84 2f18 h HIS 363 Ca 0.24 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2f18 h HIS 363 Cb 0.06 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2f18 h HIS 363 CO -0.00 -0.03 0.31 0.82 -1.30 0.00 0.00 177.93 177.72 2f18 h ILE 364 N -0.64 1.14 0.00 6.26 2.04 -0.82 -1.93 117.51 123.56 2f18 h ILE 364 Ca -0.04 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2f18 h ILE 364 Cb 0.45 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2f18 h ILE 364 CO 0.06 0.14 0.00 0.78 0.00 0.00 0.00 178.15 179.13 2f18 h ASN 365 N 0.65 0.00 0.07 1.72 2.35 -1.15 -2.67 115.58 116.54 2f18 h ASN 365 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2f18 h ASN 365 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2f18 h ASN 365 CO -0.04 0.00 -0.85 -1.54 -1.65 0.00 0.00 177.43 173.36 2f18 n SER 366 N -2.54 1.08 -4.28 5.81 3.41 -0.77 -4.75 113.62 111.58 2f18 n SER 366 Ca 0.01 -0.98 -0.45 0.00 -0.26 0.00 0.00 58.87 57.20 2f18 n SER 366 Cb 0.25 0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 64.97 2f18 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2f18 s GLN 367 N -2.92 3.09 0.38 4.33 -1.52 -0.91 -4.95 119.66 117.16 2f18 s GLN 367 Ca 0.10 -2.08 0.18 0.00 -1.95 0.00 0.00 55.36 51.60 2f18 s GLN 367 Cb 0.17 -4.23 1.09 0.00 -0.22 0.00 0.00 33.01 29.82 2f18 s GLN 367 CO 0.80 -1.28 1.74 0.00 -0.25 0.00 0.00 175.29 176.31 2f18 h ALA 368 N 8.21 2.18 -0.09 6.09 0.00 -1.85 -0.50 119.26 133.29 2f18 h ALA 368 Ca -0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2f18 h ALA 368 Cb 1.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2f18 h ALA 368 CO 0.87 -0.63 0.18 1.12 0.00 0.00 0.00 179.25 180.79 2f18 h HIS 369 N 0.40 0.00 0.00 0.00 2.07 -1.93 -0.29 115.15 115.40 2f18 h HIS 369 Ca 0.63 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.99 2f18 h HIS 369 Cb 1.56 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.52 2f18 h HIS 369 CO -0.00 0.00 -0.77 0.74 -3.07 0.00 0.00 177.93 174.82 2f18 h PHE 370 N 0.00 0.00 -6.12 6.12 0.04 -1.39 -3.48 116.94 112.12 2f18 h PHE 370 Ca 0.04 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.39 2f18 h PHE 370 Cb 0.41 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.60 2f18 h PHE 370 CO 0.00 0.77 -0.81 0.09 -0.60 0.00 0.00 178.31 177.76 2f18 n ASN 371 N -3.32 -2.00 -4.14 2.17 3.02 -0.12 -4.86 115.26 106.00 2f18 n ASN 371 Ca 0.01 -0.80 -0.22 0.00 -0.03 0.00 0.00 54.58 53.54 2f18 n ASN 371 Cb 0.84 -4.06 -0.14 0.00 -0.61 0.00 0.00 39.78 35.80 2f18 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2f18 s VAL 372 N -3.59 1.17 -0.25 2.41 1.01 -1.26 -1.02 120.40 118.87 2f18 s VAL 372 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2f18 s VAL 372 Cb -0.07 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.36 2f18 s VAL 372 CO 0.81 0.19 -0.05 -1.58 0.00 0.00 0.00 175.10 174.47 2f18 s GLN 373 N -0.72 1.72 0.02 2.72 2.00 -0.43 -4.36 119.66 120.61 2f18 s GLN 373 Ca 0.04 -1.16 0.06 0.00 -2.00 0.00 0.00 55.36 52.30 2f18 s GLN 373 Cb -0.07 -2.69 -0.03 0.00 0.80 0.00 0.00 33.01 31.02 2f18 s GLN 373 CO 0.00 -0.64 -0.16 0.00 -0.50 0.00 0.00 175.29 173.99 2f18 s ALA 374 N 1.29 2.65 0.11 1.58 0.00 -1.26 -1.00 121.76 125.13 2f18 s ALA 374 Ca -0.04 -1.14 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 2f18 s ALA 374 Cb -0.19 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.20 2f18 s ALA 374 CO -0.07 0.58 0.69 1.14 0.00 0.00 0.00 175.76 178.10 2f18 s GLN 375 N -1.34 1.13 0.42 0.00 0.00 -0.58 -4.89 119.66 114.40 2f18 s GLN 375 Ca 0.15 -0.42 -0.25 0.00 -0.00 0.00 0.00 55.36 54.84 2f18 s GLN 375 Cb -0.11 0.52 -0.08 0.00 0.00 0.00 0.00 33.01 33.34 2f18 s GLN 375 CO 0.05 -0.50 1.25 -0.06 0.00 0.00 0.00 175.29 176.03 2f18 s PHE 376 N -3.55 2.88 0.34 9.60 0.08 -1.26 -0.81 117.98 125.26 2f18 s PHE 376 Ca 0.02 1.47 -0.07 0.00 0.12 0.00 0.00 56.93 58.47 2f18 s PHE 376 Cb -0.01 -3.56 0.01 0.00 -0.57 0.00 0.00 43.02 38.89 2f18 s PHE 376 CO -0.12 -1.83 0.55 0.20 -0.10 0.00 0.00 175.22 173.92 2f18 s GLY 377 N -0.93 1.14 0.45 4.36 0.00 0.06 -4.77 107.32 107.63 2f18 s GLY 377 Ca 0.58 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 44.09 2f18 s GLY 377 CO 0.44 -0.81 0.31 -0.51 0.00 0.00 0.00 173.10 172.54 2f18 s THR 378 N -2.98 2.22 0.14 0.90 -4.23 -1.26 -4.17 115.64 106.25 2f18 s THR 378 Ca 0.26 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.11 2f18 s THR 378 Cb -0.02 -2.74 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 2f18 s THR 378 CO 0.17 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 176.11 2f18 h LEU 379 N 1.09 0.72 -1.14 4.79 5.85 -1.96 -2.38 115.31 122.28 2f18 h LEU 379 Ca -0.41 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 2f18 h LEU 379 Cb 1.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2f18 h LEU 379 CO 0.62 0.82 0.20 -0.61 -0.34 0.00 0.00 178.44 179.12 2f18 h GLN 380 N 0.60 0.80 -0.75 1.25 5.75 -1.95 -1.65 115.11 119.16 2f18 h GLN 380 Ca 0.13 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2f18 h GLN 380 Cb 0.42 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 2f18 h GLN 380 CO 0.01 0.68 0.26 0.93 -2.65 0.00 0.00 178.83 178.06 2f18 h GLU 381 N 0.79 1.15 0.53 1.69 5.08 -1.89 0.13 114.58 122.05 2f18 h GLU 381 Ca 0.19 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2f18 h GLU 381 Cb 0.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2f18 h GLU 381 CO -0.01 0.96 -0.27 -0.92 -1.00 0.00 0.00 179.01 177.77 2f18 h TYR 382 N 1.10 -0.70 -0.85 4.33 3.20 -0.89 -2.04 116.97 121.12 2f18 h TYR 382 Ca 0.25 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2f18 h TYR 382 Cb 0.27 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 2f18 h TYR 382 CO 0.02 -0.43 0.56 0.74 -1.64 0.00 0.00 178.16 177.41 2f18 h PHE 383 N -0.73 1.08 -0.78 -3.82 0.04 -1.08 -0.42 116.94 111.23 2f18 h PHE 383 Ca -0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2f18 h PHE 383 Cb 0.57 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2f18 h PHE 383 CO -0.05 0.68 0.39 -0.44 -0.60 0.00 0.00 178.31 178.29 2f18 h ASP 384 N 1.16 1.00 0.08 2.17 3.32 -0.63 -0.95 116.42 122.57 2f18 h ASP 384 Ca 0.31 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.09 2f18 h ASP 384 Cb -0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 2f18 h ASP 384 CO -0.07 0.83 -0.58 0.00 -1.72 0.00 0.00 179.24 177.70 2f18 h ALA 385 N 1.33 0.69 -0.58 3.45 0.00 -0.77 -1.01 119.26 122.37 2f18 h ALA 385 Ca 0.27 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2f18 h ALA 385 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2f18 h ALA 385 CO -0.04 0.70 0.20 0.28 0.00 0.00 0.00 179.25 180.40 2f18 h VAL 386 N 0.39 1.23 0.00 0.00 2.07 -0.56 -1.96 116.25 117.43 2f18 h VAL 386 Ca -0.00 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2f18 h VAL 386 Cb 1.13 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2f18 h VAL 386 CO 0.11 0.29 -0.39 0.45 0.02 0.00 0.00 177.57 178.05 2f18 h HIS 387 N 0.81 0.00 -0.59 1.57 -0.00 -1.02 -1.01 115.15 114.91 2f18 h HIS 387 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.46 2f18 h HIS 387 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 2f18 h HIS 387 CO 0.01 0.39 -0.02 1.96 -0.00 0.00 0.00 177.93 180.28 2f18 h GLN 388 N 0.00 1.05 -0.30 2.45 4.20 -0.83 0.04 115.11 121.72 2f18 h GLN 388 Ca -0.00 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 2f18 h GLN 388 Cb 0.91 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2f18 h GLN 388 CO 0.05 1.03 0.10 0.00 -0.67 0.00 0.00 178.83 179.35 2f18 h ALA 389 N 1.01 0.39 -0.27 3.87 0.00 -0.81 -1.24 119.26 122.21 2f18 h ALA 389 Ca 0.17 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2f18 h ALA 389 Cb 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2f18 h ALA 389 CO 0.03 0.02 0.06 1.49 0.00 0.00 0.00 179.25 180.85 2f18 h GLU 390 N 0.33 0.17 0.00 0.00 4.81 -0.99 -1.33 114.58 117.56 2f18 h GLU 390 Ca 0.10 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2f18 h GLU 390 Cb 0.23 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2f18 h GLU 390 CO -0.00 0.11 -0.18 0.00 -0.73 0.00 0.00 179.01 178.21 2f18 h ARG 391 N 0.17 0.00 0.00 1.92 3.08 -0.74 0.31 114.38 119.12 2f18 h ARG 391 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2f18 h ARG 391 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2f18 h ARG 391 CO -0.15 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2f18 n ALA 392 N -2.43 2.48 -1.09 0.04 0.00 -0.49 -4.85 120.51 114.17 2f18 n ALA 392 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2f18 n ALA 392 Cb 0.25 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 2f18 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f18 n GLY 393 N 0.59 0.63 0.08 0.00 0.00 0.10 -4.93 105.19 101.65 2f18 n GLY 393 Ca 0.11 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.59 2f18 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f18 n GLN 394 N -2.72 0.33 -3.50 1.61 10.64 -0.58 -4.91 117.38 118.24 2f18 n GLN 394 Ca -0.03 -0.16 -0.16 0.00 -1.83 0.00 0.00 57.00 54.82 2f18 n GLN 394 Cb 0.13 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 27.96 2f18 n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2f18 s ALA 395 N -2.78 -1.74 0.01 2.61 0.00 -1.26 -4.85 121.76 113.76 2f18 s ALA 395 Ca 0.18 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.34 2f18 s ALA 395 Cb 0.19 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 2f18 s ALA 395 CO 0.59 -0.46 -0.16 -1.83 0.00 0.00 0.00 175.76 173.90 2f18 s GLU 396 N -1.79 1.16 -0.02 0.00 -1.05 -1.26 -4.66 118.70 111.08 2f18 s GLU 396 Ca -0.08 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.09 2f18 s GLU 396 Cb -0.00 -1.16 -0.03 0.00 -0.44 0.00 0.00 34.13 32.50 2f18 s GLU 396 CO 0.04 0.31 -0.02 -0.06 0.95 0.00 0.00 175.26 176.47 2f18 s PHE 397 N -0.57 3.02 0.65 4.83 0.08 -1.26 -5.06 117.98 119.66 2f18 s PHE 397 Ca 0.05 0.06 -0.13 0.00 0.12 0.00 0.00 56.93 57.02 2f18 s PHE 397 Cb -0.07 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 2f18 s PHE 397 CO 0.00 0.43 1.06 -1.25 -0.10 0.00 0.00 175.22 175.36 2f18 s PRO 398 N -1.38 3.10 0.09 0.24 0.04 -1.26 -4.79 135.00 131.04 2f18 s PRO 398 Ca 0.17 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 2f18 s PRO 398 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2f18 s PRO 398 CO 0.08 -0.98 0.30 0.95 0.04 0.00 0.00 177.00 177.39 2f18 s THR 399 N -2.74 5.27 -0.05 1.26 -4.23 -1.26 -0.73 115.64 113.15 2f18 s THR 399 Ca 0.61 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2f18 s THR 399 Cb -0.15 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2f18 s THR 399 CO 0.46 0.13 0.19 -0.22 -0.54 0.00 0.00 174.62 174.63 2f18 s LEU 400 N -2.47 1.31 0.09 4.79 0.20 -0.54 -1.28 118.68 120.79 2f18 s LEU 400 Ca 0.37 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.41 2f18 s LEU 400 Cb -0.13 0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 46.31 2f18 s LEU 400 CO 0.25 -0.18 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.12 2f18 s SER 401 N -0.42 1.09 0.00 3.68 1.04 -0.36 -0.99 113.70 117.74 2f18 s SER 401 Ca -0.05 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.42 2f18 s SER 401 Cb -0.03 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2f18 s SER 401 CO 0.01 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2f18 n GLY 402 N 0.13 0.40 3.63 7.32 0.00 -1.26 -1.13 105.19 114.28 2f18 n GLY 402 Ca -0.13 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.37 2f18 n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2f18 s ASP 403 N -4.00 3.42 -0.42 1.61 -4.77 -1.26 -4.39 116.67 106.86 2f18 s ASP 403 Ca 0.00 -1.71 0.09 0.00 -3.30 0.00 0.00 52.55 47.63 2f18 s ASP 403 Cb 0.00 0.61 0.42 0.00 -1.09 0.00 0.00 42.92 42.86 2f18 s ASP 403 CO 0.00 -0.95 1.01 0.49 0.70 0.00 0.00 175.17 176.42 2f18 n PHE 404 N -1.10 2.56 -4.36 2.11 3.72 -0.18 -4.91 117.46 115.32 2f18 n PHE 404 Ca -0.12 -3.19 -0.27 0.00 -0.05 0.00 0.00 57.45 53.82 2f18 n PHE 404 Cb 0.66 -0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 2f18 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2f18 s PHE 405 N -3.32 2.07 -0.14 1.38 0.08 -1.26 -2.54 117.98 114.25 2f18 s PHE 405 Ca 0.41 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 2f18 s PHE 405 Cb 0.40 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2f18 s PHE 405 CO -0.11 0.27 0.36 0.99 -0.10 0.00 0.00 175.22 176.63 2f18 s THR 406 N -1.10 5.26 0.30 0.64 2.01 -1.26 -5.09 115.64 116.39 2f18 s THR 406 Ca 0.10 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 2f18 s THR 406 Cb -0.10 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 2f18 s THR 406 CO 0.05 0.38 1.36 -0.47 -0.69 0.00 0.00 174.62 175.25 2f18 s TYR 407 N 0.42 3.04 -0.04 4.92 5.04 -1.26 -4.80 117.35 124.66 2f18 s TYR 407 Ca 0.20 1.27 0.02 0.00 -2.44 0.00 0.00 57.07 56.11 2f18 s TYR 407 Cb -0.14 -3.73 0.01 0.00 0.35 0.00 0.00 41.96 38.45 2f18 s TYR 407 CO 0.06 -2.16 -0.08 0.00 -1.34 0.00 0.00 175.55 172.04 2f18 s ALA 408 N -0.67 0.87 -0.25 3.97 0.00 -1.26 -0.71 121.76 123.72 2f18 s ALA 408 Ca 0.53 -0.23 0.23 0.00 0.00 0.00 0.00 51.96 52.49 2f18 s ALA 408 Cb -0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2f18 s ALA 408 CO 0.49 0.07 1.01 -0.40 0.00 0.00 0.00 175.76 176.93 2f18 n ASP 409 N 3.73 0.76 -3.58 0.00 5.75 -1.21 -2.53 116.55 119.46 2f18 n ASP 409 Ca -0.22 0.27 -0.11 0.00 -0.01 0.00 0.00 54.79 54.71 2f18 n ASP 409 Cb 0.52 0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 41.14 2f18 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2f18 s ARG 410 N -3.36 0.62 6.90 0.11 1.70 -1.26 -4.76 118.95 118.89 2f18 s ARG 410 Ca -0.01 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 2f18 s ARG 410 Cb 0.10 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2f18 s ARG 410 CO 0.80 -0.19 0.00 0.45 -1.08 0.00 0.00 175.30 175.28 2f18 n SER 411 N 0.83 0.00 -1.51 -2.89 2.88 -1.26 -0.94 113.62 110.73 2f18 n SER 411 Ca -0.11 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.46 2f18 n SER 411 Cb 0.58 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.35 2f18 n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2f18 n ASP 412 N 3.21 4.58 -4.51 -3.46 5.75 -1.26 -4.88 116.55 115.98 2f18 n ASP 412 Ca 0.00 -3.12 -0.43 0.00 -0.01 0.00 0.00 54.79 51.23 2f18 n ASP 412 Cb 0.00 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.43 2f18 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2f18 s ASN 413 N -1.41 6.85 -0.04 -1.12 0.02 -0.12 -4.97 114.94 114.15 2f18 s ASN 413 Ca 0.50 -2.47 -0.18 0.00 -1.02 0.00 0.00 52.86 49.68 2f18 s ASN 413 Cb 0.40 -2.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.14 2f18 s ASN 413 CO 0.11 -1.02 0.51 -0.31 0.02 0.00 0.00 177.10 176.41 2f18 s TYR 414 N 2.99 3.64 -1.16 2.20 1.51 -1.26 -3.35 117.35 121.92 2f18 s TYR 414 Ca 0.45 1.04 -0.06 0.00 -1.01 0.00 0.00 57.07 57.50 2f18 s TYR 414 Cb -0.01 -2.51 0.07 0.00 -0.11 0.00 0.00 41.96 39.40 2f18 s TYR 414 CO -0.00 0.36 2.57 0.91 -1.11 0.00 0.00 175.55 178.28 2f18 n TRP 415 N 2.82 2.30 0.99 2.71 7.02 0.12 -2.78 117.44 130.62 2f18 n TRP 415 Ca -0.09 -2.66 0.11 0.00 -1.02 0.00 0.00 57.50 53.85 2f18 n TRP 415 Cb 0.51 -1.83 0.03 0.00 -2.42 0.00 0.00 31.31 27.60 2f18 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2f18 n SER 416 N 1.84 2.31 -0.10 -0.99 3.41 -1.23 -4.38 113.62 114.48 2f18 n SER 416 Ca 0.62 -1.66 -0.07 0.00 -0.26 0.00 0.00 58.87 57.50 2f18 n SER 416 Cb 0.32 0.33 0.10 0.00 -0.26 0.00 0.00 64.21 64.70 2f18 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2f18 h GLY 417 N 4.74 0.87 1.62 5.00 0.00 -1.34 -2.95 103.07 111.01 2f18 h GLY 417 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2f18 h GLY 417 CO 0.00 0.64 0.00 1.58 0.00 0.00 0.00 176.54 178.76 2f18 n TYR 418 N -4.14 0.00 0.33 5.60 4.11 -1.01 -1.32 117.16 120.73 2f18 n TYR 418 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.03 2f18 n TYR 418 Cb 0.39 -0.31 0.52 0.00 -0.00 0.00 0.00 39.34 39.94 2f18 n TYR 418 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2f18 n TYR 419 N -1.31 0.80 0.00 -3.48 4.01 -1.11 -3.92 117.16 112.14 2f18 n TYR 419 Ca 0.08 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 2f18 n TYR 419 Cb 0.15 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 2f18 n TYR 419 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2f18 n THR 420 N -2.25 0.00 -1.61 -0.72 -1.04 -0.43 -2.35 114.28 105.87 2f18 n THR 420 Ca 0.01 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.57 2f18 n THR 420 Cb 0.17 -0.04 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 2f18 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2f18 n SER 421 N -1.17 1.69 -3.53 8.00 7.64 -0.92 -2.69 113.62 122.65 2f18 n SER 421 Ca 0.00 1.17 -0.25 0.00 1.01 0.00 0.00 58.87 60.80 2f18 n SER 421 Cb 0.12 -1.32 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 2f18 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f18 n ARG 422 N 1.10 -1.50 0.27 1.43 3.00 -1.26 -3.98 116.66 115.72 2f18 n ARG 422 Ca 0.10 0.64 0.15 0.00 -0.01 0.00 0.00 57.85 58.73 2f18 n ARG 422 Cb 0.31 -4.61 0.75 0.00 0.00 0.00 0.00 32.46 28.91 2f18 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2f18 h PRO 423 N -1.49 0.00 -0.58 5.56 0.13 -1.83 -2.44 132.00 131.35 2f18 h PRO 423 Ca -0.61 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2f18 h PRO 423 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2f18 h PRO 423 CO 0.46 0.09 0.34 -0.92 -0.23 0.00 0.00 178.00 177.73 2f18 h TYR 424 N 0.00 0.63 0.00 1.56 5.03 -1.90 -1.38 116.97 120.91 2f18 h TYR 424 Ca -0.00 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.18 2f18 h TYR 424 Cb 0.39 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2f18 h TYR 424 CO 0.00 0.35 -0.69 0.45 -1.32 0.00 0.00 178.16 176.95 2f18 h HIS 425 N 0.67 0.00 -0.86 -3.82 -0.00 -1.81 -0.44 115.15 108.88 2f18 h HIS 425 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2f18 h HIS 425 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 2f18 h HIS 425 CO -0.07 0.69 0.43 0.87 -0.00 0.00 0.00 177.93 179.86 2f18 h LYS 426 N 0.00 1.22 -0.25 2.45 1.57 -1.23 -0.40 116.57 119.93 2f18 h LYS 426 Ca -0.01 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 2f18 h LYS 426 Cb 1.41 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2f18 h LYS 426 CO 0.09 0.92 -0.54 -0.09 -0.57 0.00 0.00 179.45 179.27 2f18 h ARG 427 N 1.22 0.81 -0.85 3.15 9.65 -0.97 -3.01 114.38 124.38 2f18 h ARG 427 Ca 0.30 -0.53 0.08 0.00 -1.10 0.00 0.00 59.98 58.73 2f18 h ARG 427 Cb 0.09 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 2f18 h ARG 427 CO -0.04 1.16 0.56 1.98 2.80 0.00 0.00 179.97 186.43 2f18 h MET 428 N 0.57 0.86 -0.80 0.20 4.05 -0.79 -1.62 114.93 117.40 2f18 h MET 428 Ca 0.01 -0.05 0.10 0.00 -0.28 0.00 0.00 59.70 59.47 2f18 h MET 428 Cb 1.15 -0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 31.68 2f18 h MET 428 CO 0.12 0.57 0.45 0.22 0.23 0.00 0.00 176.91 178.50 2f18 h ASP 429 N 0.89 0.63 0.37 1.39 3.58 -0.94 0.23 116.42 122.58 2f18 h ASP 429 Ca 0.38 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.72 2f18 h ASP 429 Cb 0.32 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2f18 h ASP 429 CO -0.15 0.36 -0.66 0.03 -2.88 0.00 0.00 179.24 175.93 2f18 h ARG 430 N 0.75 0.27 -0.09 0.28 2.47 -1.30 0.63 114.38 117.38 2f18 h ARG 430 Ca 0.39 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 2f18 h ARG 430 Cb 0.37 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2f18 h ARG 430 CO -0.25 0.84 -0.00 0.28 0.56 0.00 0.00 179.97 181.39 2f18 h VAL 431 N 0.19 1.26 -0.38 2.04 2.07 -0.92 -2.62 116.25 117.89 2f18 h VAL 431 Ca -0.02 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2f18 h VAL 431 Cb 1.20 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2f18 h VAL 431 CO 0.11 0.23 -0.02 0.25 0.02 0.00 0.00 177.57 178.16 2f18 h LEU 432 N -0.12 0.59 -0.54 2.57 5.85 -0.90 -1.49 115.31 121.25 2f18 h LEU 432 Ca 0.03 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.72 2f18 h LEU 432 Cb 0.37 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 2f18 h LEU 432 CO 0.01 0.67 0.02 -0.03 -0.34 0.00 0.00 178.44 178.77 2f18 h MET 433 N 0.59 0.14 -0.34 1.25 4.05 -0.69 0.11 114.93 120.03 2f18 h MET 433 Ca 0.12 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.39 2f18 h MET 433 Cb 0.40 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2f18 h MET 433 CO 0.02 0.09 -0.35 1.25 0.23 0.00 0.00 176.91 178.15 2f18 h HIS 434 N 0.14 1.01 -0.69 1.39 -0.00 -1.07 -2.53 115.15 113.39 2f18 h HIS 434 Ca 0.28 -0.30 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 2f18 h HIS 434 Cb 0.43 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 2f18 h HIS 434 CO -0.31 1.10 0.23 1.88 -0.00 0.00 0.00 177.93 180.83 2f18 h TYR 435 N 0.63 1.08 -0.19 5.26 0.05 -0.81 0.95 116.97 123.93 2f18 h TYR 435 Ca 0.05 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2f18 h TYR 435 Cb 0.93 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2f18 h TYR 435 CO 0.07 0.85 0.04 0.28 -1.05 0.00 0.00 178.16 178.35 2f18 h VAL 436 N 1.02 1.22 -0.26 -2.88 2.07 -0.95 0.71 116.25 117.16 2f18 h VAL 436 Ca 0.23 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2f18 h VAL 436 Cb 0.27 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2f18 h VAL 436 CO -0.01 0.22 0.06 -0.09 0.02 0.00 0.00 177.57 177.77 2f18 h ARG 437 N 0.12 0.16 -0.56 1.57 2.43 -1.08 -0.64 114.38 116.38 2f18 h ARG 437 Ca 0.06 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2f18 h ARG 437 Cb 0.29 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2f18 h ARG 437 CO 0.00 0.11 0.06 0.00 -1.51 0.00 0.00 179.97 178.63 2f18 h ALA 438 N 1.19 1.05 -0.42 2.80 0.00 -0.60 -0.11 119.26 123.16 2f18 h ALA 438 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2f18 h ALA 438 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2f18 h ALA 438 CO -0.15 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.58 2f18 h ALA 439 N 1.20 0.58 -0.44 0.00 0.00 -0.62 0.33 119.26 120.30 2f18 h ALA 439 Ca 0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2f18 h ALA 439 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2f18 h ALA 439 CO 0.01 0.48 -0.19 0.93 0.00 0.00 0.00 179.25 180.48 2f18 h GLU 440 N 0.64 0.86 -0.01 0.00 5.08 -0.94 -2.34 114.58 117.87 2f18 h GLU 440 Ca 0.10 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2f18 h GLU 440 Cb 0.67 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2f18 h GLU 440 CO 0.05 0.98 -0.02 1.98 -1.00 0.00 0.00 179.01 180.99 2f18 h MET 441 N 0.75 0.04 -0.69 2.33 4.05 -0.91 -2.17 114.93 118.32 2f18 h MET 441 Ca 0.11 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2f18 h MET 441 Cb 0.73 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 2f18 h MET 441 CO 0.06 0.58 0.46 -0.07 0.23 0.00 0.00 176.91 178.17 2f18 h LEU 442 N -0.50 0.73 0.00 3.39 3.38 -0.95 -2.12 115.31 119.24 2f18 h LEU 442 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2f18 h LEU 442 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2f18 h LEU 442 CO 0.01 0.51 -0.39 -1.54 0.09 0.00 0.00 178.44 177.11 2f18 n SER 443 N -4.45 0.60 0.24 -0.43 3.41 -0.88 -3.79 113.62 108.31 2f18 n SER 443 Ca 0.08 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 2f18 n SER 443 Cb 0.11 -0.11 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 2f18 n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f18 h ALA 444 N 2.67 1.09 0.00 7.33 0.00 -0.70 -3.11 119.26 126.54 2f18 h ALA 444 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2f18 h ALA 444 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2f18 h ALA 444 CO 0.00 0.21 -0.07 -1.49 0.00 0.00 0.00 179.25 177.90 2f18 h TRP 445 N 0.00 0.00 -2.88 0.00 4.06 -1.66 -3.44 115.95 112.03 2f18 h TRP 445 Ca -0.00 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.50 2f18 h TRP 445 Cb 0.59 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.61 2f18 h TRP 445 CO 0.00 0.07 -0.67 -1.01 -3.56 0.00 0.00 178.44 173.28 2f18 s HIS 446 N -4.24 1.81 -0.02 0.49 3.76 -1.18 -5.09 115.29 110.83 2f18 s HIS 446 Ca -0.03 -0.79 -0.16 0.00 -0.15 0.00 0.00 55.06 53.93 2f18 s HIS 446 Cb 0.13 -1.05 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 2f18 s HIS 446 CO 0.55 0.16 0.43 -1.12 -0.85 0.00 0.00 174.74 173.91 2f18 s SER 447 N -3.40 6.80 -0.00 1.40 0.01 -1.26 -4.99 113.70 112.26 2f18 s SER 447 Ca 0.29 0.95 0.07 0.00 1.31 0.00 0.00 55.95 58.58 2f18 s SER 447 Cb 0.05 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2f18 s SER 447 CO 0.11 0.25 -0.23 0.26 0.41 0.00 0.00 173.24 174.04 2f18 s TRP 448 N -0.72 2.43 0.54 2.43 0.52 -1.26 -5.04 118.94 117.83 2f18 s TRP 448 Ca 0.24 -0.36 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 2f18 s TRP 448 Cb -0.17 -1.49 -0.05 0.00 -1.15 0.00 0.00 33.47 30.61 2f18 s TRP 448 CO 0.13 0.08 1.28 0.34 0.02 0.00 0.00 176.95 178.80 2f18 s ASP 449 N -0.90 5.43 0.54 2.95 2.15 -1.26 -4.35 116.67 121.23 2f18 s ASP 449 Ca 0.11 2.58 0.25 0.00 0.43 0.00 0.00 52.55 55.92 2f18 s ASP 449 Cb -0.10 -2.62 1.41 0.00 -0.30 0.00 0.00 42.92 41.31 2f18 s ASP 449 CO 0.01 -1.45 2.00 1.23 -0.17 0.00 0.00 175.17 176.80 2f18 h GLY 450 N 1.44 0.00 2.00 2.66 0.00 -2.02 0.06 103.07 107.22 2f18 h GLY 450 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2f18 h GLY 450 CO 0.57 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.78 2f18 h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -1.70 114.93 118.84 2f18 h MET 451 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2f18 h MET 451 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2f18 h MET 451 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 2f18 n ALA 452 N -1.90 2.18 -2.58 6.32 0.00 0.01 -4.91 120.51 119.63 2f18 n ALA 452 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2f18 n ALA 452 Cb 0.17 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 2f18 n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f18 n ARG 453 N -2.07 -2.51 -0.01 0.00 1.74 -0.64 -4.90 116.66 108.27 2f18 n ARG 453 Ca 0.05 0.87 -0.13 0.00 -0.77 0.00 0.00 57.85 57.87 2f18 n ARG 453 Cb 0.37 -5.56 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 2f18 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2f18 h ILE 454 N -0.31 1.36 -0.77 0.55 1.08 -1.84 -2.30 117.51 115.27 2f18 h ILE 454 Ca -0.45 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 62.68 2f18 h ILE 454 Cb 1.33 2.23 -0.04 0.00 -3.07 0.00 0.00 36.82 37.27 2f18 h ILE 454 CO 0.52 0.33 0.42 -0.33 -0.69 0.00 0.00 178.15 178.40 2f18 h GLU 455 N -0.64 1.07 -0.10 2.37 3.07 -1.93 -0.99 114.58 117.42 2f18 h GLU 455 Ca -0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2f18 h GLU 455 Cb 0.58 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2f18 h GLU 455 CO 0.01 0.78 0.07 1.49 -1.40 0.00 0.00 179.01 179.96 2f18 h GLU 456 N 1.08 0.14 -0.28 2.33 4.81 -1.95 0.06 114.58 120.76 2f18 h GLU 456 Ca 0.27 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 2f18 h GLU 456 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2f18 h GLU 456 CO -0.04 0.10 -0.39 0.00 -0.73 0.00 0.00 179.01 177.95 2f18 h ARG 457 N 0.13 0.66 -0.38 1.92 -0.00 -1.00 -1.99 114.38 113.73 2f18 h ARG 457 Ca 0.04 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.98 59.06 2f18 h ARG 457 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 2f18 h ARG 457 CO -0.01 0.94 -0.26 -0.07 0.00 0.00 0.00 179.97 180.57 2f18 h LEU 458 N 0.55 0.80 -0.57 3.04 3.38 -1.04 -0.90 115.31 120.56 2f18 h LEU 458 Ca 0.05 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2f18 h LEU 458 Cb 0.91 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2f18 h LEU 458 CO 0.08 1.03 0.04 -0.08 0.09 0.00 0.00 178.44 179.59 2f18 h GLU 459 N 0.67 0.99 -0.16 1.13 4.81 -0.80 -0.11 114.58 121.11 2f18 h GLU 459 Ca 0.08 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2f18 h GLU 459 Cb 0.79 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2f18 h GLU 459 CO 0.06 0.97 0.11 0.37 -0.73 0.00 0.00 179.01 179.79 2f18 h GLN 460 N 0.88 0.21 -0.51 1.92 4.15 -1.16 -0.33 115.11 120.27 2f18 h GLN 460 Ca 0.17 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 2f18 h GLN 460 Cb 0.50 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2f18 h GLN 460 CO 0.02 0.14 0.28 0.00 -1.93 0.00 0.00 178.83 177.34 2f18 h ALA 461 N 1.06 0.66 -0.90 3.38 0.00 -0.81 -1.17 119.26 121.48 2f18 h ALA 461 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2f18 h ALA 461 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2f18 h ALA 461 CO -0.01 0.18 0.51 0.00 0.00 0.00 0.00 179.25 179.93 2f18 h ARG 462 N 0.68 1.24 -0.04 0.00 3.08 -0.88 -1.97 114.38 116.49 2f18 h ARG 462 Ca 0.18 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 2f18 h ARG 462 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2f18 h ARG 462 CO -0.03 0.89 -0.77 0.00 -1.07 0.00 0.00 179.97 178.99 2f18 h ARG 463 N 1.25 0.29 -0.12 0.04 3.08 -0.59 0.81 114.38 119.15 2f18 h ARG 463 Ca 0.32 -0.26 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 2f18 h ARG 463 Cb -0.00 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2f18 h ARG 463 CO -0.05 0.93 -0.77 0.93 -1.07 0.00 0.00 179.97 179.93 2f18 h GLU 464 N 0.19 0.65 -0.49 0.04 4.39 -1.07 0.08 114.58 118.36 2f18 h GLU 464 Ca -0.03 -0.54 -0.12 0.00 0.34 0.00 0.00 59.36 59.01 2f18 h GLU 464 Cb 1.36 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 2f18 h GLU 464 CO 0.12 1.15 -0.15 1.25 -1.16 0.00 0.00 179.01 180.23 2f18 h LEU 465 N 0.44 0.96 -0.75 1.33 5.85 -1.33 -2.63 115.31 119.18 2f18 h LEU 465 Ca -0.05 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2f18 h LEU 465 Cb 1.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2f18 h LEU 465 CO 0.15 1.09 0.23 0.28 -0.34 0.00 0.00 178.44 179.86 2f18 h SER 466 N 0.84 1.09 -0.96 1.25 0.02 -0.64 -2.40 113.55 112.75 2f18 h SER 466 Ca 0.13 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2f18 h SER 466 Cb 0.70 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2f18 h SER 466 CO 0.05 1.01 0.63 0.25 -1.14 0.00 0.00 176.83 177.63 2f18 h LEU 467 N 1.11 1.07 -1.07 5.07 5.85 -0.83 -1.75 115.31 124.76 2f18 h LEU 467 Ca 0.24 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2f18 h LEU 467 Cb 0.31 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2f18 h LEU 467 CO -0.01 0.75 0.00 0.15 -0.34 0.00 0.00 178.44 178.99 2f18 h PHE 468 N 1.25 0.00 0.00 1.25 3.57 -1.06 -1.67 116.94 120.27 2f18 h PHE 468 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2f18 h PHE 468 Cb -0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2f18 h PHE 468 CO -0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 2f18 n GLN 469 N -2.53 0.03 -1.48 1.11 1.13 -0.66 -0.77 117.38 114.22 2f18 n GLN 469 Ca 0.01 0.25 -0.38 0.00 -1.94 0.00 0.00 57.00 54.94 2f18 n GLN 469 Cb 0.23 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.12 2f18 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2f18 n HIS 470 N -1.46 -0.52 1.13 1.08 -0.00 -0.63 -0.81 115.22 113.99 2f18 n HIS 470 Ca 0.04 0.45 0.06 0.00 -0.00 0.00 0.00 57.72 58.27 2f18 n HIS 470 Cb 0.15 -1.98 0.36 0.00 -0.00 0.00 0.00 29.99 28.52 2f18 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2f18 n HIS 471 N -1.62 0.00 -0.42 1.57 1.44 -1.18 -0.60 115.22 114.41 2f18 n HIS 471 Ca 0.12 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.85 2f18 n HIS 471 Cb 0.47 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.61 2f18 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2f18 n ASP 472 N -0.83 1.88 0.00 4.39 8.00 -1.26 -4.67 116.55 124.06 2f18 n ASP 472 Ca 0.09 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.38 2f18 n ASP 472 Cb 0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2f18 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f18 n GLY 473 N -0.69 -0.11 0.32 0.44 0.00 0.23 -3.19 105.19 102.20 2f18 n GLY 473 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 2f18 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2f18 h ILE 474 N 0.00 0.57 0.00 -0.61 2.10 -0.93 -0.35 117.51 118.29 2f18 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2f18 h ILE 474 Cb 0.00 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 2f18 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 2f18 h THR 475 N 0.00 0.00 -0.94 2.19 1.35 -1.82 -3.43 112.91 110.26 2f18 h THR 475 Ca 0.07 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.64 2f18 h THR 475 Cb 0.35 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 2f18 h THR 475 CO -0.00 0.00 -0.18 0.61 -0.25 0.00 0.00 175.52 175.70 2f18 n GLY 476 N -0.67 0.22 0.79 5.82 0.00 -0.14 -4.40 105.19 106.81 2f18 n GLY 476 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2f18 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f18 n THR 477 N -3.79 2.29 -3.69 2.61 -2.24 -1.24 -4.52 114.28 103.70 2f18 n THR 477 Ca -0.09 -2.38 -0.21 0.00 -2.27 0.00 0.00 64.05 59.10 2f18 n THR 477 Cb 0.51 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2f18 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f18 s ALA 478 N -3.02 3.96 0.80 6.98 0.00 -1.19 -4.86 121.76 124.42 2f18 s ALA 478 Ca 0.41 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 2f18 s ALA 478 Cb 0.35 -1.19 0.07 0.00 0.00 0.00 0.00 23.12 22.36 2f18 s ALA 478 CO 0.03 -0.07 1.12 0.15 0.00 0.00 0.00 175.76 176.99 2f18 s LYS 479 N -4.06 1.95 0.20 0.00 1.02 -0.23 -4.69 119.74 113.93 2f18 s LYS 479 Ca 0.44 1.34 -0.11 0.00 0.02 0.00 0.00 55.97 57.66 2f18 s LYS 479 Cb -0.06 -1.85 0.26 0.00 -0.52 0.00 0.00 37.83 35.66 2f18 s LYS 479 CO 0.27 -1.90 1.70 1.15 -0.92 0.00 0.00 175.35 175.66 2f18 h THR 480 N -1.16 0.64 0.00 2.17 2.02 -1.94 0.34 112.91 114.98 2f18 h THR 480 Ca -0.44 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2f18 h THR 480 Cb 1.25 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2f18 h THR 480 CO 0.49 0.04 -0.01 1.12 0.37 0.00 0.00 175.52 177.53 2f18 h HIS 481 N 0.22 0.00 0.09 3.16 2.07 -1.96 -1.87 115.15 116.86 2f18 h HIS 481 Ca 0.29 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.57 2f18 h HIS 481 Cb 0.44 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.44 2f18 h HIS 481 CO -0.26 0.01 -1.01 0.28 -3.07 0.00 0.00 177.93 173.87 2f18 h VAL 482 N 0.00 1.36 -0.97 6.12 2.07 -1.32 -2.12 116.25 121.40 2f18 h VAL 482 Ca -0.00 -2.37 0.07 0.00 0.82 0.00 0.00 66.70 65.22 2f18 h VAL 482 Cb 0.51 2.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 2f18 h VAL 482 CO 0.00 0.71 0.62 0.58 0.02 0.00 0.00 177.57 179.50 2f18 h VAL 483 N 0.08 1.05 -0.68 2.57 2.07 -0.83 -0.85 116.25 119.66 2f18 h VAL 483 Ca -0.15 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2f18 h VAL 483 Cb 1.72 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2f18 h VAL 483 CO 0.19 0.20 0.21 0.58 0.02 0.00 0.00 177.57 178.78 2f18 h VAL 484 N 1.09 1.25 -0.39 2.57 2.07 -1.28 -0.05 116.25 121.51 2f18 h VAL 484 Ca 0.43 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2f18 h VAL 484 Cb 0.24 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2f18 h VAL 484 CO -0.18 0.34 0.22 -0.78 0.02 0.00 0.00 177.57 177.19 2f18 h ASP 485 N 0.99 0.48 -0.78 0.57 3.58 -0.61 0.24 116.42 120.90 2f18 h ASP 485 Ca 0.22 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2f18 h ASP 485 Cb 0.30 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2f18 h ASP 485 CO -0.01 0.43 0.42 1.88 -2.88 0.00 0.00 179.24 179.08 2f18 h TYR 486 N 0.51 1.07 -0.49 0.28 0.05 -0.73 -0.83 116.97 116.82 2f18 h TYR 486 Ca 0.14 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2f18 h TYR 486 Cb 0.04 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 2f18 h TYR 486 CO -0.03 0.75 0.20 1.49 -1.05 0.00 0.00 178.16 179.53 2f18 h GLU 487 N 1.08 0.73 -0.54 4.88 4.81 -0.64 -0.48 114.58 124.41 2f18 h GLU 487 Ca 0.27 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2f18 h GLU 487 Cb 0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2f18 h GLU 487 CO -0.04 0.64 0.25 1.96 -0.73 0.00 0.00 179.01 181.09 2f18 h GLN 488 N 0.65 0.79 -0.72 1.92 4.20 -0.68 0.13 115.11 121.40 2f18 h GLN 488 Ca 0.16 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2f18 h GLN 488 Cb 0.18 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2f18 h GLN 488 CO -0.02 0.66 0.42 0.00 -0.67 0.00 0.00 178.83 179.23 2f18 h ARG 489 N 0.73 0.99 -0.11 1.46 3.08 -0.97 -1.57 114.38 118.00 2f18 h ARG 489 Ca 0.19 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 2f18 h ARG 489 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2f18 h ARG 489 CO -0.02 0.72 -0.43 0.52 -1.07 0.00 0.00 179.97 179.69 2f18 h MET 490 N 0.99 0.25 -0.67 0.04 2.86 -0.53 -1.06 114.93 116.81 2f18 h MET 490 Ca 0.26 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2f18 h MET 490 Cb -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2f18 h MET 490 CO -0.05 0.64 0.17 0.37 1.06 0.00 0.00 176.91 179.10 2f18 h GLN 491 N 0.21 1.07 -0.63 1.72 5.75 -0.37 -0.12 115.11 122.73 2f18 h GLN 491 Ca 0.02 -0.26 -0.07 0.00 -0.15 0.00 0.00 58.65 58.19 2f18 h GLN 491 Cb 0.85 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 2f18 h GLN 491 CO 0.07 0.95 0.11 0.93 -2.65 0.00 0.00 178.83 178.24 2f18 h GLU 492 N 1.00 1.03 -0.67 1.69 4.39 -0.98 -1.77 114.58 119.27 2f18 h GLU 492 Ca 0.21 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2f18 h GLU 492 Cb 0.36 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2f18 h GLU 492 CO 0.00 0.94 0.17 0.00 -1.16 0.00 0.00 179.01 178.95 2f18 h ALA 493 N 1.15 0.88 -0.83 3.43 0.00 -0.79 -0.47 119.26 122.62 2f18 h ALA 493 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2f18 h ALA 493 Cb 0.40 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2f18 h ALA 493 CO 0.01 0.59 0.47 -0.07 0.00 0.00 0.00 179.25 180.25 2f18 h LEU 494 N 0.99 1.03 -0.83 0.00 3.38 -0.66 -0.68 115.31 118.54 2f18 h LEU 494 Ca 0.21 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2f18 h LEU 494 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2f18 h LEU 494 CO 0.00 0.82 0.02 0.11 0.09 0.00 0.00 178.44 179.48 2f18 h LYS 495 N 1.16 0.89 -0.47 1.13 1.57 -0.89 -0.31 116.57 119.65 2f18 h LYS 495 Ca 0.30 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2f18 h LYS 495 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2f18 h LYS 495 CO -0.05 0.88 0.25 0.00 -0.57 0.00 0.00 179.45 179.96 2f18 h ALA 496 N 1.18 0.61 -0.39 3.86 0.00 -0.74 -1.03 119.26 122.75 2f18 h ALA 496 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2f18 h ALA 496 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2f18 h ALA 496 CO 0.02 0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.62 2f18 h GLN 498 N 0.50 0.52 -0.38 0.00 4.20 -0.80 0.15 115.11 119.30 2f18 h GLN 498 Ca 0.14 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.85 2f18 h GLN 498 Cb 0.07 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2f18 h GLN 498 CO -0.02 0.35 0.17 1.98 -0.67 0.00 0.00 178.83 180.64 2f18 h MET 499 N 0.54 0.35 -0.26 1.46 4.05 -0.96 0.24 114.93 120.34 2f18 h MET 499 Ca 0.18 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 2f18 h MET 499 Cb 0.02 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 2f18 h MET 499 CO -0.09 0.23 0.04 0.28 0.23 0.00 0.00 176.91 177.60 2f18 h VAL 500 N 0.36 1.23 -0.19 -5.77 2.07 -0.99 -1.78 116.25 111.19 2f18 h VAL 500 Ca 0.17 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.91 2f18 h VAL 500 Cb 0.10 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2f18 h VAL 500 CO -0.13 0.26 0.02 0.24 0.02 0.00 0.00 177.57 177.97 2f18 h MET 501 N 0.25 0.09 -0.14 1.57 2.07 -0.39 -1.23 114.93 117.15 2f18 h MET 501 Ca 0.08 -0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.56 2f18 h MET 501 Cb 0.34 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 2f18 h MET 501 CO 0.01 0.06 -0.55 -0.56 1.07 0.00 0.00 176.91 176.94 2f18 h GLN 502 N 0.09 0.40 -0.65 1.72 -0.00 -0.84 -0.40 115.11 115.44 2f18 h GLN 502 Ca 0.09 -0.25 -0.05 0.00 -0.00 0.00 0.00 58.65 58.43 2f18 h GLN 502 Cb 0.09 0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.57 2f18 h GLN 502 CO -0.13 0.84 0.20 1.96 -0.00 0.00 0.00 178.83 181.70 2f18 h GLN 503 N 0.31 0.98 -0.36 0.06 1.08 -1.23 -1.93 115.11 114.03 2f18 h GLN 503 Ca 0.01 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 2f18 h GLN 503 Cb 1.06 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2f18 h GLN 503 CO 0.09 0.85 0.07 0.77 -0.95 0.00 0.00 178.83 179.66 2f18 h SER 504 N 0.95 0.56 -0.88 1.46 0.02 -0.62 -2.02 113.55 113.02 2f18 h SER 504 Ca 0.21 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2f18 h SER 504 Cb 0.28 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2f18 h SER 504 CO -0.01 0.66 0.47 0.58 -1.14 0.00 0.00 176.83 177.40 2f18 h VAL 505 N 0.43 1.26 -0.63 2.27 2.07 -0.91 0.75 116.25 121.48 2f18 h VAL 505 Ca 0.11 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2f18 h VAL 505 Cb 0.33 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2f18 h VAL 505 CO 0.00 0.30 0.22 0.22 0.02 0.00 0.00 177.57 178.33 2f18 h TYR 506 N 1.24 1.00 -0.44 1.57 3.20 -1.18 -1.22 116.97 121.15 2f18 h TYR 506 Ca 0.31 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 2f18 h TYR 506 Cb 0.05 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2f18 h TYR 506 CO 0.01 0.81 -0.27 -0.09 -1.64 0.00 0.00 178.16 176.98 2f18 h ARG 507 N 0.90 0.96 0.00 1.82 2.43 -0.88 -2.66 114.38 116.96 2f18 h ARG 507 Ca 0.21 -0.44 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2f18 h ARG 507 Cb 0.27 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2f18 h ARG 507 CO -0.01 1.11 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.32 2f18 h LEU 508 N 0.80 0.00 -3.05 3.80 3.38 -0.49 -3.28 115.31 116.47 2f18 h LEU 508 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2f18 h LEU 508 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2f18 h LEU 508 CO 0.08 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.96 2f18 n LEU 509 N -3.34 2.63 -4.29 1.67 4.77 -0.49 -4.87 117.00 113.08 2f18 n LEU 509 Ca 0.00 -3.07 -0.31 0.00 -0.03 0.00 0.00 56.01 52.60 2f18 n LEU 509 Cb 0.40 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.88 2f18 n LEU 509 CO 0.32 0.70 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.63 2f18 s THR 510 N -2.86 2.13 0.09 -5.08 2.01 -1.01 -0.60 115.64 110.32 2f18 s THR 510 Ca 0.34 -1.05 -0.36 0.00 0.31 0.00 0.00 61.69 60.93 2f18 s THR 510 Cb 0.29 -1.77 -0.16 0.00 0.01 0.00 0.00 72.50 70.87 2f18 s THR 510 CO 0.04 0.57 1.35 1.17 -0.69 0.00 0.00 174.62 177.07 2f18 n LYS 511 N 2.86 1.23 -0.32 4.92 4.81 -0.23 -4.74 118.16 126.69 2f18 n LYS 511 Ca -0.17 0.44 0.08 0.00 -0.87 0.00 0.00 58.31 57.79 2f18 n LYS 511 Cb 0.52 -2.09 0.25 0.00 0.02 0.00 0.00 35.03 33.72 2f18 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2f18 h PRO 512 N 4.63 0.72 0.00 1.64 0.11 -1.92 -0.72 132.00 136.46 2f18 h PRO 512 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2f18 h PRO 512 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2f18 h PRO 512 CO 0.78 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.92 2f18 n SER 513 N -4.79 0.00 -0.04 -2.05 3.41 -1.26 -2.91 113.62 105.99 2f18 n SER 513 Ca 0.19 -1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 57.78 2f18 n SER 513 Cb 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 2f18 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2f18 n ILE 514 N -0.96 0.54 -1.68 -1.33 5.41 -0.37 -5.01 119.36 115.95 2f18 n ILE 514 Ca 0.21 -0.41 -0.52 0.00 1.00 0.00 0.00 62.75 63.03 2f18 n ILE 514 Cb 0.09 -0.44 -0.06 0.00 -0.71 0.00 0.00 39.64 38.53 2f18 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f18 n TYR 515 N -2.26 2.15 -3.27 1.39 9.36 -0.62 -4.91 117.16 119.00 2f18 n TYR 515 Ca -0.13 0.27 -0.23 0.00 3.32 0.00 0.00 57.90 61.13 2f18 n TYR 515 Cb 0.70 -2.55 -0.08 0.00 -0.63 0.00 0.00 39.34 36.78 2f18 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2f18 n SER 516 N 5.43 -0.83 -4.76 2.98 2.88 -1.26 -5.05 113.62 113.01 2f18 n SER 516 Ca 0.23 -2.51 -0.40 0.00 -1.33 0.00 0.00 58.87 54.86 2f18 n SER 516 Cb 0.23 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 2f18 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2f18 s PRO 517 N -0.00 4.52 -0.31 -1.46 0.04 -1.26 -5.01 135.00 131.51 2f18 s PRO 517 Ca 0.33 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2f18 s PRO 517 Cb 0.06 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.55 2f18 s PRO 517 CO -0.17 0.09 0.08 0.34 0.04 0.00 0.00 177.00 177.38 2f18 s ASP 518 N -0.93 5.14 0.00 6.66 -1.08 -1.26 -4.98 116.67 120.22 2f18 s ASP 518 Ca 0.47 -0.92 0.16 0.00 -0.52 0.00 0.00 52.55 51.74 2f18 s ASP 518 Cb -0.32 -1.86 0.80 0.00 -1.46 0.00 0.00 42.92 40.09 2f18 s ASP 518 CO 0.41 -0.25 1.45 0.49 0.52 0.00 0.00 175.17 177.79 2f18 n PHE 519 N 4.82 0.00 0.81 -5.34 3.72 -1.26 -1.48 117.46 118.74 2f18 n PHE 519 Ca -0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.36 2f18 n PHE 519 Cb 0.46 -0.28 0.04 0.00 -0.94 0.00 0.00 39.48 38.76 2f18 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f18 n SER 520 N -1.28 2.20 -4.88 4.37 3.41 -1.26 -4.99 113.62 111.19 2f18 n SER 520 Ca 0.08 -1.60 -0.31 0.00 -0.26 0.00 0.00 58.87 56.78 2f18 n SER 520 Cb 0.13 0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2f18 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2f18 s PHE 521 N -1.85 3.44 -0.68 7.33 5.36 -0.55 -5.04 117.98 125.99 2f18 s PHE 521 Ca 0.19 0.85 -0.15 0.00 -0.96 0.00 0.00 56.93 56.86 2f18 s PHE 521 Cb 0.15 -2.25 0.17 0.00 -0.34 0.00 0.00 43.02 40.75 2f18 s PHE 521 CO 0.35 0.21 0.65 -1.12 -1.46 0.00 0.00 175.22 173.84 2f18 s SER 522 N -2.60 6.46 0.21 6.13 0.01 -1.26 -4.88 113.70 117.77 2f18 s SER 522 Ca 0.47 -2.19 0.08 0.00 1.31 0.00 0.00 55.95 55.63 2f18 s SER 522 Cb -0.11 -2.22 0.14 0.00 0.21 0.00 0.00 66.02 64.04 2f18 s SER 522 CO 0.24 -0.75 1.48 1.88 0.41 0.00 0.00 173.24 176.51 2f18 h TYR 523 N 8.40 0.04 -4.01 2.43 0.05 -1.94 -3.42 116.97 118.51 2f18 h TYR 523 Ca -0.10 -0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.47 2f18 h TYR 523 Cb 1.07 -0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.61 2f18 h TYR 523 CO 0.89 0.78 -0.70 -0.06 -1.05 0.00 0.00 178.16 178.01 2f18 s PHE 524 N -3.29 0.40 -0.01 4.88 0.40 -1.26 -0.62 117.98 118.48 2f18 s PHE 524 Ca -0.01 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.75 2f18 s PHE 524 Cb 0.12 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 2f18 s PHE 524 CO 0.79 -0.20 -0.12 0.95 0.70 0.00 0.00 175.22 177.34 2f18 s THR 525 N -1.88 3.22 0.36 0.64 -4.23 -0.52 -4.87 115.64 108.36 2f18 s THR 525 Ca -0.11 -0.86 -0.26 0.00 -1.18 0.00 0.00 61.69 59.29 2f18 s THR 525 Cb -0.07 -2.34 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 2f18 s THR 525 CO -0.02 0.45 1.05 -0.76 -0.54 0.00 0.00 174.62 174.79 2f18 s LEU 526 N -1.18 4.27 -0.18 4.79 1.43 -1.26 -0.72 118.68 125.83 2f18 s LEU 526 Ca 0.14 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2f18 s LEU 526 Cb -0.11 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.11 2f18 s LEU 526 CO 0.04 -0.35 -0.18 -0.62 0.23 0.00 0.00 176.35 175.48 2f18 s ASP 527 N -1.40 3.33 -0.17 2.29 2.15 -0.10 -4.89 116.67 117.88 2f18 s ASP 527 Ca 0.53 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2f18 s ASP 527 Cb -0.24 -1.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.89 2f18 s ASP 527 CO 0.30 0.01 -0.10 -0.62 -0.17 0.00 0.00 175.17 174.59 2f18 s ASP 528 N 1.26 2.96 0.14 -0.34 -1.08 -1.26 -4.17 116.67 114.18 2f18 s ASP 528 Ca 0.04 -0.67 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 2f18 s ASP 528 Cb -0.13 -1.12 0.93 0.00 -1.46 0.00 0.00 42.92 41.13 2f18 s ASP 528 CO -0.10 -0.12 1.75 -1.20 0.52 0.00 0.00 175.17 176.02 2f18 n SER 529 N 4.77 0.46 0.00 -0.34 7.64 -1.26 -4.01 113.62 120.88 2f18 n SER 529 Ca -0.15 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2f18 n SER 529 Cb 0.48 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2f18 n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f18 n ARG 530 N -1.96 1.82 -3.69 1.43 1.74 -1.26 -4.50 116.66 110.24 2f18 n ARG 530 Ca 0.05 -1.11 -0.10 0.00 -0.77 0.00 0.00 57.85 55.91 2f18 n ARG 530 Cb 0.32 -0.84 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2f18 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2f18 s TRP 531 N -0.62 -0.62 -0.08 -1.55 -0.11 -1.26 -4.13 118.94 110.56 2f18 s TRP 531 Ca 0.00 1.30 0.30 0.00 1.22 0.00 0.00 56.10 58.92 2f18 s TRP 531 Cb 0.00 0.25 1.30 0.00 -1.50 0.00 0.00 33.47 33.51 2f18 s TRP 531 CO 0.00 -0.37 1.90 -1.35 -4.62 0.00 0.00 176.95 172.51 2f18 h PRO 532 N 7.43 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 140.09 2f18 h PRO 532 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2f18 h PRO 532 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2f18 h PRO 532 CO 0.25 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 2f18 n GLY 533 N -0.11 2.69 3.71 -0.55 0.00 -1.26 -4.27 105.19 105.40 2f18 n GLY 533 Ca 0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2f18 n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f18 s SER 534 N 0.00 6.61 0.00 1.61 0.15 -1.26 -0.85 113.70 119.96 2f18 s SER 534 Ca 0.00 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.22 2f18 s SER 534 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2f18 s SER 534 CO 0.00 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2f18 n GLY 535 N 3.77 1.51 0.27 9.45 0.00 -1.26 -4.85 105.19 114.08 2f18 n GLY 535 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2f18 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f18 n VAL 536 N -2.00 1.33 -3.75 1.61 0.31 -0.03 -4.99 118.33 110.80 2f18 n VAL 536 Ca 0.00 -0.21 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 2f18 n VAL 536 Cb 0.00 -1.92 -0.13 0.00 -0.91 0.00 0.00 33.84 30.88 2f18 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2f18 s GLU 537 N -2.51 0.18 -0.96 5.55 2.12 -0.91 -5.00 118.70 117.17 2f18 s GLU 537 Ca -0.31 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 55.25 2f18 s GLU 537 Cb 0.10 -0.09 0.10 0.00 0.26 0.00 0.00 34.13 34.51 2f18 s GLU 537 CO 0.40 -0.13 1.24 0.34 -0.54 0.00 0.00 175.26 176.57 2f18 s ASP 538 N 0.98 6.58 0.00 -1.70 -1.08 -1.26 -4.61 116.67 115.58 2f18 s ASP 538 Ca -0.07 -1.82 0.00 0.00 -0.52 0.00 0.00 52.55 50.14 2f18 s ASP 538 Cb -0.09 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2f18 s ASP 538 CO -0.06 -1.23 0.08 -1.54 0.52 0.00 0.00 175.17 172.94 2f18 n SER 539 N 7.41 0.16 -4.77 -0.34 3.41 -1.26 -5.05 113.62 113.18 2f18 n SER 539 Ca 0.27 -0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 57.99 2f18 n SER 539 Cb 0.50 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 2f18 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2f18 s ARG 540 N -0.56 4.22 0.10 4.33 0.52 -1.26 -5.02 118.95 121.28 2f18 s ARG 540 Ca 0.00 1.74 -0.15 0.00 -0.52 0.00 0.00 55.73 56.80 2f18 s ARG 540 Cb 0.00 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.65 2f18 s ARG 540 CO 0.00 -0.15 0.52 0.95 0.02 0.00 0.00 175.30 176.64 2f18 s THR 541 N -1.42 4.87 -0.00 0.02 -4.23 -1.26 -5.05 115.64 108.56 2f18 s THR 541 Ca 0.54 0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 61.76 2f18 s THR 541 Cb -0.29 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 2f18 s THR 541 CO 0.36 0.39 0.59 -0.89 -0.54 0.00 0.00 174.62 174.52 2f18 s THR 542 N -1.30 4.91 -0.34 3.99 2.01 -1.26 -4.50 115.64 119.15 2f18 s THR 542 Ca 0.33 1.22 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 2f18 s THR 542 Cb -0.16 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2f18 s THR 542 CO 0.18 0.42 1.11 -0.63 -0.69 0.00 0.00 174.62 175.01 2f18 s ILE 543 N -0.22 4.43 -0.37 1.82 1.01 0.39 -4.93 121.20 123.32 2f18 s ILE 543 Ca 0.31 1.62 -0.16 0.00 0.00 0.00 0.00 60.65 62.42 2f18 s ILE 543 Cb -0.18 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2f18 s ILE 543 CO 0.17 -0.56 0.39 -0.63 0.00 0.00 0.00 174.94 174.31 2f18 s ILE 544 N 3.84 5.14 0.18 2.92 1.01 -1.26 -1.50 121.20 131.53 2f18 s ILE 544 Ca 0.47 -0.10 0.11 0.00 0.00 0.00 0.00 60.65 61.13 2f18 s ILE 544 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2f18 s ILE 544 CO 0.18 -0.21 -0.23 -0.76 0.00 0.00 0.00 174.94 173.92 2f18 s LEU 545 N 2.06 2.42 0.00 2.97 1.43 -1.26 -4.73 118.68 121.57 2f18 s LEU 545 Ca 0.12 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2f18 s LEU 545 Cb -0.17 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.94 2f18 s LEU 545 CO 0.12 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.41 2f18 n GLY 546 N 0.35 1.52 0.27 -3.19 0.00 0.04 -4.81 105.19 99.37 2f18 n GLY 546 Ca -0.13 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.64 2f18 n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2f18 h GLU 547 N 0.00 0.04 -0.63 1.61 4.81 -1.97 0.14 114.58 118.59 2f18 h GLU 547 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2f18 h GLU 547 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2f18 h GLU 547 CO 0.00 0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.06 2f18 n ASP 548 N -4.53 5.16 0.00 1.04 8.00 -1.26 -4.63 116.55 120.33 2f18 n ASP 548 Ca -0.02 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.79 2f18 n ASP 548 Cb 0.11 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2f18 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f18 n ILE 549 N 0.82 0.00 -3.41 0.53 3.06 -0.23 -5.13 119.36 115.00 2f18 n ILE 549 Ca 0.26 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.53 2f18 n ILE 549 Cb 1.03 -0.30 -0.04 0.00 0.54 0.00 0.00 39.64 40.88 2f18 n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2f18 s LEU 550 N -4.57 -0.71 0.22 9.51 2.96 0.33 -4.93 118.68 121.49 2f18 s LEU 550 Ca 0.00 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 54.89 2f18 s LEU 550 Cb 0.00 1.77 0.16 0.00 0.50 0.00 0.00 46.19 48.62 2f18 s LEU 550 CO 0.00 -0.14 1.49 -0.65 -1.32 0.00 0.00 176.35 175.74 2f18 h PRO 551 N 7.66 0.00 -3.48 0.98 0.11 -1.91 0.14 132.00 135.51 2f18 h PRO 551 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 2f18 h PRO 551 Cb 1.12 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 2f18 h PRO 551 CO 0.08 0.74 -0.05 -1.54 -0.21 0.00 0.00 178.00 177.02 2f18 s SER 552 N -6.77 -0.16 -0.11 -2.05 1.04 -1.26 -1.48 113.70 102.92 2f18 s SER 552 Ca -0.00 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 55.63 2f18 s SER 552 Cb 0.11 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.85 2f18 s SER 552 CO 0.78 -1.10 0.27 -0.75 0.98 0.00 0.00 173.24 173.42 2f18 s LYS 553 N -3.95 0.27 0.10 4.02 2.47 -0.03 -4.97 119.74 117.65 2f18 s LYS 553 Ca 0.16 0.47 -0.21 0.00 -1.56 0.00 0.00 55.97 54.83 2f18 s LYS 553 Cb -0.01 0.02 -0.07 0.00 -1.46 0.00 0.00 37.83 36.31 2f18 s LYS 553 CO 0.03 -0.10 0.63 -1.01 0.16 0.00 0.00 175.35 175.07 2f18 s HIS 554 N 0.73 3.83 0.07 4.03 3.76 -1.26 -0.78 115.29 125.67 2f18 s HIS 554 Ca -0.05 1.38 0.06 0.00 -0.15 0.00 0.00 55.06 56.30 2f18 s HIS 554 Cb -0.06 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 2f18 s HIS 554 CO -0.05 0.55 -0.16 0.14 -0.85 0.00 0.00 174.74 174.37 2f18 s VAL 555 N -1.05 1.30 -0.03 -0.90 -7.23 -0.23 -1.75 120.40 110.52 2f18 s VAL 555 Ca 0.31 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2f18 s VAL 555 Cb -0.21 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2f18 s VAL 555 CO 0.21 -0.11 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.10 2f18 s VAL 556 N -1.12 0.85 -0.08 1.32 1.01 -0.32 -0.69 120.40 121.37 2f18 s VAL 556 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2f18 s VAL 556 Cb -0.09 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2f18 s VAL 556 CO 0.02 0.26 -0.04 -0.04 0.00 0.00 0.00 175.10 175.30 2f18 s MET 557 N 0.13 2.86 -0.03 2.72 -1.94 -0.10 -0.35 119.30 122.58 2f18 s MET 557 Ca -0.02 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 2f18 s MET 557 Cb -0.08 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 2f18 s MET 557 CO 0.01 0.66 -0.14 -1.58 -0.01 0.00 0.00 175.02 173.96 2f18 s HIS 558 N -0.80 2.70 -0.30 -0.03 5.04 -0.12 -1.15 115.29 120.63 2f18 s HIS 558 Ca 0.12 -0.16 0.03 0.00 -1.54 0.00 0.00 55.06 53.51 2f18 s HIS 558 Cb -0.11 -1.60 0.09 0.00 0.04 0.00 0.00 32.58 31.00 2f18 s HIS 558 CO 0.02 0.22 0.01 1.21 -2.34 0.00 0.00 174.74 173.86 2f18 s ASN 559 N -0.94 4.47 0.30 9.88 2.47 -0.21 -1.17 114.94 129.74 2f18 s ASN 559 Ca 0.13 -1.78 0.26 0.00 0.42 0.00 0.00 52.86 51.88 2f18 s ASN 559 Cb -0.11 -1.45 0.91 0.00 -1.45 0.00 0.00 41.25 39.16 2f18 s ASN 559 CO 0.02 -0.32 1.76 0.00 -3.72 0.00 0.00 177.10 174.84 2f18 h THR 560 N 6.64 0.00 -4.03 -5.21 1.03 -1.86 -1.78 112.91 107.70 2f18 h THR 560 Ca -0.11 -0.42 -0.45 0.00 -0.01 0.00 0.00 66.41 65.42 2f18 h THR 560 Cb 1.03 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 69.41 2f18 h THR 560 CO 0.48 0.00 0.35 -0.76 -0.01 0.00 0.00 175.52 175.59 2f18 s LEU 561 N -4.87 4.00 -0.12 0.00 1.43 -1.26 -4.51 118.68 113.35 2f18 s LEU 561 Ca 0.06 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2f18 s LEU 561 Cb 0.10 -4.44 0.09 0.00 0.03 0.00 0.00 46.19 41.96 2f18 s LEU 561 CO 0.51 -0.38 1.93 -0.81 0.23 0.00 0.00 176.35 177.82 2f18 n PRO 562 N -0.47 1.31 -3.82 1.29 -0.04 -1.26 -1.33 135.00 130.67 2f18 n PRO 562 Ca 0.06 -0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 62.81 2f18 n PRO 562 Cb 0.53 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.67 2f18 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2f18 s HIS 563 N -0.70 -0.02 0.39 0.54 -3.43 -1.26 -0.43 115.29 110.38 2f18 s HIS 563 Ca 0.12 -0.12 -0.27 0.00 -0.80 0.00 0.00 55.06 54.00 2f18 s HIS 563 Cb 0.09 0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.15 2f18 s HIS 563 CO 0.00 -0.42 1.32 0.91 -2.00 0.00 0.00 174.74 174.55 2f18 n TRP 564 N 0.88 2.33 -4.03 0.38 7.02 -1.26 -3.99 117.44 118.77 2f18 n TRP 564 Ca -0.20 0.51 -0.15 0.00 -1.02 0.00 0.00 57.50 56.64 2f18 n TRP 564 Cb 0.58 -2.41 -0.15 0.00 -2.42 0.00 0.00 31.31 26.91 2f18 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2f18 s ARG 565 N -2.10 0.28 0.02 -0.99 3.52 -0.74 -4.95 118.95 113.99 2f18 s ARG 565 Ca 0.58 -0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 2f18 s ARG 565 Cb -0.52 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 2f18 s ARG 565 CO 0.60 0.03 -0.03 -1.21 -0.81 0.00 0.00 175.30 173.87 2f18 s GLU 566 N 0.17 2.61 -0.27 5.12 2.02 -1.26 -0.80 118.70 126.29 2f18 s GLU 566 Ca -0.01 -0.72 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 2f18 s GLU 566 Cb -0.04 -2.56 0.10 0.00 0.10 0.00 0.00 34.13 31.74 2f18 s GLU 566 CO -0.00 0.60 0.92 -1.14 0.02 0.00 0.00 175.26 175.65 2f18 s GLN 567 N -1.65 0.63 0.30 1.61 0.74 -0.72 -4.97 119.66 115.60 2f18 s GLN 567 Ca 0.20 0.72 -0.29 0.00 0.05 0.00 0.00 55.36 56.04 2f18 s GLN 567 Cb -0.11 0.31 -0.10 0.00 1.10 0.00 0.00 33.01 34.21 2f18 s GLN 567 CO 0.10 -0.08 1.20 -0.51 -0.55 0.00 0.00 175.29 175.45 2f18 s LEU 568 N 0.23 4.49 0.12 3.68 1.43 -1.26 -1.03 118.68 126.34 2f18 s LEU 568 Ca 0.02 2.46 0.07 0.00 -1.03 0.00 0.00 54.13 55.64 2f18 s LEU 568 Cb -0.05 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2f18 s LEU 568 CO -0.03 -0.33 -0.16 0.68 0.23 0.00 0.00 176.35 176.74 2f18 s VAL 569 N -1.11 1.49 0.05 -1.59 -7.23 0.13 -4.91 120.40 107.23 2f18 s VAL 569 Ca 0.47 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2f18 s VAL 569 Cb -0.35 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 2f18 s VAL 569 CO 0.46 -0.30 -0.09 1.51 -0.31 0.00 0.00 175.10 176.38 2f18 s ASP 570 N -2.30 0.97 0.06 4.85 -4.77 -1.26 -1.61 116.67 112.60 2f18 s ASP 570 Ca 0.09 -0.55 0.02 0.00 -3.30 0.00 0.00 52.55 48.80 2f18 s ASP 570 Cb -0.07 0.02 -0.03 0.00 -1.09 0.00 0.00 42.92 41.75 2f18 s ASP 570 CO 0.04 -0.18 -0.07 -0.36 0.70 0.00 0.00 175.17 175.30 2f18 s PHE 571 N -1.34 0.72 0.02 2.11 0.40 -0.43 -4.91 117.98 114.54 2f18 s PHE 571 Ca -0.09 -0.64 -0.22 0.00 -0.60 0.00 0.00 56.93 55.38 2f18 s PHE 571 Cb -0.10 -0.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.95 2f18 s PHE 571 CO 0.01 -0.12 0.65 0.71 0.70 0.00 0.00 175.22 177.17 2f18 s TYR 572 N -2.12 3.72 0.09 0.36 2.02 -1.26 -0.85 117.35 119.30 2f18 s TYR 572 Ca -0.03 1.30 0.03 0.00 -0.37 0.00 0.00 57.07 58.00 2f18 s TYR 572 Cb -0.05 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2f18 s TYR 572 CO -0.01 0.36 -0.09 0.14 -1.57 0.00 0.00 175.55 174.38 2f18 s VAL 573 N -0.27 0.80 -2.20 0.71 -7.23 0.20 -0.46 120.40 111.94 2f18 s VAL 573 Ca 0.33 -1.64 0.21 0.00 -1.81 0.00 0.00 61.98 59.07 2f18 s VAL 573 Cb -0.19 -1.34 0.50 0.00 0.56 0.00 0.00 36.38 35.91 2f18 s VAL 573 CO 0.19 -0.63 1.63 -1.54 -0.31 0.00 0.00 175.10 174.45 2f18 n SER 574 N 0.52 1.12 -3.81 4.85 3.41 -0.56 -0.81 113.62 118.34 2f18 n SER 574 Ca -0.16 -1.59 -0.12 0.00 -0.26 0.00 0.00 58.87 56.74 2f18 n SER 574 Cb 0.58 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 2f18 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2f18 s SER 575 N -1.62 -0.13 0.00 4.04 0.15 -1.26 -4.72 113.70 110.16 2f18 s SER 575 Ca 0.32 0.08 0.29 0.00 0.70 0.00 0.00 55.95 57.34 2f18 s SER 575 Cb 0.16 0.33 1.17 0.00 -1.71 0.00 0.00 66.02 65.97 2f18 s SER 575 CO 0.26 -0.34 1.87 -0.81 1.20 0.00 0.00 173.24 175.42 2f18 n PRO 576 N 1.72 0.13 -3.14 5.44 -0.04 -1.26 -4.41 135.00 133.44 2f18 n PRO 576 Ca -0.20 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 2f18 n PRO 576 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2f18 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2f18 n PHE 577 N -1.42 3.36 -4.70 0.54 3.72 -1.26 -4.94 117.46 112.76 2f18 n PHE 577 Ca 0.09 -3.09 -0.23 0.00 -0.05 0.00 0.00 57.45 54.16 2f18 n PHE 577 Cb 0.32 -1.40 -0.15 0.00 -0.94 0.00 0.00 39.48 37.30 2f18 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2f18 s VAL 578 N -2.25 1.19 0.19 -4.37 1.01 -1.26 -0.73 120.40 114.17 2f18 s VAL 578 Ca 0.31 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2f18 s VAL 578 Cb -0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2f18 s VAL 578 CO 0.04 0.34 -0.15 -0.94 0.00 0.00 0.00 175.10 174.39 2f18 s SER 579 N -0.34 2.49 -0.01 3.32 1.04 -0.30 -4.79 113.70 115.11 2f18 s SER 579 Ca 0.05 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.57 2f18 s SER 579 Cb -0.06 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2f18 s SER 579 CO -0.01 -0.16 -0.18 -0.69 0.98 0.00 0.00 173.24 173.19 2f18 s VAL 580 N -2.78 2.73 0.08 5.02 1.01 -1.26 -1.12 120.40 124.09 2f18 s VAL 580 Ca 0.20 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2f18 s VAL 580 Cb -0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2f18 s VAL 580 CO 0.06 0.50 -0.07 0.42 0.00 0.00 0.00 175.10 176.01 2f18 s THR 581 N -0.77 0.65 0.64 3.92 -4.23 -0.62 -0.77 115.64 114.47 2f18 s THR 581 Ca 0.12 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 2f18 s THR 581 Cb -0.10 -1.40 0.13 0.00 1.34 0.00 0.00 72.50 72.47 2f18 s THR 581 CO 0.02 -0.74 0.88 -0.90 -0.54 0.00 0.00 174.62 173.33 2f18 n ASP 582 N 0.36 0.83 -0.02 3.99 5.68 -0.66 -1.02 116.55 125.71 2f18 n ASP 582 Ca -0.15 -1.78 0.15 0.00 -0.50 0.00 0.00 54.79 52.51 2f18 n ASP 582 Cb 0.59 -0.60 0.88 0.00 -1.14 0.00 0.00 41.12 40.85 2f18 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2f18 n LEU 583 N 0.00 0.07 -1.07 -2.12 7.94 -1.20 -1.24 117.00 119.38 2f18 n LEU 583 Ca 0.13 -0.03 0.08 0.00 -1.11 0.00 0.00 56.01 55.09 2f18 n LEU 583 Cb 0.47 -0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.67 2f18 n LEU 583 CO 0.33 0.01 0.70 0.00 -1.11 0.00 0.00 177.39 177.32 2f18 n ALA 584 N -0.92 2.61 -1.16 1.96 0.00 -1.26 -4.91 120.51 116.82 2f18 n ALA 584 Ca 0.23 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 2f18 n ALA 584 Cb 0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2f18 n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2f18 n ASN 585 N 0.95 -4.22 -4.72 0.00 5.15 -0.38 -4.99 115.26 107.06 2f18 n ASN 585 Ca 0.18 0.14 -0.42 0.00 -0.60 0.00 0.00 54.58 53.88 2f18 n ASN 585 Cb 0.53 -2.21 -0.03 0.00 -0.53 0.00 0.00 39.78 37.54 2f18 n ASN 585 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2f18 s ASN 586 N -2.53 7.25 0.53 1.20 0.01 -1.26 -4.80 114.94 115.33 2f18 s ASN 586 Ca 0.00 1.89 -0.21 0.00 -0.71 0.00 0.00 52.86 53.83 2f18 s ASN 586 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 2f18 s ASN 586 CO 0.00 -0.31 1.24 -2.16 -1.51 0.00 0.00 177.10 174.36 2f18 s PRO 587 N 0.66 3.31 -0.07 -0.60 0.04 -1.26 -1.65 135.00 135.42 2f18 s PRO 587 Ca 0.54 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.54 2f18 s PRO 587 Cb -0.26 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2f18 s PRO 587 CO 0.30 -0.96 -0.18 0.08 0.04 0.00 0.00 177.00 176.28 2f18 s VAL 588 N -1.49 1.53 0.30 -0.36 1.01 0.05 -4.86 120.40 116.58 2f18 s VAL 588 Ca 0.71 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 2f18 s VAL 588 Cb -0.33 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 2f18 s VAL 588 CO 0.38 0.44 1.47 -0.70 0.00 0.00 0.00 175.10 176.69 2f18 s GLU 589 N 0.37 4.21 0.09 2.72 2.12 -1.26 -4.26 118.70 122.70 2f18 s GLU 589 Ca -0.13 2.41 -0.01 0.00 0.36 0.00 0.00 54.97 57.61 2f18 s GLU 589 Cb -0.15 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2f18 s GLU 589 CO 0.05 -0.46 0.01 0.00 -0.54 0.00 0.00 175.26 174.31 2f18 s ALA 590 N -0.40 0.72 -0.02 6.30 0.00 -0.18 -4.28 121.76 123.90 2f18 s ALA 590 Ca 0.57 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2f18 s ALA 590 Cb -0.44 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2f18 s ALA 590 CO 0.50 -0.41 -0.12 -1.14 0.00 0.00 0.00 175.76 174.59 2f18 s GLN 591 N -3.97 1.12 -0.08 0.00 0.74 -0.01 -1.26 119.66 116.21 2f18 s GLN 591 Ca 0.15 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.18 2f18 s GLN 591 Cb 0.08 -1.04 -0.02 0.00 1.10 0.00 0.00 33.01 33.12 2f18 s GLN 591 CO -0.04 0.19 -0.13 0.08 -0.55 0.00 0.00 175.29 174.84 2f18 s VAL 592 N -0.00 3.18 0.17 1.34 1.01 0.07 -0.44 120.40 125.73 2f18 s VAL 592 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2f18 s VAL 592 Cb -0.08 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2f18 s VAL 592 CO 0.00 0.57 -0.02 -0.44 0.00 0.00 0.00 175.10 175.22 2f18 s SER 593 N -0.43 1.38 0.91 3.32 0.01 -0.25 -1.75 113.70 116.90 2f18 s SER 593 Ca 0.05 -1.15 -0.12 0.00 1.31 0.00 0.00 55.95 56.04 2f18 s SER 593 Cb -0.12 0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.33 2f18 s SER 593 CO 0.02 -0.52 1.13 -2.84 0.41 0.00 0.00 173.24 171.43 2f18 s PRO 594 N -3.88 1.15 -0.37 12.44 0.02 -1.26 -0.70 135.00 142.39 2f18 s PRO 594 Ca 0.23 0.36 -0.12 0.00 0.02 0.00 0.00 61.00 61.48 2f18 s PRO 594 Cb 0.06 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.75 2f18 s PRO 594 CO 0.04 -2.21 0.23 0.08 -0.33 0.00 0.00 177.00 174.81 2f18 s VAL 595 N -3.22 4.94 -0.17 3.83 1.01 -1.26 -4.42 120.40 121.11 2f18 s VAL 595 Ca 0.64 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 2f18 s VAL 595 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2f18 s VAL 595 CO 0.54 -0.17 0.06 0.26 0.00 0.00 0.00 175.10 175.79 2f18 s TRP 596 N 1.64 3.25 0.08 5.22 0.52 -1.26 -1.06 118.94 127.33 2f18 s TRP 596 Ca 0.04 0.09 0.08 0.00 0.02 0.00 0.00 56.10 56.33 2f18 s TRP 596 Cb -0.18 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.07 2f18 s TRP 596 CO 0.08 0.21 -0.20 -1.12 0.02 0.00 0.00 176.95 175.95 2f18 s SER 597 N 0.15 2.43 -0.12 2.95 0.01 -0.29 -4.95 113.70 113.88 2f18 s SER 597 Ca 0.04 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 2f18 s SER 597 Cb -0.12 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2f18 s SER 597 CO 0.01 0.07 0.06 0.26 0.41 0.00 0.00 173.24 174.05 2f18 s TRP 598 N -1.07 3.34 -0.01 2.43 0.52 -1.26 -0.02 118.94 122.87 2f18 s TRP 598 Ca 0.06 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.50 2f18 s TRP 598 Cb -0.10 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2f18 s TRP 598 CO 0.03 0.50 -0.11 -1.01 0.02 0.00 0.00 176.95 176.38 2f18 s HIS 599 N -0.67 1.01 -0.53 -1.98 3.76 -0.12 -4.95 115.29 111.81 2f18 s HIS 599 Ca 0.12 -0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 54.62 2f18 s HIS 599 Cb -0.12 -0.65 0.05 0.00 1.11 0.00 0.00 32.58 32.98 2f18 s HIS 599 CO 0.02 -0.02 0.76 -1.58 -0.85 0.00 0.00 174.74 173.08 2f18 s HIS 600 N -0.28 2.94 -0.47 1.40 2.46 -1.26 -1.61 115.29 118.47 2f18 s HIS 600 Ca 0.04 -0.37 -0.29 0.00 0.47 0.00 0.00 55.06 54.92 2f18 s HIS 600 Cb -0.04 -3.79 0.01 0.00 -0.13 0.00 0.00 32.58 28.63 2f18 s HIS 600 CO -0.00 -1.19 1.37 0.34 -2.47 0.00 0.00 174.74 172.79 2f18 s ASP 601 N 2.84 6.31 0.42 9.88 -1.08 0.56 -4.88 116.67 130.72 2f18 s ASP 601 Ca 0.21 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 53.08 2f18 s ASP 601 Cb -0.17 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.55 2f18 s ASP 601 CO 0.14 -1.49 1.77 0.71 0.52 0.00 0.00 175.17 176.82 2f18 h THR 602 N 6.41 0.57 0.13 1.71 1.35 -1.94 0.25 112.91 121.39 2f18 h THR 602 Ca -0.27 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 2f18 h THR 602 Cb 1.09 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2f18 h THR 602 CO 1.12 0.25 -0.06 -0.07 -0.25 0.00 0.00 175.52 176.50 2f18 h LEU 603 N 0.00 -0.14 -0.08 3.87 -0.00 -1.95 -3.28 115.31 113.72 2f18 h LEU 603 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2f18 h LEU 603 Cb 0.83 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2f18 h LEU 603 CO 0.03 0.26 -0.49 0.35 -0.00 0.00 0.00 178.44 178.59 2f18 n THR 604 N -4.98 0.00 -3.55 0.22 -2.24 -1.22 -4.96 114.28 97.55 2f18 n THR 604 Ca -0.09 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 2f18 n THR 604 Cb 0.24 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 2f18 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f18 n LYS 605 N -1.37 -7.10 -4.14 -0.78 4.76 0.85 -5.01 118.16 105.37 2f18 n LYS 605 Ca 0.06 0.82 -0.10 0.00 -2.87 0.00 0.00 58.31 56.22 2f18 n LYS 605 Cb 0.34 -5.82 -0.10 0.00 -1.84 0.00 0.00 35.03 27.60 2f18 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2f18 s THR 606 N -3.36 0.56 -0.27 -0.18 -4.23 -1.09 -4.98 115.64 102.09 2f18 s THR 606 Ca 0.30 -1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2f18 s THR 606 Cb -0.13 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 2f18 s THR 606 CO 0.74 -0.84 0.06 -0.63 -0.54 0.00 0.00 174.62 173.41 2f18 s ILE 607 N -3.40 4.06 0.13 2.99 1.01 -1.26 -0.32 121.20 124.41 2f18 s ILE 607 Ca 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2f18 s ILE 607 Cb 0.04 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 2f18 s ILE 607 CO -0.05 0.23 0.23 -1.38 0.00 0.00 0.00 174.94 173.97 2f18 s HIS 608 N 1.55 0.29 0.13 3.97 -3.43 -0.64 -4.35 115.29 112.81 2f18 s HIS 608 Ca 0.05 -0.68 -0.12 0.00 -0.80 0.00 0.00 55.06 53.51 2f18 s HIS 608 Cb -0.16 -0.07 -0.06 0.00 -1.43 0.00 0.00 32.58 30.86 2f18 s HIS 608 CO 0.02 -0.63 0.48 -1.25 -2.00 0.00 0.00 174.74 171.36 2f18 s PRO 609 N -3.92 3.86 -0.04 -0.38 0.04 -1.26 -0.94 135.00 132.36 2f18 s PRO 609 Ca 0.11 0.31 0.06 0.00 0.04 0.00 0.00 61.00 61.53 2f18 s PRO 609 Cb 0.04 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.64 2f18 s PRO 609 CO -0.05 0.50 -0.23 -0.65 0.04 0.00 0.00 177.00 176.60 2f18 s GLN 610 N -2.04 2.14 0.02 4.56 -1.52 0.97 -4.95 119.66 118.84 2f18 s GLN 610 Ca 0.37 -0.83 -0.00 0.00 -1.95 0.00 0.00 55.36 52.94 2f18 s GLN 610 Cb -0.14 -1.92 -0.04 0.00 -0.22 0.00 0.00 33.01 30.69 2f18 s GLN 610 CO 0.19 0.42 0.13 0.20 -0.25 0.00 0.00 175.29 175.98 2f18 s GLY 611 N -0.31 2.10 0.41 3.09 0.00 -1.26 -1.13 107.32 110.21 2f18 s GLY 611 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 2f18 s GLY 611 CO 0.01 -0.79 1.07 -0.45 0.00 0.00 0.00 173.10 172.95 2f18 s SER 612 N -2.08 6.64 0.00 1.64 0.15 -0.22 -4.89 113.70 114.94 2f18 s SER 612 Ca 0.28 2.10 0.14 0.00 0.70 0.00 0.00 55.95 59.17 2f18 s SER 612 Cb -0.12 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 61.85 2f18 s SER 612 CO 0.20 -0.58 1.14 0.35 1.20 0.00 0.00 173.24 175.55 2f18 n THR 613 N -0.15 0.49 0.00 6.45 -2.24 -1.26 -4.51 114.28 113.06 2f18 n THR 613 Ca 0.05 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2f18 n THR 613 Cb 0.49 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2f18 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2f18 n THR 614 N 0.81 0.00 -4.04 4.28 -2.24 -1.26 -4.28 114.28 107.55 2f18 n THR 614 Ca 0.12 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2f18 n THR 614 Cb 0.42 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2f18 n THR 614 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2f18 s LYS 615 N -0.68 0.46 0.05 -0.78 -2.85 -1.26 -4.50 119.74 110.18 2f18 s LYS 615 Ca 0.00 -0.86 -0.01 0.00 -1.00 0.00 0.00 55.97 54.10 2f18 s LYS 615 Cb 0.00 0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.79 2f18 s LYS 615 CO 0.00 -0.05 -0.03 0.71 0.10 0.00 0.00 175.35 176.08 2f18 s TYR 616 N -2.32 0.54 -0.20 1.78 2.02 0.01 -4.09 117.35 115.08 2f18 s TYR 616 Ca -0.07 -1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 55.47 2f18 s TYR 616 Cb -0.04 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.08 2f18 s TYR 616 CO -0.04 -0.38 0.12 1.03 -1.57 0.00 0.00 175.55 174.71 2f18 s ARG 617 N -3.92 4.09 -0.10 -0.62 0.52 0.12 -0.63 118.95 118.41 2f18 s ARG 617 Ca 0.08 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2f18 s ARG 617 Cb 0.08 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2f18 s ARG 617 CO -0.10 0.23 -0.05 -1.50 0.02 0.00 0.00 175.30 173.91 2f18 s ILE 618 N 0.53 3.86 -0.03 1.52 2.07 -0.03 -1.09 121.20 128.04 2f18 s ILE 618 Ca 0.06 -0.40 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2f18 s ILE 618 Cb -0.12 -2.63 -0.00 0.00 0.13 0.00 0.00 42.46 39.84 2f18 s ILE 618 CO 0.00 0.56 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.84 2f18 s ILE 619 N -0.38 1.02 0.19 2.00 1.01 0.42 -1.32 121.20 124.13 2f18 s ILE 619 Ca 0.06 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 2f18 s ILE 619 Cb -0.12 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.52 2f18 s ILE 619 CO 0.02 0.30 0.60 0.72 0.00 0.00 0.00 174.94 176.59 2f18 s PHE 620 N -0.00 -0.40 -0.22 3.97 -0.71 -0.64 -0.83 117.98 119.15 2f18 s PHE 620 Ca -0.01 0.12 -0.24 0.00 -1.04 0.00 0.00 56.93 55.77 2f18 s PHE 620 Cb -0.08 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 2f18 s PHE 620 CO 0.01 -0.92 0.77 0.21 -1.34 0.00 0.00 175.22 173.94 2f18 s LYS 621 N -3.80 4.21 -0.15 1.99 2.20 -1.26 -0.69 119.74 122.24 2f18 s LYS 621 Ca 0.04 0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 56.40 2f18 s LYS 621 Cb -0.02 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2f18 s LYS 621 CO -0.08 -0.40 0.20 0.00 -0.36 0.00 0.00 175.35 174.71 2f18 s ALA 622 N 2.44 3.70 -0.24 3.13 0.00 -0.20 -4.90 121.76 125.69 2f18 s ALA 622 Ca 0.34 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 2f18 s ALA 622 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2f18 s ALA 622 CO 0.09 0.27 -0.02 0.50 0.00 0.00 0.00 175.76 176.60 2f18 s ARG 623 N -0.04 3.20 -0.04 0.00 3.52 -1.26 -1.76 118.95 122.57 2f18 s ARG 623 Ca 0.13 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2f18 s ARG 623 Cb -0.12 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2f18 s ARG 623 CO 0.02 -0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.13 2f18 s VAL 624 N 1.45 1.39 0.94 7.11 1.01 0.02 -4.78 120.40 127.55 2f18 s VAL 624 Ca 0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2f18 s VAL 624 Cb -0.15 -1.20 0.16 0.00 0.00 0.00 0.00 36.38 35.19 2f18 s VAL 624 CO -0.02 0.40 1.10 -2.84 0.00 0.00 0.00 175.10 173.73 2f18 s PRO 625 N 0.03 0.83 0.21 2.72 0.02 -1.26 -1.79 135.00 135.76 2f18 s PRO 625 Ca -0.03 1.11 -0.32 0.00 0.02 0.00 0.00 61.00 61.78 2f18 s PRO 625 Cb -0.11 -1.74 -0.12 0.00 0.02 0.00 0.00 34.50 32.55 2f18 s PRO 625 CO 0.02 -2.62 1.66 -2.30 -0.33 0.00 0.00 177.00 173.43 2f18 n PRO 626 N -4.18 2.62 -4.20 5.54 -0.02 -1.26 -1.83 135.00 131.67 2f18 n PRO 626 Ca 0.08 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 62.15 2f18 n PRO 626 Cb 0.54 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 2f18 n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2f18 n MET 627 N 3.49 -3.00 -1.65 -0.52 2.81 -0.44 -4.74 117.12 113.08 2f18 n MET 627 Ca 0.15 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 2f18 n MET 627 Cb 0.34 -4.95 0.00 0.00 -0.71 0.00 0.00 33.22 27.90 2f18 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f18 n GLY 628 N -1.51 4.38 3.05 3.03 0.00 -0.76 -4.81 105.19 108.56 2f18 n GLY 628 Ca 0.01 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 2f18 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f18 s LEU 629 N 0.00 2.17 -0.01 0.99 1.43 -0.24 -1.04 118.68 121.98 2f18 s LEU 629 Ca 0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2f18 s LEU 629 Cb 0.00 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.95 2f18 s LEU 629 CO 0.00 -0.08 -0.02 0.00 0.23 0.00 0.00 176.35 176.48 2f18 s ALA 630 N -0.92 0.22 -0.11 4.21 0.00 -0.30 -1.26 121.76 123.60 2f18 s ALA 630 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 2f18 s ALA 630 Cb -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2f18 s ALA 630 CO 0.00 0.01 0.02 0.99 0.00 0.00 0.00 175.76 176.79 2f18 s THR 631 N 0.24 4.49 0.21 0.00 2.01 -0.42 -0.93 115.64 121.24 2f18 s THR 631 Ca -0.02 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2f18 s THR 631 Cb -0.04 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2f18 s THR 631 CO -0.01 0.58 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.15 2f18 s TYR 632 N -0.67 1.52 -0.05 4.92 1.51 0.13 -3.23 117.35 121.48 2f18 s TYR 632 Ca 0.11 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 2f18 s TYR 632 Cb -0.12 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 2f18 s TYR 632 CO 0.02 0.06 -0.16 0.08 -1.11 0.00 0.00 175.55 174.44 2f18 s VAL 633 N -3.32 1.36 -0.19 0.71 1.01 -0.19 -1.06 120.40 118.72 2f18 s VAL 633 Ca 0.24 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2f18 s VAL 633 Cb 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2f18 s VAL 633 CO 0.06 0.40 0.02 -0.76 0.00 0.00 0.00 175.10 174.82 2f18 s LEU 634 N 0.27 3.42 -0.03 3.92 1.43 0.04 -1.59 118.68 126.15 2f18 s LEU 634 Ca -0.09 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2f18 s LEU 634 Cb -0.13 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2f18 s LEU 634 CO 0.03 0.10 -0.15 -0.89 0.23 0.00 0.00 176.35 175.67 2f18 s THR 635 N 0.78 1.25 0.32 5.49 2.01 -0.28 -0.85 115.64 124.36 2f18 s THR 635 Ca 0.01 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 2f18 s THR 635 Cb -0.14 -1.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 2f18 s THR 635 CO 0.02 0.36 0.67 -0.51 -0.69 0.00 0.00 174.62 174.47 2f18 s ILE 636 N -0.14 4.83 0.20 1.82 2.07 -0.55 -1.15 121.20 128.29 2f18 s ILE 636 Ca 0.01 0.58 -0.00 0.00 -1.41 0.00 0.00 60.65 59.83 2f18 s ILE 636 Cb -0.08 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.80 2f18 s ILE 636 CO 0.01 -0.27 0.09 -0.94 -1.91 0.00 0.00 174.94 171.91 2f18 s SER 637 N -2.70 0.60 0.36 4.50 1.04 0.09 -4.95 113.70 112.64 2f18 s SER 637 Ca 0.50 -1.33 0.18 0.00 0.48 0.00 0.00 55.95 55.78 2f18 s SER 637 Cb -0.11 0.27 0.62 0.00 0.10 0.00 0.00 66.02 66.91 2f18 s SER 637 CO 0.24 -0.76 1.70 -2.24 0.98 0.00 0.00 173.24 173.17 2f18 h ASP 638 N 2.60 0.00 -5.87 7.02 2.03 -1.99 -3.44 116.42 116.77 2f18 h ASP 638 Ca -0.37 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.47 2f18 h ASP 638 Cb 1.23 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.61 2f18 h ASP 638 CO 0.57 0.39 -0.44 -0.94 -1.03 0.00 0.00 179.24 177.80 2f18 s SER 639 N -6.44 1.69 -0.22 4.15 1.04 -1.26 -5.02 113.70 107.64 2f18 s SER 639 Ca 0.00 -1.76 -0.38 0.00 0.48 0.00 0.00 55.95 54.30 2f18 s SER 639 Cb 0.11 0.59 -0.14 0.00 0.10 0.00 0.00 66.02 66.68 2f18 s SER 639 CO 0.69 -1.12 1.84 0.29 0.98 0.00 0.00 173.24 175.92 2f18 n LYS 640 N -0.64 1.52 -2.04 4.02 5.02 -1.26 -4.84 118.16 119.93 2f18 n LYS 640 Ca 0.07 0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 2f18 n LYS 640 Cb 0.62 -2.33 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2f18 n LYS 640 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2f18 s PRO 641 N 3.99 3.61 0.37 1.97 0.04 -1.26 -4.97 135.00 138.76 2f18 s PRO 641 Ca 0.97 0.89 0.06 0.00 0.04 0.00 0.00 61.00 62.97 2f18 s PRO 641 Cb -0.92 -2.08 0.76 0.00 0.04 0.00 0.00 34.50 32.30 2f18 s PRO 641 CO 0.60 -0.55 2.00 1.49 0.04 0.00 0.00 177.00 180.57 2f18 h GLU 642 N 0.15 0.69 -0.48 4.56 4.81 -1.98 -3.02 114.58 119.31 2f18 h GLU 642 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2f18 h GLU 642 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2f18 h GLU 642 CO 0.61 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 180.07 2f18 n HIS 643 N -4.47 1.33 -5.20 0.92 8.25 -1.26 -4.89 115.22 109.91 2f18 n HIS 643 Ca 0.08 -0.70 -0.32 0.00 -0.26 0.00 0.00 57.72 56.52 2f18 n HIS 643 Cb 0.15 -0.30 -0.17 0.00 1.12 0.00 0.00 29.99 30.79 2f18 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2f18 s THR 644 N -2.24 2.03 0.37 1.59 2.01 -1.14 -1.01 115.64 117.24 2f18 s THR 644 Ca 0.46 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.53 2f18 s THR 644 Cb 0.33 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2f18 s THR 644 CO 0.17 0.55 0.18 -0.94 -0.69 0.00 0.00 174.62 173.90 2f18 s SER 645 N 0.34 4.67 -0.08 3.53 1.04 -0.39 -4.66 113.70 118.15 2f18 s SER 645 Ca -0.19 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.43 2f18 s SER 645 Cb -0.18 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.30 2f18 s SER 645 CO 0.09 -0.41 -0.17 -0.31 0.98 0.00 0.00 173.24 173.42 2f18 s TYR 646 N -2.47 1.89 0.52 5.02 2.02 -1.26 -0.76 117.35 122.31 2f18 s TYR 646 Ca 0.40 -0.72 -0.20 0.00 -0.37 0.00 0.00 57.07 56.17 2f18 s TYR 646 Cb -0.01 -1.31 -0.06 0.00 -0.40 0.00 0.00 41.96 40.17 2f18 s TYR 646 CO 0.23 -0.32 1.15 0.00 -1.57 0.00 0.00 175.55 175.04 2f18 s ALA 647 N 0.49 2.77 0.50 3.71 0.00 -0.71 -4.92 121.76 123.59 2f18 s ALA 647 Ca -0.15 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 2f18 s ALA 647 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2f18 s ALA 647 CO 0.06 -0.76 0.79 -1.54 0.00 0.00 0.00 175.76 174.30 2f18 s SER 648 N -1.64 6.03 -0.02 0.00 1.04 0.22 -4.85 113.70 114.48 2f18 s SER 648 Ca 0.70 0.77 -0.00 0.00 0.48 0.00 0.00 55.95 57.90 2f18 s SER 648 Cb -0.26 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 63.88 2f18 s SER 648 CO 0.30 -0.71 0.03 0.20 0.98 0.00 0.00 173.24 174.03 2f18 s ASN 649 N -4.17 0.05 -0.10 7.02 0.01 -1.26 -1.06 114.94 115.43 2f18 s ASN 649 Ca 0.49 0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.67 2f18 s ASN 649 Cb -0.10 -0.05 0.03 0.00 0.41 0.00 0.00 41.25 41.53 2f18 s ASN 649 CO 0.44 -0.11 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.64 2f18 s LEU 650 N 0.88 1.08 -0.30 0.60 2.96 0.57 -0.99 118.68 123.48 2f18 s LEU 650 Ca -0.07 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 2f18 s LEU 650 Cb -0.11 -0.76 -0.03 0.00 0.50 0.00 0.00 46.19 45.80 2f18 s LEU 650 CO -0.02 -0.13 0.17 -0.22 -1.32 0.00 0.00 176.35 174.83 2f18 s LEU 651 N 1.72 4.06 -0.31 -0.68 1.98 0.05 -0.47 118.68 125.02 2f18 s LEU 651 Ca 0.04 -0.24 -0.08 0.00 -2.89 0.00 0.00 54.13 50.96 2f18 s LEU 651 Cb -0.13 -2.07 0.01 0.00 0.66 0.00 0.00 46.19 44.67 2f18 s LEU 651 CO -0.07 -0.12 0.12 -0.76 -1.89 0.00 0.00 176.35 173.63 2f18 s LEU 652 N 1.70 4.08 -0.22 -0.68 1.43 0.78 -1.92 118.68 123.84 2f18 s LEU 652 Ca 0.06 -0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 52.13 2f18 s LEU 652 Cb -0.16 -1.94 0.16 0.00 0.03 0.00 0.00 46.19 44.28 2f18 s LEU 652 CO 0.09 -0.23 1.21 0.00 0.23 0.00 0.00 176.35 177.64 2f18 s ARG 653 N 1.53 0.29 0.53 1.70 1.70 -0.36 -2.00 118.95 122.35 2f18 s ARG 653 Ca 0.03 0.03 -0.16 0.00 -0.47 0.00 0.00 55.73 55.16 2f18 s ARG 653 Cb -0.18 0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.27 2f18 s ARG 653 CO 0.04 -0.10 0.99 0.15 -1.08 0.00 0.00 175.30 175.30 2f18 s LYS 654 N -1.35 3.89 -1.16 3.89 1.02 -1.26 -4.19 119.74 120.57 2f18 s LYS 654 Ca 0.05 0.91 -0.04 0.00 0.02 0.00 0.00 55.97 56.91 2f18 s LYS 654 Cb -0.01 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 2f18 s LYS 654 CO -0.04 -0.32 0.89 -1.71 -0.92 0.00 0.00 175.35 173.25 2f18 n ASN 655 N -1.78 -3.84 -4.88 2.83 4.05 -1.26 -4.96 115.26 105.42 2f18 n ASN 655 Ca 0.06 -0.74 -0.30 0.00 0.45 0.00 0.00 54.58 54.05 2f18 n ASN 655 Cb 0.54 -4.75 0.01 0.00 1.23 0.00 0.00 39.78 36.82 2f18 n ASN 655 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2f18 s PRO 656 N -5.21 3.49 0.24 1.20 0.04 -1.26 -5.08 135.00 128.42 2f18 s PRO 656 Ca 0.21 0.65 0.06 0.00 0.04 0.00 0.00 61.00 61.97 2f18 s PRO 656 Cb -0.04 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2f18 s PRO 656 CO 0.76 -0.60 -0.08 0.95 0.04 0.00 0.00 177.00 178.08 2f18 s THR 657 N -3.16 1.54 0.76 1.26 -4.23 -1.26 -5.13 115.64 105.41 2f18 s THR 657 Ca 0.55 -2.13 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 2f18 s THR 657 Cb -0.11 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.50 2f18 s THR 657 CO 0.53 -0.41 1.20 -0.94 -0.54 0.00 0.00 174.62 174.46 2f18 s SER 658 N -3.37 3.99 -0.42 3.99 1.04 -1.26 -5.02 113.70 112.66 2f18 s SER 658 Ca 0.27 2.35 0.03 0.00 0.48 0.00 0.00 55.95 59.08 2f18 s SER 658 Cb 0.03 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 63.72 2f18 s SER 658 CO 0.09 -2.40 0.32 -0.76 0.98 0.00 0.00 173.24 171.47 2f18 s LEU 659 N -5.36 1.62 0.55 2.42 1.43 -1.26 -5.10 118.68 112.98 2f18 s LEU 659 Ca 0.74 -2.93 -0.19 0.00 -1.03 0.00 0.00 54.13 50.72 2f18 s LEU 659 Cb -0.29 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 2f18 s LEU 659 CO 0.47 -0.20 1.11 -2.16 0.23 0.00 0.00 176.35 175.81 2f18 s PRO 660 N 0.17 3.34 -0.13 1.29 0.04 -1.26 -4.62 135.00 133.83 2f18 s PRO 660 Ca 0.29 1.53 0.19 0.00 0.04 0.00 0.00 61.00 63.04 2f18 s PRO 660 Cb -0.04 -2.01 0.44 0.00 0.04 0.00 0.00 34.50 32.93 2f18 s PRO 660 CO -0.14 -0.85 1.18 1.28 0.04 0.00 0.00 177.00 178.51 2f18 n LEU 661 N -1.44 1.98 0.00 -3.56 4.77 -1.26 -4.71 117.00 112.78 2f18 n LEU 661 Ca 0.11 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 2f18 n LEU 661 Cb 0.51 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2f18 n LEU 661 CO 0.43 1.01 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 2f18 n GLY 662 N -0.28 3.77 0.05 -0.72 0.00 -1.26 -1.65 105.19 105.11 2f18 n GLY 662 Ca 0.14 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2f18 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f18 n GLN 663 N 14.00 0.85 -1.63 1.61 6.02 -1.26 -4.87 117.38 132.09 2f18 n GLN 663 Ca 0.00 -0.11 -0.50 0.00 -0.01 0.00 0.00 57.00 56.38 2f18 n GLN 663 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 2f18 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2f18 n TYR 664 N -0.98 1.86 0.63 1.08 9.36 -0.66 -4.85 117.16 123.61 2f18 n TYR 664 Ca 0.20 0.47 0.10 0.00 3.32 0.00 0.00 57.90 61.99 2f18 n TYR 664 Cb 0.19 -2.43 0.44 0.00 -0.63 0.00 0.00 39.34 36.90 2f18 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2f18 n PRO 665 N 3.22 0.07 -4.70 2.98 -0.04 -1.26 -4.72 135.00 130.55 2f18 n PRO 665 Ca 0.19 0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 63.53 2f18 n PRO 665 Cb 0.23 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 2f18 n PRO 665 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2f18 s GLU 666 N -3.07 3.44 0.28 0.54 0.41 -1.26 -5.10 118.70 113.94 2f18 s GLU 666 Ca 0.09 -0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 53.70 2f18 s GLU 666 Cb 0.12 -2.69 -0.10 0.00 -1.78 0.00 0.00 34.13 29.69 2f18 s GLU 666 CO 0.40 0.22 1.12 -0.51 -0.49 0.00 0.00 175.26 176.00 2f18 s ASP 667 N 0.34 7.23 0.38 -0.19 1.01 -1.26 -4.91 116.67 119.27 2f18 s ASP 667 Ca -0.09 2.30 -0.27 0.00 0.71 0.00 0.00 52.55 55.19 2f18 s ASP 667 Cb -0.16 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.05 2f18 s ASP 667 CO 0.05 -0.18 1.39 -0.69 0.21 0.00 0.00 175.17 175.95 2f18 s VAL 668 N -1.10 2.34 0.11 -1.27 1.01 -1.26 -4.73 120.40 115.49 2f18 s VAL 668 Ca 0.45 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.79 2f18 s VAL 668 Cb -0.32 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2f18 s VAL 668 CO 0.42 0.07 0.11 -0.54 0.00 0.00 0.00 175.10 175.15 2f18 s LYS 669 N -2.11 2.94 0.15 2.72 3.01 -0.16 -4.99 119.74 121.29 2f18 s LYS 669 Ca 0.54 -0.73 0.07 0.00 -1.01 0.00 0.00 55.97 54.84 2f18 s LYS 669 Cb -0.43 -2.72 -0.04 0.00 -1.01 0.00 0.00 37.83 33.63 2f18 s LYS 669 CO 0.56 0.54 -0.16 -0.06 0.51 0.00 0.00 175.35 176.75 2f18 s PHE 670 N -1.53 1.60 0.06 3.18 0.40 -1.26 -0.77 117.98 119.66 2f18 s PHE 670 Ca 0.30 -0.52 -0.27 0.00 -0.60 0.00 0.00 56.93 55.83 2f18 s PHE 670 Cb -0.11 -0.81 0.09 0.00 0.51 0.00 0.00 43.02 42.69 2f18 s PHE 670 CO 0.23 0.23 0.95 0.20 0.70 0.00 0.00 175.22 177.54 2f18 s GLY 671 N -2.61 -0.35 0.57 4.36 0.00 -0.81 -4.91 107.32 103.56 2f18 s GLY 671 Ca 0.13 0.62 -0.16 0.00 0.00 0.00 0.00 44.72 45.31 2f18 s GLY 671 CO 0.05 0.18 1.04 0.99 0.00 0.00 0.00 173.10 175.36 2f18 s ASP 672 N -2.70 5.97 0.29 1.64 1.01 -1.26 -1.22 116.67 120.40 2f18 s ASP 672 Ca 0.09 1.79 -0.28 0.00 0.71 0.00 0.00 52.55 54.86 2f18 s ASP 672 Cb -0.01 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.25 2f18 s ASP 672 CO -0.04 -1.04 0.99 -2.65 0.21 0.00 0.00 175.17 172.64 2f18 n PRO 673 N -1.85 1.30 -3.45 8.23 -0.02 -1.26 -4.68 135.00 133.27 2f18 n PRO 673 Ca 0.08 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2f18 n PRO 673 Cb 0.53 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 2f18 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2f18 s ARG 674 N -1.56 1.16 0.52 -0.52 1.70 -1.26 -5.00 118.95 113.99 2f18 s ARG 674 Ca 0.59 -0.30 -0.21 0.00 -0.47 0.00 0.00 55.73 55.34 2f18 s ARG 674 Cb -0.70 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.16 2f18 s ARG 674 CO 0.60 -0.48 1.17 -1.21 -1.08 0.00 0.00 175.30 174.29 2f18 s GLU 675 N -3.14 3.45 0.07 3.89 2.02 -1.26 -4.16 118.70 119.57 2f18 s GLU 675 Ca -0.01 1.74 -0.05 0.00 0.02 0.00 0.00 54.97 56.67 2f18 s GLU 675 Cb -0.01 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 2f18 s GLU 675 CO -0.08 -0.80 0.09 0.96 0.02 0.00 0.00 175.26 175.45 2f18 s ILE 676 N -1.63 0.18 -0.00 -1.63 -4.36 -0.98 -4.98 121.20 107.79 2f18 s ILE 676 Ca 0.70 -1.48 0.05 0.00 -0.26 0.00 0.00 60.65 59.66 2f18 s ILE 676 Cb -0.27 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 2f18 s ILE 676 CO 0.32 -0.80 -0.15 -0.44 0.24 0.00 0.00 174.94 174.11 2f18 s SER 677 N -2.89 1.74 0.02 4.36 0.01 -1.26 -0.42 113.70 115.26 2f18 s SER 677 Ca 0.06 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2f18 s SER 677 Cb 0.06 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2f18 s SER 677 CO -0.10 0.16 -0.04 -0.76 0.41 0.00 0.00 173.24 172.91 2f18 s LEU 678 N -0.49 2.23 -0.11 2.44 1.43 -0.34 -4.98 118.68 118.86 2f18 s LEU 678 Ca 0.05 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 2f18 s LEU 678 Cb -0.06 0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.25 2f18 s LEU 678 CO -0.00 -0.26 0.25 -0.60 0.23 0.00 0.00 176.35 175.96 2f18 s ARG 679 N -1.41 0.18 -0.15 1.70 3.52 -1.26 -1.01 118.95 120.52 2f18 s ARG 679 Ca -0.14 0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 56.03 2f18 s ARG 679 Cb -0.09 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 2f18 s ARG 679 CO -0.01 -0.22 0.02 0.08 -0.81 0.00 0.00 175.30 174.37 2f18 s VAL 680 N 1.76 4.42 0.00 7.11 1.01 -1.26 -4.99 120.40 128.45 2f18 s VAL 680 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2f18 s VAL 680 Cb -0.11 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2f18 s VAL 680 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2f18 n GLY 681 N 3.18 3.12 1.13 4.51 0.00 -1.26 -1.75 105.19 114.13 2f18 n GLY 681 Ca -0.17 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2f18 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2f18 n ASN 682 N 2.41 3.72 -3.12 1.61 3.02 -1.26 -4.99 115.26 116.66 2f18 n ASN 682 Ca 0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 2f18 n ASN 682 Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2f18 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f18 n GLY 683 N 1.14 -1.91 3.78 7.41 0.00 -0.71 -4.96 105.19 109.93 2f18 n GLY 683 Ca 0.20 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2f18 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f18 s PRO 684 N -0.83 2.39 -0.19 1.61 0.04 -1.26 -4.80 135.00 131.97 2f18 s PRO 684 Ca 0.00 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.10 2f18 s PRO 684 Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2f18 s PRO 684 CO 0.00 -1.54 0.01 0.99 0.04 0.00 0.00 177.00 176.50 2f18 s THR 685 N -2.94 4.20 -0.09 1.26 2.01 -0.25 -4.27 115.64 115.55 2f18 s THR 685 Ca 0.60 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.38 2f18 s THR 685 Cb -0.16 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2f18 s THR 685 CO 0.56 0.45 -0.11 -0.76 -0.69 0.00 0.00 174.62 174.07 2f18 s LEU 686 N 0.68 2.89 -0.05 4.42 1.43 -0.18 -0.76 118.68 127.12 2f18 s LEU 686 Ca 0.00 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2f18 s LEU 686 Cb -0.14 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2f18 s LEU 686 CO 0.02 0.27 -0.03 0.00 0.23 0.00 0.00 176.35 176.84 2f18 s ALA 687 N -0.28 3.15 0.06 4.21 0.00 -0.54 -1.19 121.76 127.16 2f18 s ALA 687 Ca 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2f18 s ALA 687 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2f18 s ALA 687 CO 0.03 0.60 -0.20 -0.06 0.00 0.00 0.00 175.76 176.12 2f18 s PHE 688 N -0.92 1.78 0.97 0.00 0.40 0.43 -0.23 117.98 120.41 2f18 s PHE 688 Ca 0.15 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 2f18 s PHE 688 Cb -0.11 -1.04 0.17 0.00 0.51 0.00 0.00 43.02 42.55 2f18 s PHE 688 CO 0.05 0.12 1.10 -1.54 0.70 0.00 0.00 175.22 175.65 2f18 s SER 689 N -1.36 2.88 0.20 1.36 1.04 0.45 -2.31 113.70 115.97 2f18 s SER 689 Ca 0.07 1.15 0.19 0.00 0.48 0.00 0.00 55.95 57.84 2f18 s SER 689 Cb -0.09 -1.80 0.87 0.00 0.10 0.00 0.00 66.02 65.10 2f18 s SER 689 CO 0.02 -2.96 1.58 -1.84 0.98 0.00 0.00 173.24 171.02 2f18 n GLU 690 N -4.06 0.13 -0.26 4.02 0.28 -1.26 -1.19 120.64 118.30 2f18 n GLU 690 Ca 0.06 0.45 0.08 0.00 -0.16 0.00 0.00 57.16 57.59 2f18 n GLU 690 Cb 0.58 -1.79 0.22 0.00 1.43 0.00 0.00 31.44 31.88 2f18 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2f18 n GLN 691 N -2.04 2.17 -0.95 3.44 3.00 -1.26 -4.45 117.38 117.29 2f18 n GLN 691 Ca 0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 2f18 n GLN 691 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2f18 n GLN 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2f18 n GLY 692 N 1.29 0.45 3.61 1.08 0.00 -0.33 -4.90 105.19 106.39 2f18 n GLY 692 Ca 0.17 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2f18 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f18 s LEU 693 N 0.00 3.26 0.29 0.99 1.43 -1.26 -4.75 118.68 118.64 2f18 s LEU 693 Ca 0.00 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 2f18 s LEU 693 Cb 0.00 -1.74 -0.13 0.00 0.03 0.00 0.00 46.19 44.35 2f18 s LEU 693 CO 0.00 0.35 1.30 -0.11 0.23 0.00 0.00 176.35 178.12 2f18 n LEU 694 N 2.08 3.11 0.00 1.79 7.94 -1.26 -0.41 117.00 130.25 2f18 n LEU 694 Ca -0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 2f18 n LEU 694 Cb 0.53 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2f18 n LEU 694 CO 0.28 -0.62 -0.49 1.17 -1.11 0.00 0.00 177.39 176.62 2f18 n LYS 695 N 1.19 2.77 -3.44 1.96 4.81 0.67 -2.12 118.16 124.01 2f18 n LYS 695 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 2f18 n LYS 695 Cb 0.33 -0.99 -0.03 0.00 0.02 0.00 0.00 35.03 34.37 2f18 n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2f18 s SER 696 N -3.26 -0.58 -0.06 3.14 1.04 -1.12 -1.59 113.70 111.27 2f18 s SER 696 Ca 0.00 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2f18 s SER 696 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2f18 s SER 696 CO 0.00 -0.91 -0.09 -0.63 0.98 0.00 0.00 173.24 172.59 2f18 s ILE 697 N -3.32 0.89 -0.27 -1.02 1.01 -0.53 -1.46 121.20 116.50 2f18 s ILE 697 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2f18 s ILE 697 Cb -0.01 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.65 2f18 s ILE 697 CO -0.09 0.30 -0.05 -1.58 0.00 0.00 0.00 174.94 173.52 2f18 s GLN 698 N 0.75 2.66 0.22 2.79 0.74 0.06 -0.56 119.66 126.32 2f18 s GLN 698 Ca -0.13 -1.10 -0.05 0.00 0.05 0.00 0.00 55.36 54.12 2f18 s GLN 698 Cb -0.15 -3.04 0.19 0.00 1.10 0.00 0.00 33.01 31.10 2f18 s GLN 698 CO 0.02 -0.48 1.67 -0.07 -0.55 0.00 0.00 175.29 175.87 2f18 h LEU 699 N 7.99 0.87 -8.43 3.68 3.38 -1.85 -0.65 115.31 120.29 2f18 h LEU 699 Ca -0.28 -0.27 -0.19 0.00 0.09 0.00 0.00 57.88 57.24 2f18 h LEU 699 Cb 1.09 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 2f18 h LEU 699 CO 0.55 0.99 -0.63 0.42 0.09 0.00 0.00 178.44 179.86 2f18 s THR 700 N -4.83 0.09 0.31 0.22 -4.23 -1.26 -4.15 115.64 101.79 2f18 s THR 700 Ca -0.10 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2f18 s THR 700 Cb 0.14 -2.09 0.34 0.00 1.34 0.00 0.00 72.50 72.22 2f18 s THR 700 CO 0.84 -0.40 1.63 1.56 -0.54 0.00 0.00 174.62 177.70 2f18 h GLN 701 N 2.82 0.16 0.13 3.99 1.08 -1.92 -2.89 115.11 118.48 2f18 h GLN 701 Ca -0.35 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.61 2f18 h GLN 701 Cb 1.21 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2f18 h GLN 701 CO 0.58 0.10 -1.08 0.38 -0.95 0.00 0.00 178.83 177.86 2f18 h ASP 702 N 0.16 0.43 -2.51 1.46 2.03 -1.99 -3.49 116.42 112.52 2f18 h ASP 702 Ca 0.62 -0.90 -0.51 0.00 -0.73 0.00 0.00 57.03 55.50 2f18 h ASP 702 Cb 1.33 -0.14 0.23 0.00 -0.83 0.00 0.00 39.33 39.92 2f18 h ASP 702 CO -0.71 1.50 -1.26 -1.54 -1.03 0.00 0.00 179.24 176.20 2f18 n SER 703 N -4.04 -3.10 -4.83 4.15 3.41 -1.09 -4.97 113.62 103.15 2f18 n SER 703 Ca -0.19 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 2f18 n SER 703 Cb 0.86 -0.96 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2f18 n SER 703 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2f18 s PRO 704 N -3.04 3.05 -0.69 4.33 0.04 -1.26 -4.83 135.00 132.60 2f18 s PRO 704 Ca 0.50 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.23 2f18 s PRO 704 Cb -0.14 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.46 2f18 s PRO 704 CO 0.70 -1.01 1.03 -1.01 0.04 0.00 0.00 177.00 176.75 2f18 s HIS 705 N -3.07 2.63 -0.10 0.56 3.76 -1.26 -4.30 115.29 113.51 2f18 s HIS 705 Ca 0.57 -0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 2f18 s HIS 705 Cb -0.13 -4.35 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 2f18 s HIS 705 CO 0.55 -1.71 1.23 0.08 -0.85 0.00 0.00 174.74 174.03 2f18 s VAL 706 N 4.27 4.27 0.07 -0.90 1.01 0.28 -4.78 120.40 124.62 2f18 s VAL 706 Ca 0.25 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 2f18 s VAL 706 Cb -0.15 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2f18 s VAL 706 CO 0.10 -0.06 1.85 -2.84 0.00 0.00 0.00 175.10 174.15 2f18 s PRO 707 N 2.75 4.15 -0.27 2.72 0.02 -1.26 -1.45 135.00 141.66 2f18 s PRO 707 Ca 0.55 2.55 -0.02 0.00 0.02 0.00 0.00 61.00 64.10 2f18 s PRO 707 Cb -0.23 -3.84 0.12 0.00 0.02 0.00 0.00 34.50 30.56 2f18 s PRO 707 CO 0.19 -0.88 0.23 0.08 -0.33 0.00 0.00 177.00 176.29 2f18 s VAL 708 N 3.48 -0.29 -0.18 3.83 1.01 -0.62 -4.16 120.40 123.46 2f18 s VAL 708 Ca 0.83 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 2f18 s VAL 708 Cb -0.43 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2f18 s VAL 708 CO 0.37 -0.47 -0.05 -2.28 0.00 0.00 0.00 175.10 172.67 2f18 s HIS 709 N 2.28 2.95 0.13 5.22 5.04 -0.34 -2.99 115.29 127.58 2f18 s HIS 709 Ca 0.09 -0.63 -0.19 0.00 -1.54 0.00 0.00 55.06 52.78 2f18 s HIS 709 Cb -0.15 -2.01 -0.07 0.00 0.04 0.00 0.00 32.58 30.39 2f18 s HIS 709 CO -0.29 -0.30 0.62 -0.06 -2.34 0.00 0.00 174.74 172.37 2f18 s PHE 710 N 0.88 3.75 -0.06 3.88 0.08 -0.90 -0.90 117.98 124.71 2f18 s PHE 710 Ca -0.01 1.30 -0.11 0.00 0.12 0.00 0.00 56.93 58.22 2f18 s PHE 710 Cb -0.15 -2.53 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2f18 s PHE 710 CO 0.01 0.50 0.27 0.21 -0.10 0.00 0.00 175.22 176.11 2f18 s LYS 711 N -1.46 0.48 -0.11 0.44 2.20 -0.06 -4.75 119.74 116.47 2f18 s LYS 711 Ca 0.34 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 2f18 s LYS 711 Cb -0.18 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2f18 s LYS 711 CO 0.20 -0.10 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.95 2f18 s PHE 712 N -0.63 2.93 0.27 4.03 0.40 -1.26 -0.41 117.98 123.30 2f18 s PHE 712 Ca -0.07 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2f18 s PHE 712 Cb -0.04 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2f18 s PHE 712 CO 0.02 0.05 0.13 -0.51 0.70 0.00 0.00 175.22 175.61 2f18 s LEU 713 N -0.08 1.60 -0.02 -0.37 1.02 -0.39 -1.23 118.68 119.21 2f18 s LEU 713 Ca 0.00 -1.46 0.02 0.00 0.02 0.00 0.00 54.13 52.71 2f18 s LEU 713 Cb -0.13 0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.21 2f18 s LEU 713 CO 0.03 -0.81 -0.08 -1.59 0.02 0.00 0.00 176.35 173.92 2f18 s LYS 714 N -3.95 0.79 0.07 1.70 -2.85 0.53 -1.09 119.74 114.94 2f18 s LYS 714 Ca 0.37 -0.27 0.01 0.00 -1.00 0.00 0.00 55.97 55.08 2f18 s LYS 714 Cb 0.06 -0.76 -0.04 0.00 -2.06 0.00 0.00 37.83 35.04 2f18 s LYS 714 CO 0.15 0.12 0.15 0.71 0.10 0.00 0.00 175.35 176.58 2f18 s TYR 715 N 0.10 3.38 0.00 1.78 2.02 0.16 -0.98 117.35 123.81 2f18 s TYR 715 Ca -0.01 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2f18 s TYR 715 Cb -0.07 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 2f18 s TYR 715 CO 0.00 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.95 2f18 n GLY 716 N 0.36 5.18 3.29 0.71 0.00 -1.26 -0.96 105.19 112.51 2f18 n GLY 716 Ca -0.07 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 2f18 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f18 s VAL 717 N 0.73 1.70 0.36 1.61 1.01 -1.25 -3.24 120.40 121.32 2f18 s VAL 717 Ca 0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.12 2f18 s VAL 717 Cb 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 2f18 s VAL 717 CO 0.00 -0.11 1.13 -0.13 0.00 0.00 0.00 175.10 176.00 2f18 s ARG 718 N -2.04 4.27 0.00 2.72 0.52 -1.26 -4.67 118.95 118.50 2f18 s ARG 718 Ca 0.07 1.79 0.24 0.00 -0.52 0.00 0.00 55.73 57.31 2f18 s ARG 718 Cb -0.09 -2.83 0.24 0.00 0.52 0.00 0.00 34.95 32.80 2f18 s ARG 718 CO 0.04 -0.12 1.23 -1.13 0.02 0.00 0.00 175.30 175.35 2f18 n SER 719 N 0.42 0.67 -3.97 0.23 3.41 -1.26 -4.84 113.62 108.28 2f18 n SER 719 Ca 0.03 -0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 58.01 2f18 n SER 719 Cb 0.46 0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 64.80 2f18 n SER 719 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2f18 s HIS 720 N -3.01 0.40 0.00 7.33 0.00 -1.26 -5.10 115.29 113.65 2f18 s HIS 720 Ca 0.10 -0.24 0.00 0.00 -3.00 0.00 0.00 55.06 51.91 2f18 s HIS 720 Cb 0.17 -0.25 0.00 0.00 -4.00 0.00 0.00 32.58 28.50 2f18 s HIS 720 CO 0.76 -0.05 0.00 0.41 -1.00 0.00 0.00 174.74 174.86 2f18 n GLY 721 N 2.39 -0.77 3.76 -1.38 0.00 -1.26 -4.93 105.19 102.99 2f18 n GLY 721 Ca -0.17 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2f18 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f18 s ASP 722 N -4.00 7.54 -0.12 1.61 1.01 -1.26 -5.03 116.67 116.42 2f18 s ASP 722 Ca 0.00 1.85 -0.06 0.00 0.71 0.00 0.00 52.55 55.05 2f18 s ASP 722 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2f18 s ASP 722 CO 0.00 0.14 0.12 -0.13 0.21 0.00 0.00 175.17 175.52 2f18 s ARG 723 N -1.29 3.39 0.59 8.23 3.00 -1.26 -4.61 118.95 127.00 2f18 s ARG 723 Ca 0.41 -0.16 -0.20 0.00 0.00 0.00 0.00 55.73 55.78 2f18 s ARG 723 Cb -0.24 -3.15 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 2f18 s ARG 723 CO 0.29 0.77 1.24 0.43 0.00 0.00 0.00 175.30 178.03 2f18 n SER 724 N 2.01 2.02 -0.20 0.23 7.64 -1.26 -4.57 113.62 119.49 2f18 n SER 724 Ca -0.20 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2f18 n SER 724 Cb 0.55 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2f18 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f18 n GLY 725 N 0.94 3.77 0.32 0.23 0.00 -0.89 -4.49 105.19 105.07 2f18 n GLY 725 Ca 0.13 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 45.12 2f18 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f18 h ALA 726 N 1.55 1.87 0.01 4.61 0.00 -1.86 -3.21 119.26 122.24 2f18 h ALA 726 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2f18 h ALA 726 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2f18 h ALA 726 CO 0.00 0.07 -1.63 0.66 0.00 0.00 0.00 179.25 178.35 2f18 n TYR 727 N -4.48 0.82 -3.50 0.00 4.02 -1.26 -2.71 117.16 110.04 2f18 n TYR 727 Ca 0.05 0.32 -0.36 0.00 -0.01 0.00 0.00 57.90 57.90 2f18 n TYR 727 Cb 0.18 -1.09 -0.06 0.00 -0.02 0.00 0.00 39.34 38.36 2f18 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2f18 s LEU 728 N -7.68 4.42 -0.31 7.72 1.43 -1.21 -1.15 118.68 121.88 2f18 s LEU 728 Ca -0.30 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2f18 s LEU 728 Cb 0.08 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.52 2f18 s LEU 728 CO 0.59 0.24 0.06 0.12 0.23 0.00 0.00 176.35 177.59 2f18 s PHE 729 N -1.24 3.22 -0.53 0.29 5.36 -1.12 -2.09 117.98 121.88 2f18 s PHE 729 Ca 0.29 -1.48 0.06 0.00 -0.96 0.00 0.00 56.93 54.84 2f18 s PHE 729 Cb -0.16 -2.21 0.23 0.00 -0.34 0.00 0.00 43.02 40.55 2f18 s PHE 729 CO 0.16 -0.73 0.60 1.28 -1.46 0.00 0.00 175.22 175.07 2f18 n LEU 730 N 4.76 1.95 -4.72 6.12 4.77 -1.26 -4.64 117.00 123.97 2f18 n LEU 730 Ca -0.13 -5.04 -0.35 0.00 -0.03 0.00 0.00 56.01 50.46 2f18 n LEU 730 Cb 0.45 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2f18 n LEU 730 CO 0.30 2.01 0.83 -2.16 -1.33 0.00 0.00 177.39 177.04 2f18 s PRO 731 N -1.65 2.26 -1.01 3.23 0.04 -1.26 -4.03 135.00 132.58 2f18 s PRO 731 Ca 0.36 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2f18 s PRO 731 Cb 0.13 -1.84 0.26 0.00 0.04 0.00 0.00 34.50 33.09 2f18 s PRO 731 CO -0.08 -1.76 2.06 0.27 0.04 0.00 0.00 177.00 177.53 2f18 n ASN 732 N -2.46 7.47 0.00 6.66 6.94 -1.20 -4.77 115.26 127.90 2f18 n ASN 732 Ca 0.14 -3.56 0.00 0.00 -0.02 0.00 0.00 54.58 51.14 2f18 n ASN 732 Cb 0.50 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.72 2f18 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2f18 n GLY 733 N 0.30 0.42 3.67 4.83 0.00 -1.26 -4.86 105.19 108.28 2f18 n GLY 733 Ca 0.52 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2f18 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f18 n PRO 734 N 0.01 0.31 -1.60 1.61 -0.02 -1.26 -4.81 135.00 129.24 2f18 n PRO 734 Ca 0.00 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 2f18 n PRO 734 Cb 0.00 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.17 2f18 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f18 s ALA 735 N -2.01 2.35 0.02 3.55 0.00 -1.26 -4.93 121.76 119.48 2f18 s ALA 735 Ca 0.73 0.55 0.05 0.00 0.00 0.00 0.00 51.96 53.30 2f18 s ALA 735 Cb -0.31 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2f18 s ALA 735 CO 0.51 -1.49 -0.13 -1.12 0.00 0.00 0.00 175.76 173.53 2f18 s SER 736 N -2.63 4.15 0.42 0.00 0.01 -0.15 -4.83 113.70 110.66 2f18 s SER 736 Ca 0.67 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.38 2f18 s SER 736 Cb -0.21 -0.82 -0.09 0.00 0.21 0.00 0.00 66.02 65.10 2f18 s SER 736 CO 0.45 0.28 1.44 -2.84 0.41 0.00 0.00 173.24 172.97 2f18 s PRO 737 N -1.36 3.86 0.21 12.44 0.02 -1.26 -0.34 135.00 148.57 2f18 s PRO 737 Ca 0.15 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 2f18 s PRO 737 Cb -0.11 -2.78 -0.09 0.00 0.02 0.00 0.00 34.50 31.55 2f18 s PRO 737 CO 0.06 -0.68 1.22 0.08 -0.33 0.00 0.00 177.00 177.34 2f18 s VAL 738 N -1.18 3.40 -0.24 3.83 1.01 -0.36 -4.75 120.40 122.12 2f18 s VAL 738 Ca 0.58 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 2f18 s VAL 738 Cb -0.44 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2f18 s VAL 738 CO 0.58 0.21 1.11 -1.61 0.00 0.00 0.00 175.10 175.39 2f18 s GLU 739 N -0.49 4.20 0.28 2.72 2.02 -1.26 -4.91 118.70 121.25 2f18 s GLU 739 Ca 0.52 1.36 0.23 0.00 0.02 0.00 0.00 54.97 57.10 2f18 s GLU 739 Cb -0.34 -3.70 0.11 0.00 0.10 0.00 0.00 34.13 30.30 2f18 s GLU 739 CO 0.39 -0.73 1.23 -0.07 0.02 0.00 0.00 175.26 176.10 2f18 h LEU 740 N 9.71 0.00 0.00 1.80 3.38 -1.98 -3.44 115.31 124.78 2f18 h LEU 740 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2f18 h LEU 740 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2f18 h LEU 740 CO 0.99 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2f18 n GLY 741 N 1.16 1.00 2.95 0.83 0.00 -1.26 -3.86 105.19 105.99 2f18 n GLY 741 Ca 0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2f18 n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f18 s GLN 742 N 0.00 2.23 0.67 1.61 0.74 -1.26 -5.09 119.66 118.55 2f18 s GLN 742 Ca 0.00 -2.90 -0.15 0.00 0.05 0.00 0.00 55.36 52.36 2f18 s GLN 742 Cb 0.00 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2f18 s GLN 742 CO 0.00 -1.18 1.11 -1.25 -0.55 0.00 0.00 175.29 173.42 2f18 s PRO 743 N -0.73 2.77 0.02 1.67 0.04 -1.25 -5.00 135.00 132.51 2f18 s PRO 743 Ca 0.20 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 2f18 s PRO 743 Cb -0.17 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2f18 s PRO 743 CO -0.06 -1.27 0.91 0.08 0.04 0.00 0.00 177.00 176.69 2f18 s VAL 744 N -2.39 4.81 -0.09 -0.36 1.01 -1.26 -4.86 120.40 117.26 2f18 s VAL 744 Ca 0.66 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.59 2f18 s VAL 744 Cb -0.20 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2f18 s VAL 744 CO 0.43 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2f18 s VAL 745 N 0.65 2.55 -0.18 2.92 1.01 -0.85 -2.26 120.40 124.25 2f18 s VAL 745 Ca 0.47 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2f18 s VAL 745 Cb -0.21 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2f18 s VAL 745 CO 0.26 0.55 -0.16 -0.22 0.00 0.00 0.00 175.10 175.54 2f18 s LEU 746 N 0.08 2.36 -0.21 3.92 2.96 0.31 -0.16 118.68 127.94 2f18 s LEU 746 Ca -0.08 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2f18 s LEU 746 Cb -0.15 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2f18 s LEU 746 CO 0.05 0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 2f18 s VAL 747 N 1.15 3.35 -0.16 1.68 1.01 0.38 -0.91 120.40 126.90 2f18 s VAL 747 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2f18 s VAL 747 Cb -0.14 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2f18 s VAL 747 CO -0.07 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.45 2f18 s THR 748 N 1.33 2.81 -0.18 3.92 2.01 -0.18 -0.31 115.64 125.03 2f18 s THR 748 Ca 0.04 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2f18 s THR 748 Cb -0.14 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2f18 s THR 748 CO -0.02 0.50 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.47 2f18 s LYS 749 N 0.90 2.83 0.23 4.92 2.20 -0.23 -0.46 119.74 130.14 2f18 s LYS 749 Ca -0.03 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 2f18 s LYS 749 Cb -0.15 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 2f18 s LYS 749 CO -0.01 -0.24 0.05 0.20 -0.36 0.00 0.00 175.35 174.99 2f18 s GLY 750 N 1.31 1.58 0.24 5.54 0.00 -1.04 -0.61 107.32 114.34 2f18 s GLY 750 Ca 0.04 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.01 2f18 s GLY 750 CO -0.12 -1.60 1.58 1.70 0.00 0.00 0.00 173.10 174.66 2f18 h LYS 751 N 2.47 0.33 0.00 2.90 3.64 -1.97 -3.32 116.57 120.62 2f18 h LYS 751 Ca -0.38 -0.20 -0.28 0.00 -1.27 0.00 0.00 60.65 58.52 2f18 h LYS 751 Cb 1.23 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2f18 h LYS 751 CO 0.62 0.78 -2.24 1.28 -2.27 0.00 0.00 179.45 177.62 2f18 n LEU 752 N -3.94 0.00 -3.69 5.20 4.77 -1.26 -4.50 117.00 113.58 2f18 n LEU 752 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2f18 n LEU 752 Cb 0.58 0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.94 2f18 n LEU 752 CO 0.44 0.38 0.13 -0.70 -1.33 0.00 0.00 177.39 176.31 2f18 s GLU 753 N -2.67 0.48 0.20 3.23 2.12 -1.25 -4.51 118.70 116.31 2f18 s GLU 753 Ca -0.09 0.82 0.06 0.00 0.36 0.00 0.00 54.97 56.12 2f18 s GLU 753 Cb 0.07 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2f18 s GLU 753 CO 0.80 -0.13 -0.09 -1.12 -0.54 0.00 0.00 175.26 174.18 2f18 s SER 754 N 1.13 2.17 0.13 -1.70 0.01 -0.54 -2.48 113.70 112.42 2f18 s SER 754 Ca -0.07 -1.08 -0.20 0.00 1.31 0.00 0.00 55.95 55.90 2f18 s SER 754 Cb -0.07 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.16 2f18 s SER 754 CO -0.10 -0.32 0.52 -0.94 0.41 0.00 0.00 173.24 172.80 2f18 s SER 755 N -3.28 -0.43 -0.11 2.44 1.04 0.39 -0.43 113.70 113.32 2f18 s SER 755 Ca 0.23 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2f18 s SER 755 Cb 0.02 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2f18 s SER 755 CO 0.06 -0.90 -0.11 -0.69 0.98 0.00 0.00 173.24 172.57 2f18 s VAL 756 N -3.63 1.26 -0.01 5.02 1.01 -0.41 -1.01 120.40 122.62 2f18 s VAL 756 Ca 0.01 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2f18 s VAL 756 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2f18 s VAL 756 CO -0.11 0.40 -0.20 -0.44 0.00 0.00 0.00 175.10 174.75 2f18 s SER 757 N 1.36 2.36 -0.01 3.32 0.01 -0.08 -0.65 113.70 120.00 2f18 s SER 757 Ca -0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2f18 s SER 757 Cb -0.14 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2f18 s SER 757 CO -0.06 0.24 -0.00 0.54 0.41 0.00 0.00 173.24 174.38 2f18 s VAL 758 N -0.48 0.07 -0.73 3.43 0.11 0.07 -0.53 120.40 122.34 2f18 s VAL 758 Ca 0.08 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.95 2f18 s VAL 758 Cb -0.08 -0.10 0.12 0.00 -1.53 0.00 0.00 36.38 34.79 2f18 s VAL 758 CO -0.01 0.05 0.89 -0.83 -3.33 0.00 0.00 175.10 171.87 2f18 s GLY 759 N 0.28 1.82 0.38 6.54 0.00 -0.96 -1.20 107.32 114.19 2f18 s GLY 759 Ca -0.02 -2.41 0.06 0.00 0.00 0.00 0.00 44.72 42.34 2f18 s GLY 759 CO -0.01 1.77 0.54 1.08 0.00 0.00 0.00 173.10 176.48 2f18 s LEU 760 N 2.72 3.82 0.08 0.66 1.43 -0.03 -4.39 118.68 122.97 2f18 s LEU 760 Ca 0.20 -0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 52.84 2f18 s LEU 760 Cb -0.16 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 2f18 s LEU 760 CO 0.01 -0.58 1.66 -2.84 0.23 0.00 0.00 176.35 174.83 2f18 s PRO 761 N -4.30 4.19 0.00 1.29 0.02 -1.26 -1.87 135.00 133.07 2f18 s PRO 761 Ca 0.48 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2f18 s PRO 761 Cb -0.10 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.85 2f18 s PRO 761 CO 0.33 -0.74 0.00 0.43 -0.33 0.00 0.00 177.00 176.69 2f18 n SER 762 N 5.52 0.00 -3.66 2.53 7.64 -1.26 -4.97 113.62 119.41 2f18 n SER 762 Ca 0.16 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 2f18 n SER 762 Cb 0.40 -0.88 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 2f18 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2f18 s VAL 763 N -2.77 -0.48 -0.39 0.44 1.01 -0.78 -0.86 120.40 116.58 2f18 s VAL 763 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 2f18 s VAL 763 Cb 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2f18 s VAL 763 CO 0.00 0.10 0.64 -0.69 0.00 0.00 0.00 175.10 175.15 2f18 s VAL 764 N 2.44 4.86 -0.18 2.92 1.01 -0.45 -0.85 120.40 130.16 2f18 s VAL 764 Ca -0.00 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2f18 s VAL 764 Cb -0.12 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2f18 s VAL 764 CO -0.10 -0.42 0.10 -2.28 0.00 0.00 0.00 175.10 172.40 2f18 s HIS 765 N 2.77 3.34 -0.01 5.22 5.04 -0.34 -0.98 115.29 130.33 2f18 s HIS 765 Ca 0.24 0.22 0.03 0.00 -1.54 0.00 0.00 55.06 54.01 2f18 s HIS 765 Cb -0.14 -2.10 -0.01 0.00 0.04 0.00 0.00 32.58 30.38 2f18 s HIS 765 CO 0.16 0.27 -0.10 -1.14 -2.34 0.00 0.00 174.74 171.59 2f18 s GLN 766 N 0.23 0.86 -0.19 2.88 0.74 0.33 -0.75 119.66 123.76 2f18 s GLN 766 Ca 0.06 -0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 2f18 s GLN 766 Cb -0.12 -0.83 0.01 0.00 1.10 0.00 0.00 33.01 33.18 2f18 s GLN 766 CO -0.01 0.21 -0.16 0.99 -0.55 0.00 0.00 175.29 175.78 2f18 s THR 767 N -0.18 2.41 -0.09 -0.34 2.01 0.17 -0.76 115.64 118.85 2f18 s THR 767 Ca 0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2f18 s THR 767 Cb -0.05 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2f18 s THR 767 CO -0.00 0.51 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.66 2f18 s ILE 768 N 1.34 2.99 -0.13 1.82 1.01 0.11 -1.29 121.20 127.05 2f18 s ILE 768 Ca 0.05 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2f18 s ILE 768 Cb -0.13 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2f18 s ILE 768 CO -0.10 0.56 -0.20 -0.04 0.00 0.00 0.00 174.94 175.15 2f18 s MET 769 N -0.15 2.79 -0.05 2.79 -1.94 0.43 -0.91 119.30 122.27 2f18 s MET 769 Ca -0.01 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.27 2f18 s MET 769 Cb -0.14 -2.26 0.11 0.00 2.01 0.00 0.00 34.83 34.55 2f18 s MET 769 CO 0.03 -0.01 1.01 0.54 -0.01 0.00 0.00 175.02 176.58 2f18 n ARG 770 N 4.05 1.78 0.00 2.03 1.74 -1.26 -1.46 116.66 123.54 2f18 n ARG 770 Ca -0.20 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 2f18 n ARG 770 Cb 0.52 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2f18 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f18 n GLY 771 N -0.77 2.02 0.00 -0.13 0.00 -1.26 -4.91 105.19 100.14 2f18 n GLY 771 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2f18 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f18 n GLY 772 N -0.38 5.44 3.76 -0.02 0.00 -1.26 -3.16 105.19 109.57 2f18 n GLY 772 Ca 0.00 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2f18 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f18 s ALA 773 N -2.00 3.68 0.82 4.61 0.00 -1.26 -4.60 121.76 123.01 2f18 s ALA 773 Ca 0.00 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 2f18 s ALA 773 Cb 0.00 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.58 2f18 s ALA 773 CO 0.00 -0.99 1.10 -1.25 0.00 0.00 0.00 175.76 174.62 2f18 s PRO 774 N -1.03 1.82 -0.11 0.00 0.04 -1.23 -4.76 135.00 129.75 2f18 s PRO 774 Ca 0.59 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 2f18 s PRO 774 Cb -0.47 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2f18 s PRO 774 CO 0.53 -1.93 -0.08 -2.00 0.04 0.00 0.00 177.00 173.56 2f18 s GLU 775 N -4.88 3.15 -0.10 4.56 2.12 -0.09 -1.75 118.70 121.73 2f18 s GLU 775 Ca 0.62 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 55.38 2f18 s GLU 775 Cb -0.18 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 2f18 s GLU 775 CO 0.57 0.44 -0.10 0.42 -0.54 0.00 0.00 175.26 176.04 2f18 s ILE 776 N -0.20 3.34 -0.06 -3.70 -1.09 -0.27 0.05 121.20 119.26 2f18 s ILE 776 Ca 0.02 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2f18 s ILE 776 Cb -0.13 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2f18 s ILE 776 CO 0.03 0.56 -0.16 -0.13 -1.23 0.00 0.00 174.94 174.01 2f18 s ARG 777 N -0.22 1.95 -0.19 2.79 0.52 0.06 -0.68 118.95 123.19 2f18 s ARG 777 Ca 0.02 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2f18 s ARG 777 Cb -0.13 -1.60 0.02 0.00 0.52 0.00 0.00 34.95 33.76 2f18 s ARG 777 CO 0.03 0.11 -0.18 -0.80 0.02 0.00 0.00 175.30 174.48 2f18 s ASN 778 N 0.43 3.29 -0.52 0.23 0.01 -0.12 -0.51 114.94 117.76 2f18 s ASN 778 Ca -0.12 -0.62 -0.19 0.00 -0.71 0.00 0.00 52.86 51.21 2f18 s ASN 778 Cb -0.15 -1.52 0.06 0.00 0.41 0.00 0.00 41.25 40.06 2f18 s ASN 778 CO 0.04 -0.00 0.66 -0.22 -1.51 0.00 0.00 177.10 176.07 2f18 s LEU 779 N 1.31 4.94 -0.30 0.60 2.96 -0.15 -0.56 118.68 127.48 2f18 s LEU 779 Ca 0.05 -0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 52.92 2f18 s LEU 779 Cb -0.13 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2f18 s LEU 779 CO -0.12 -0.94 0.19 -0.69 -1.32 0.00 0.00 176.35 173.47 2f18 s VAL 780 N 2.74 5.09 -0.40 1.68 1.01 0.60 -1.33 120.40 129.78 2f18 s VAL 780 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2f18 s VAL 780 Cb -0.19 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.81 2f18 s VAL 780 CO 0.12 0.15 0.21 -0.62 0.00 0.00 0.00 175.10 174.96 2f18 s ASP 781 N 1.71 3.65 0.00 3.32 2.15 -0.04 -1.98 116.67 125.49 2f18 s ASP 781 Ca 0.06 -2.39 0.11 0.00 0.43 0.00 0.00 52.55 50.76 2f18 s ASP 781 Cb -0.16 -0.94 0.51 0.00 -0.30 0.00 0.00 42.92 42.03 2f18 s ASP 781 CO 0.09 -0.30 1.32 0.00 -0.17 0.00 0.00 175.17 176.11 2f18 n ILE 782 N 3.84 1.04 -0.57 4.11 3.06 -1.26 -4.35 119.36 125.23 2f18 n ILE 782 Ca 0.07 0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.58 2f18 n ILE 782 Cb 0.36 -1.07 0.00 0.00 0.54 0.00 0.00 39.64 39.47 2f18 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2f18 n GLY 783 N -0.34 3.26 1.48 4.50 0.00 -1.26 -1.95 105.19 110.87 2f18 n GLY 783 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 2f18 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f18 n SER 784 N 3.51 3.61 -4.55 1.61 3.41 -1.26 -4.92 113.62 115.02 2f18 n SER 784 Ca 0.00 -3.43 -0.35 0.00 -0.26 0.00 0.00 58.87 54.82 2f18 n SER 784 Cb 0.00 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2f18 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2f18 s LEU 785 N -3.10 3.25 0.56 1.04 1.43 -0.82 -4.96 118.68 116.08 2f18 s LEU 785 Ca 0.49 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2f18 s LEU 785 Cb 0.41 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 2f18 s LEU 785 CO 0.07 -2.31 1.02 -1.81 0.23 0.00 0.00 176.35 173.55 2f18 s ASP 786 N 7.07 6.25 -1.36 2.29 1.01 -1.26 -3.74 116.67 126.92 2f18 s ASP 786 Ca 0.61 1.65 -0.01 0.00 0.71 0.00 0.00 52.55 55.51 2f18 s ASP 786 Cb -0.09 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 2f18 s ASP 786 CO 0.10 -0.85 0.53 0.59 0.21 0.00 0.00 175.17 175.74 2f18 n ASN 787 N -1.87 -0.83 -3.92 0.27 3.02 -0.10 -4.97 115.26 106.86 2f18 n ASN 787 Ca 0.07 -0.95 -0.16 0.00 -0.03 0.00 0.00 54.58 53.52 2f18 n ASN 787 Cb 0.54 -3.40 -0.15 0.00 -0.61 0.00 0.00 39.78 36.16 2f18 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2f18 s THR 788 N -3.84 0.33 -0.13 3.41 2.01 -0.57 -3.90 115.64 112.95 2f18 s THR 788 Ca 0.03 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2f18 s THR 788 Cb -0.01 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2f18 s THR 788 CO 0.86 0.11 -0.19 -1.61 -0.69 0.00 0.00 174.62 173.10 2f18 s GLU 789 N 0.15 2.70 -0.20 4.92 2.02 -0.14 -0.91 118.70 127.25 2f18 s GLU 789 Ca -0.01 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 2f18 s GLU 789 Cb -0.05 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2f18 s GLU 789 CO -0.00 -0.04 0.32 0.42 0.02 0.00 0.00 175.26 175.97 2f18 s ILE 790 N 0.90 5.26 0.02 -1.63 1.01 -0.48 -0.66 121.20 125.62 2f18 s ILE 790 Ca -0.06 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.21 2f18 s ILE 790 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2f18 s ILE 790 CO -0.02 0.31 -0.22 0.54 0.00 0.00 0.00 174.94 175.54 2f18 s VAL 791 N 1.04 2.47 -0.25 2.92 0.11 -0.25 -0.16 120.40 126.28 2f18 s VAL 791 Ca 0.16 -1.20 -0.08 0.00 -2.93 0.00 0.00 61.98 57.93 2f18 s VAL 791 Cb -0.14 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 2f18 s VAL 791 CO 0.06 0.41 0.08 -0.32 -3.33 0.00 0.00 175.10 172.00 2f18 s MET 792 N -1.16 3.69 0.06 1.54 1.75 -0.36 -1.26 119.30 123.55 2f18 s MET 792 Ca 0.12 -0.46 0.07 0.00 -1.25 0.00 0.00 55.69 54.18 2f18 s MET 792 Cb -0.10 -3.34 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 2f18 s MET 792 CO 0.03 -0.16 -0.18 0.50 -0.65 0.00 0.00 175.02 174.55 2f18 s ARG 793 N 1.56 2.00 -0.15 4.11 3.52 0.45 -0.79 118.95 129.65 2f18 s ARG 793 Ca 0.06 -1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 2f18 s ARG 793 Cb -0.15 -2.17 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2f18 s ARG 793 CO 0.04 0.53 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.44 2f18 s LEU 794 N -1.61 2.76 -0.15 -0.88 1.43 0.62 -0.88 118.68 119.96 2f18 s LEU 794 Ca 0.15 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2f18 s LEU 794 Cb -0.11 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2f18 s LEU 794 CO 0.06 0.12 -0.10 -1.61 0.23 0.00 0.00 176.35 175.05 2f18 s GLU 795 N 0.62 3.40 0.33 1.70 2.02 -0.08 -1.71 118.70 124.99 2f18 s GLU 795 Ca -0.06 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.32 2f18 s GLU 795 Cb -0.15 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 2f18 s GLU 795 CO 0.03 0.11 0.23 0.95 0.02 0.00 0.00 175.26 176.60 2f18 s THR 796 N 0.63 0.14 -2.34 3.63 -4.23 -0.36 -1.20 115.64 111.90 2f18 s THR 796 Ca -0.06 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.67 2f18 s THR 796 Cb -0.15 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.60 2f18 s THR 796 CO 0.03 0.00 1.35 1.41 -0.54 0.00 0.00 174.62 176.87 2f18 n HIS 797 N -0.65 0.44 -1.69 3.99 8.25 -1.26 -4.56 115.22 119.74 2f18 n HIS 797 Ca 0.04 -0.24 -0.44 0.00 -0.26 0.00 0.00 57.72 56.82 2f18 n HIS 797 Cb 0.63 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 2f18 n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2f18 n ILE 798 N 1.38 0.16 -2.27 1.59 5.41 -1.26 -4.83 119.36 119.53 2f18 n ILE 798 Ca 0.18 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.46 2f18 n ILE 798 Cb 0.58 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 2f18 n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2f18 n ASP 799 N 3.42 5.12 0.09 4.38 2.03 -1.26 -2.25 116.55 128.08 2f18 n ASP 799 Ca 0.15 -3.09 0.12 0.00 0.52 0.00 0.00 54.79 52.49 2f18 n ASP 799 Cb 0.32 -1.48 0.20 0.00 -0.72 0.00 0.00 41.12 39.44 2f18 n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2f18 h SER 800 N 5.71 0.00 0.00 1.67 4.64 -1.89 -3.41 113.55 120.27 2f18 h SER 800 Ca 0.42 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2f18 h SER 800 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2f18 h SER 800 CO 1.64 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 178.27 2f18 n GLY 801 N 1.28 3.41 0.54 -0.77 0.00 -1.26 -2.13 105.19 106.26 2f18 n GLY 801 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2f18 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f18 n ASP 802 N 9.08 2.88 -4.77 1.61 5.68 -1.26 -3.11 116.55 126.66 2f18 n ASP 802 Ca 0.00 -2.20 -0.36 0.00 -0.50 0.00 0.00 54.79 51.73 2f18 n ASP 802 Cb 0.00 -0.24 -0.08 0.00 -1.14 0.00 0.00 41.12 39.66 2f18 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2f18 s ILE 803 N -1.36 4.83 0.26 2.12 -1.09 -0.91 0.11 121.20 125.17 2f18 s ILE 803 Ca 0.22 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.42 2f18 s ILE 803 Cb 0.14 -3.08 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 2f18 s ILE 803 CO 0.11 0.59 0.57 0.72 -1.23 0.00 0.00 174.94 175.70 2f18 s PHE 804 N -0.97 0.19 -0.02 3.97 -0.71 -0.70 -4.72 117.98 115.03 2f18 s PHE 804 Ca 0.15 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 2f18 s PHE 804 Cb -0.12 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.06 2f18 s PHE 804 CO 0.04 -1.09 -0.11 0.71 -1.34 0.00 0.00 175.22 173.42 2f18 s TYR 805 N -3.92 1.06 0.09 3.49 1.51 -0.11 0.09 117.35 119.55 2f18 s TYR 805 Ca 0.19 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 2f18 s TYR 805 Cb -0.03 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2f18 s TYR 805 CO 0.09 -0.05 -0.07 0.95 -1.11 0.00 0.00 175.55 175.35 2f18 s THR 806 N -0.11 0.69 0.35 -0.71 -4.23 -0.96 -0.83 115.64 109.84 2f18 s THR 806 Ca 0.02 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2f18 s THR 806 Cb -0.06 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 2f18 s THR 806 CO -0.00 -0.78 0.54 1.51 -0.54 0.00 0.00 174.62 175.35 2f18 s ASP 807 N -2.79 6.21 -0.28 3.99 -4.77 -0.94 -0.54 116.67 117.55 2f18 s ASP 807 Ca 0.08 0.36 -0.02 0.00 -3.30 0.00 0.00 52.55 49.67 2f18 s ASP 807 Cb 0.03 -1.90 0.04 0.00 -1.09 0.00 0.00 42.92 39.99 2f18 s ASP 807 CO -0.04 -0.34 -0.02 -0.76 0.70 0.00 0.00 175.17 174.72 2f18 s LEU 808 N -4.31 3.67 -1.30 2.11 1.43 0.81 -4.35 118.68 116.75 2f18 s LEU 808 Ca 0.41 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2f18 s LEU 808 Cb -0.10 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2f18 s LEU 808 CO 0.35 -0.22 0.00 0.59 0.23 0.00 0.00 176.35 177.31 2f18 n ASN 809 N 4.65 -4.47 -0.20 2.29 4.13 -1.26 -0.83 115.26 119.57 2f18 n ASN 809 Ca -0.14 0.15 -0.03 0.00 1.68 0.00 0.00 54.58 56.24 2f18 n ASN 809 Cb 0.45 -3.79 -0.01 0.00 -1.54 0.00 0.00 39.78 34.88 2f18 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2f18 n GLY 810 N -0.82 0.47 0.08 7.41 0.00 -1.26 -0.49 105.19 110.57 2f18 n GLY 810 Ca -0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2f18 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2f18 n LEU 811 N -0.30 1.92 -3.60 0.99 7.94 -0.01 -4.91 117.00 119.04 2f18 n LEU 811 Ca -0.03 -0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.68 2f18 n LEU 811 Cb 0.29 -0.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.93 2f18 n LEU 811 CO 0.04 0.62 0.24 0.00 -1.11 0.00 0.00 177.39 177.17 2f18 s GLN 812 N -2.32 1.01 -0.15 1.96 -2.07 -1.18 -4.99 119.66 111.92 2f18 s GLN 812 Ca -0.17 -0.31 -0.05 0.00 -1.82 0.00 0.00 55.36 53.02 2f18 s GLN 812 Cb 0.05 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.39 2f18 s GLN 812 CO 0.43 -0.36 0.01 -0.06 -1.32 0.00 0.00 175.29 173.99 2f18 s PHE 813 N -2.57 3.15 -0.04 9.60 0.40 -1.25 -0.13 117.98 127.13 2f18 s PHE 813 Ca -0.05 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 2f18 s PHE 813 Cb -0.01 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2f18 s PHE 813 CO -0.03 0.18 -0.18 -1.50 0.70 0.00 0.00 175.22 174.39 2f18 s ILE 814 N 0.02 2.77 0.16 0.64 2.07 0.29 -1.88 121.20 125.26 2f18 s ILE 814 Ca 0.03 -0.83 -0.30 0.00 -1.41 0.00 0.00 60.65 58.13 2f18 s ILE 814 Cb -0.13 -2.05 -0.08 0.00 0.13 0.00 0.00 42.46 40.33 2f18 s ILE 814 CO 0.02 0.59 1.26 -0.75 -1.91 0.00 0.00 174.94 174.15 2f18 s LYS 815 N -0.68 4.42 0.06 3.50 2.20 -0.17 -2.26 119.74 126.81 2f18 s LYS 815 Ca 0.11 1.94 0.06 0.00 -0.36 0.00 0.00 55.97 57.72 2f18 s LYS 815 Cb -0.11 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2f18 s LYS 815 CO 0.00 -0.22 -0.13 1.03 -0.36 0.00 0.00 175.35 175.67 2f18 s ARG 816 N 0.22 2.19 -0.12 4.03 1.81 0.11 -4.97 118.95 122.22 2f18 s ARG 816 Ca 0.57 -0.95 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 2f18 s ARG 816 Cb -0.34 -2.30 0.02 0.00 -0.45 0.00 0.00 34.95 31.88 2f18 s ARG 816 CO 0.35 0.54 -0.14 0.50 -0.68 0.00 0.00 175.30 175.87 2f18 s ARG 817 N -1.74 2.15 0.13 3.54 3.52 -1.26 -1.72 118.95 123.58 2f18 s ARG 817 Ca 0.18 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 54.95 2f18 s ARG 817 Cb -0.11 -1.93 -0.09 0.00 -1.56 0.00 0.00 34.95 31.26 2f18 s ARG 817 CO 0.09 -0.16 1.51 0.50 -0.81 0.00 0.00 175.30 176.43 2f18 s ARG 818 N 1.27 4.25 -0.26 5.12 3.52 0.12 -4.98 118.95 127.98 2f18 s ARG 818 Ca -0.01 2.25 0.01 0.00 -0.13 0.00 0.00 55.73 57.85 2f18 s ARG 818 Cb -0.14 -3.24 0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2f18 s ARG 818 CO -0.06 -0.56 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.29 2f18 s LEU 819 N 1.29 3.45 0.17 -0.88 1.43 -1.26 -4.93 118.68 117.95 2f18 s LEU 819 Ca 0.68 -1.22 0.21 0.00 -1.03 0.00 0.00 54.13 52.77 2f18 s LEU 819 Cb -0.41 -1.61 0.87 0.00 0.03 0.00 0.00 46.19 45.07 2f18 s LEU 819 CO 0.31 -0.19 1.66 0.47 0.23 0.00 0.00 176.35 178.83 2f18 n ASP 820 N 4.54 0.46 0.00 2.29 8.00 -1.26 -1.65 116.55 128.93 2f18 n ASP 820 Ca -0.15 0.60 0.11 0.00 0.71 0.00 0.00 54.79 56.07 2f18 n ASP 820 Cb 0.44 -0.70 0.54 0.00 -0.02 0.00 0.00 41.12 41.37 2f18 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2f18 n LYS 821 N -1.99 0.14 -4.23 -1.24 2.85 -1.26 -4.73 118.16 107.70 2f18 n LYS 821 Ca 0.03 0.09 -0.25 0.00 -1.05 0.00 0.00 58.31 57.12 2f18 n LYS 821 Cb 0.24 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.04 2f18 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2f18 s LEU 822 N -2.82 3.29 0.80 -5.58 1.43 -0.66 -5.05 118.68 110.10 2f18 s LEU 822 Ca 0.16 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2f18 s LEU 822 Cb 0.15 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.55 2f18 s LEU 822 CO 0.40 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.96 2f18 s PRO 823 N -3.22 2.00 0.22 1.29 0.04 -1.26 -4.89 135.00 129.19 2f18 s PRO 823 Ca 0.29 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2f18 s PRO 823 Cb -0.08 -1.87 0.28 0.00 0.04 0.00 0.00 34.50 32.87 2f18 s PRO 823 CO 0.19 -1.80 1.61 1.25 0.04 0.00 0.00 177.00 178.30 2f18 h LEU 824 N -1.24 -0.64 -2.45 -3.56 6.46 -1.95 0.26 115.31 112.20 2f18 h LEU 824 Ca -0.45 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2f18 h LEU 824 Cb 1.24 0.43 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 2f18 h LEU 824 CO 0.52 -0.23 -0.03 0.06 -0.62 0.00 0.00 178.44 178.14 2f18 h GLN 825 N 0.00 0.00 0.00 1.25 -0.00 -1.92 -0.33 115.11 114.11 2f18 h GLN 825 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.99 2f18 h GLN 825 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2f18 h GLN 825 CO -0.72 0.03 -0.02 0.00 -0.00 0.00 0.00 178.83 178.12 2f18 h ALA 826 N 1.97 0.99 -0.06 0.06 0.00 -1.28 -3.03 119.26 117.92 2f18 h ALA 826 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f18 h ALA 826 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2f18 h ALA 826 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 2f18 n ASN 827 N -3.11 1.39 -4.77 0.00 3.02 -0.14 -4.59 115.26 107.07 2f18 n ASN 827 Ca 0.02 -1.52 -0.39 0.00 -0.03 0.00 0.00 54.58 52.66 2f18 n ASN 827 Cb 0.44 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 2f18 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2f18 s TYR 828 N -1.94 3.74 0.14 3.10 1.51 -1.14 -4.60 117.35 118.16 2f18 s TYR 828 Ca 0.37 1.32 0.04 0.00 -1.01 0.00 0.00 57.07 57.79 2f18 s TYR 828 Cb 0.20 -2.65 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 2f18 s TYR 828 CO 0.31 0.39 -0.09 0.71 -1.11 0.00 0.00 175.55 175.76 2f18 s TYR 829 N -0.43 1.21 0.34 2.71 2.02 -0.04 -4.68 117.35 118.47 2f18 s TYR 829 Ca 0.33 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 2f18 s TYR 829 Cb -0.19 -0.63 -0.10 0.00 -0.40 0.00 0.00 41.96 40.63 2f18 s TYR 829 CO 0.20 0.04 1.34 -2.14 -1.57 0.00 0.00 175.55 173.42 2f18 s PRO 830 N -3.77 4.31 -0.76 -1.71 0.02 -1.26 -1.71 135.00 130.12 2f18 s PRO 830 Ca 0.16 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.50 2f18 s PRO 830 Cb 0.03 -3.05 0.20 0.00 0.02 0.00 0.00 34.50 31.70 2f18 s PRO 830 CO -0.00 -0.26 0.65 -0.89 -0.33 0.00 0.00 177.00 176.17 2f18 n ILE 831 N 0.75 2.26 0.21 2.83 2.08 0.65 -4.51 119.36 123.62 2f18 n ILE 831 Ca 0.00 -5.03 0.08 0.00 0.56 0.00 0.00 62.75 58.36 2f18 n ILE 831 Cb 0.41 -2.22 0.42 0.00 -0.75 0.00 0.00 39.64 37.50 2f18 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2f18 h PRO 832 N 5.33 0.00 0.00 0.38 0.13 -1.79 -2.60 132.00 133.46 2f18 h PRO 832 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2f18 h PRO 832 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2f18 h PRO 832 CO 0.80 0.29 0.00 -1.13 -0.23 0.00 0.00 178.00 177.73 2f18 n SER 833 N -3.52 0.00 -3.60 1.44 3.41 -1.26 -3.88 113.62 106.21 2f18 n SER 833 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.61 2f18 n SER 833 Cb 0.45 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 2f18 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2f18 s GLY 834 N 0.00 -0.36 0.06 5.00 0.00 -1.26 -0.81 107.32 109.95 2f18 s GLY 834 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 44.72 45.93 2f18 s GLY 834 CO 0.00 0.39 0.44 -3.16 0.00 0.00 0.00 173.10 170.77 2f18 s MET 835 N -2.06 0.97 0.10 2.90 0.23 -0.51 -2.21 119.30 118.73 2f18 s MET 835 Ca 0.13 -0.38 -0.19 0.00 -1.03 0.00 0.00 55.69 54.23 2f18 s MET 835 Cb 0.03 0.44 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 2f18 s MET 835 CO -0.05 -0.35 0.45 -0.59 -2.03 0.00 0.00 175.02 172.46 2f18 s PHE 836 N -2.67 -0.30 0.10 3.16 -0.12 -0.01 -0.93 117.98 117.20 2f18 s PHE 836 Ca -0.04 0.11 0.06 0.00 -0.05 0.00 0.00 56.93 57.01 2f18 s PHE 836 Cb -0.00 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2f18 s PHE 836 CO -0.04 -0.69 -0.15 0.96 -0.05 0.00 0.00 175.22 175.25 2f18 s ILE 837 N -3.34 1.31 0.16 -4.49 -4.36 -0.65 -0.94 121.20 108.88 2f18 s ILE 837 Ca -0.00 -1.51 -0.19 0.00 -0.26 0.00 0.00 60.65 58.69 2f18 s ILE 837 Cb 0.01 -1.34 0.05 0.00 1.25 0.00 0.00 42.46 42.42 2f18 s ILE 837 CO -0.09 -0.27 0.51 -1.83 0.24 0.00 0.00 174.94 173.51 2f18 s GLU 838 N -2.13 1.23 0.00 0.37 -1.05 -1.26 -1.29 118.70 114.58 2f18 s GLU 838 Ca 0.04 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 2f18 s GLU 838 Cb -0.08 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2f18 s GLU 838 CO 0.03 -0.52 0.00 -0.40 0.95 0.00 0.00 175.26 175.32 2f18 n ASP 839 N -0.31 1.24 0.23 0.83 5.68 -0.25 -4.10 116.55 119.87 2f18 n ASP 839 Ca -0.15 -0.26 0.07 0.00 -0.50 0.00 0.00 54.79 53.95 2f18 n ASP 839 Cb 0.64 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.21 2f18 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2f18 h ALA 840 N 1.00 1.92 0.00 2.12 0.00 -1.98 -3.33 119.26 118.99 2f18 h ALA 840 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2f18 h ALA 840 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2f18 h ALA 840 CO 0.00 0.06 -1.41 0.09 0.00 0.00 0.00 179.25 177.99 2f18 n ASN 841 N -4.50 3.29 -4.11 0.00 3.02 -1.26 -3.55 115.26 108.16 2f18 n ASN 841 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.34 2f18 n ASN 841 Cb 0.11 0.99 -0.14 0.00 -0.61 0.00 0.00 39.78 40.14 2f18 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2f18 s THR 842 N -2.34 0.97 0.00 3.41 2.01 -1.25 -0.47 115.64 117.97 2f18 s THR 842 Ca -0.03 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2f18 s THR 842 Cb 0.03 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 2f18 s THR 842 CO 0.30 0.03 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.56 2f18 s ARG 843 N -0.92 0.82 -0.15 4.92 3.52 -0.09 -1.09 118.95 125.97 2f18 s ARG 843 Ca 0.01 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 2f18 s ARG 843 Cb -0.07 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.54 2f18 s ARG 843 CO 0.01 0.21 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.35 2f18 s LEU 844 N -0.45 1.98 -0.08 -0.88 2.96 -0.41 -1.00 118.68 120.81 2f18 s LEU 844 Ca 0.03 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2f18 s LEU 844 Cb -0.05 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 2f18 s LEU 844 CO -0.00 0.03 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.95 2f18 s THR 845 N 1.08 2.30 -0.27 3.68 2.01 0.18 -1.64 115.64 122.98 2f18 s THR 845 Ca -0.02 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2f18 s THR 845 Cb -0.14 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.53 2f18 s THR 845 CO -0.06 0.56 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.19 2f18 s LEU 846 N -0.03 3.54 0.07 4.42 2.96 -0.10 -0.63 118.68 128.90 2f18 s LEU 846 Ca -0.07 -1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 52.76 2f18 s LEU 846 Cb -0.15 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2f18 s LEU 846 CO 0.05 -0.19 0.31 -0.76 -1.32 0.00 0.00 176.35 174.44 2f18 s LEU 847 N 1.31 4.33 0.23 -0.68 2.01 -0.11 -1.42 118.68 124.34 2f18 s LEU 847 Ca -0.02 0.56 0.11 0.00 0.01 0.00 0.00 54.13 54.79 2f18 s LEU 847 Cb -0.18 -2.95 -0.05 0.00 0.01 0.00 0.00 46.19 43.02 2f18 s LEU 847 CO -0.02 0.17 -0.22 -0.89 1.01 0.00 0.00 176.35 176.39 2f18 s THR 848 N -1.45 2.37 -1.05 5.49 2.01 0.01 -1.55 115.64 121.46 2f18 s THR 848 Ca 0.33 -2.18 0.17 0.00 0.31 0.00 0.00 61.69 60.32 2f18 s THR 848 Cb -0.13 -2.18 0.60 0.00 0.01 0.00 0.00 72.50 70.80 2f18 s THR 848 CO 0.21 -0.25 1.52 0.61 -0.69 0.00 0.00 174.62 176.01 2f18 n GLY 849 N -0.10 2.91 3.56 4.40 0.00 -0.31 -4.65 105.19 111.00 2f18 n GLY 849 Ca -0.09 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2f18 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f18 s GLN 850 N -1.71 0.83 0.12 1.61 0.00 -1.26 -4.75 119.66 114.50 2f18 s GLN 850 Ca 0.44 0.32 -0.30 0.00 -0.00 0.00 0.00 55.36 55.82 2f18 s GLN 850 Cb 0.28 0.39 -0.06 0.00 0.00 0.00 0.00 33.01 33.62 2f18 s GLN 850 CO 0.22 -0.23 1.02 -1.25 0.00 0.00 0.00 175.29 175.04 2f18 s PRO 851 N -0.89 4.64 0.21 9.60 0.04 -1.25 -4.73 135.00 142.63 2f18 s PRO 851 Ca -0.06 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 2f18 s PRO 851 Cb -0.01 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2f18 s PRO 851 CO 0.05 0.13 0.24 -0.51 0.04 0.00 0.00 177.00 176.95 2f18 s LEU 852 N 0.02 0.92 0.26 -3.56 1.43 -0.98 -4.77 118.68 112.00 2f18 s LEU 852 Ca 0.49 -1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2f18 s LEU 852 Cb -0.25 0.86 -0.06 0.00 0.03 0.00 0.00 46.19 46.77 2f18 s LEU 852 CO 0.31 -0.93 0.55 -0.83 0.23 0.00 0.00 176.35 175.68 2f18 s GLY 853 N -3.09 2.06 0.24 -3.19 0.00 -0.99 -0.25 107.32 102.09 2f18 s GLY 853 Ca 0.31 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.40 2f18 s GLY 853 CO 0.09 -0.30 0.96 -0.32 0.00 0.00 0.00 173.10 173.53 2f18 s GLY 854 N -2.79 0.16 0.21 0.20 0.00 -0.69 -0.19 107.32 104.22 2f18 s GLY 854 Ca 0.45 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.58 2f18 s GLY 854 CO 0.26 1.53 0.88 -1.26 0.00 0.00 0.00 173.10 174.52 2f18 n SER 855 N -1.22 -1.70 -3.76 1.64 2.88 -0.40 -0.86 113.62 110.19 2f18 n SER 855 Ca -0.05 -1.98 -0.30 0.00 -1.33 0.00 0.00 58.87 55.22 2f18 n SER 855 Cb 0.60 2.79 -0.15 0.00 -0.75 0.00 0.00 64.21 66.69 2f18 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2f18 s SER 856 N -3.13 4.04 0.00 -3.46 0.15 -1.26 -0.74 113.70 109.29 2f18 s SER 856 Ca 0.19 -1.63 0.26 0.00 0.70 0.00 0.00 55.95 55.48 2f18 s SER 856 Cb -0.03 -0.92 0.78 0.00 -1.71 0.00 0.00 66.02 64.14 2f18 s SER 856 CO 0.06 -0.40 1.59 0.18 1.20 0.00 0.00 173.24 175.87 2f18 n LEU 857 N 4.81 0.59 -3.60 3.45 4.77 -1.26 -4.82 117.00 120.93 2f18 n LEU 857 Ca -0.02 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2f18 n LEU 857 Cb 0.42 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 2f18 n LEU 857 CO 0.12 0.12 0.25 0.00 -1.33 0.00 0.00 177.39 176.55 2f18 s ALA 858 N -2.77 -1.25 0.25 -1.18 0.00 -1.26 -5.09 121.76 110.46 2f18 s ALA 858 Ca 0.18 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 2f18 s ALA 858 Cb 0.19 0.35 -0.14 0.00 0.00 0.00 0.00 23.12 23.52 2f18 s ALA 858 CO 0.59 -0.48 1.23 0.45 0.00 0.00 0.00 175.76 177.55 2f18 n SER 859 N 0.47 2.05 0.00 0.00 2.88 -1.18 -1.28 113.62 116.56 2f18 n SER 859 Ca -0.18 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2f18 n SER 859 Cb 0.60 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2f18 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f18 n GLY 860 N 1.70 1.58 3.72 0.46 0.00 -0.95 -4.87 105.19 106.83 2f18 n GLY 860 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2f18 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f18 s GLU 861 N -0.18 2.66 0.03 1.61 2.02 -0.40 -1.22 118.70 123.20 2f18 s GLU 861 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.21 2f18 s GLU 861 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 2f18 s GLU 861 CO 0.00 0.54 -0.12 -0.51 0.02 0.00 0.00 175.26 175.19 2f18 s LEU 862 N -2.44 2.14 -0.04 1.80 1.43 -0.70 -4.49 118.68 116.39 2f18 s LEU 862 Ca 0.27 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 2f18 s LEU 862 Cb -0.12 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2f18 s LEU 862 CO 0.20 0.03 0.26 -1.83 0.23 0.00 0.00 176.35 175.24 2f18 s GLU 863 N -0.92 0.53 -0.02 1.70 -1.05 0.08 -0.28 118.70 118.73 2f18 s GLU 863 Ca 0.01 -0.06 -0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2f18 s GLU 863 Cb -0.07 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.89 2f18 s GLU 863 CO 0.01 -0.12 0.04 -1.50 0.95 0.00 0.00 175.26 174.63 2f18 s ILE 864 N -0.90 -0.06 0.26 1.83 2.07 0.03 -1.28 121.20 123.16 2f18 s ILE 864 Ca -0.10 0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 59.08 2f18 s ILE 864 Cb -0.05 -0.09 -0.09 0.00 0.13 0.00 0.00 42.46 42.36 2f18 s ILE 864 CO 0.02 0.09 1.17 -0.32 -1.91 0.00 0.00 174.94 173.99 2f18 s MET 865 N 1.14 4.55 -0.24 3.50 -2.45 0.74 -1.23 119.30 125.30 2f18 s MET 865 Ca -0.08 1.90 -0.09 0.00 -1.25 0.00 0.00 55.69 56.17 2f18 s MET 865 Cb -0.13 -3.18 -0.16 0.00 1.25 0.00 0.00 34.83 32.61 2f18 s MET 865 CO -0.03 0.05 -0.15 1.04 1.05 0.00 0.00 175.02 176.98 2f18 n GLN 866 N 1.50 0.63 -3.60 4.11 1.13 0.77 -4.46 117.38 117.46 2f18 n GLN 866 Ca 0.01 0.27 -0.08 0.00 -1.94 0.00 0.00 57.00 55.26 2f18 n GLN 866 Cb 0.44 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 2f18 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2f18 s ASP 867 N -7.03 -0.35 -0.08 1.08 -1.08 -1.22 -4.84 116.67 103.15 2f18 s ASP 867 Ca -0.34 -0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 51.43 2f18 s ASP 867 Cb 0.11 0.52 0.03 0.00 -1.46 0.00 0.00 42.92 42.11 2f18 s ASP 867 CO 0.57 -0.89 0.20 0.00 0.52 0.00 0.00 175.17 175.57 2f18 s ARG 868 N -3.44 0.21 -0.14 4.34 1.70 -1.26 -1.39 118.95 118.97 2f18 s ARG 868 Ca 0.07 0.32 -0.00 0.00 -0.47 0.00 0.00 55.73 55.65 2f18 s ARG 868 Cb -0.02 0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.43 2f18 s ARG 868 CO -0.05 -0.07 -0.07 0.50 -1.08 0.00 0.00 175.30 174.54 2f18 s ARG 869 N 0.42 1.51 -0.08 3.89 3.52 -0.08 -4.84 118.95 123.28 2f18 s ARG 869 Ca -0.03 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.21 2f18 s ARG 869 Cb -0.04 -1.80 0.02 0.00 -1.56 0.00 0.00 34.95 31.57 2f18 s ARG 869 CO -0.02 -0.34 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.50 2f18 s LEU 870 N 1.67 1.56 0.37 -0.88 1.43 -0.16 -0.92 118.68 121.75 2f18 s LEU 870 Ca 0.03 -0.31 0.20 0.00 -1.03 0.00 0.00 54.13 53.02 2f18 s LEU 870 Cb -0.14 -0.84 0.29 0.00 0.03 0.00 0.00 46.19 45.53 2f18 s LEU 870 CO -0.08 0.00 1.56 0.00 0.23 0.00 0.00 176.35 178.06 2f18 h ALA 871 N 7.24 0.86 -2.97 4.21 0.00 -1.88 0.23 119.26 126.94 2f18 h ALA 871 Ca -0.31 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 2f18 h ALA 871 Cb 1.17 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2f18 h ALA 871 CO 0.46 0.29 -0.57 -1.12 0.00 0.00 0.00 179.25 178.32 2f18 s SER 872 N -6.30 5.69 0.38 0.00 0.01 -1.26 -4.10 113.70 108.11 2f18 s SER 872 Ca 0.05 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 2f18 s SER 872 Cb 0.07 -1.56 -0.10 0.00 0.21 0.00 0.00 66.02 64.64 2f18 s SER 872 CO 0.70 0.14 1.00 -0.62 0.41 0.00 0.00 173.24 174.87 2f18 s ASP 873 N -2.66 6.95 -0.30 2.44 2.15 -1.26 -4.05 116.67 119.95 2f18 s ASP 873 Ca 0.31 1.93 0.10 0.00 0.43 0.00 0.00 52.55 55.31 2f18 s ASP 873 Cb -0.12 -2.58 0.57 0.00 -0.30 0.00 0.00 42.92 40.49 2f18 s ASP 873 CO 0.24 -0.35 1.57 -0.90 -0.17 0.00 0.00 175.17 175.56 2f18 n ASP 874 N 0.03 3.25 -1.60 -0.34 5.68 -1.26 -4.84 116.55 117.46 2f18 n ASP 874 Ca 0.04 -3.53 -0.16 0.00 -0.50 0.00 0.00 54.79 50.64 2f18 n ASP 874 Cb 0.50 -0.67 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 2f18 n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2f18 n GLU 875 N -0.89 -1.23 -0.17 0.11 1.02 -1.26 -4.85 120.64 113.36 2f18 n GLU 875 Ca 0.36 0.91 0.05 0.00 -0.02 0.00 0.00 57.16 58.46 2f18 n GLU 875 Cb 1.16 -5.22 0.14 0.00 -0.02 0.00 0.00 31.44 27.49 2f18 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2f18 n ARG 876 N -2.55 2.87 0.00 3.49 5.12 -1.26 -4.98 116.66 119.35 2f18 n ARG 876 Ca -0.18 -2.04 0.00 0.00 -1.93 0.00 0.00 57.85 53.70 2f18 n ARG 876 Cb 0.60 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 2f18 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f18 n GLY 877 N 0.20 1.21 0.29 -0.13 0.00 -1.26 -4.98 105.19 100.52 2f18 n GLY 877 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2f18 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2f18 h LEU 878 N 0.00 0.93 0.38 0.99 5.85 -1.94 -3.48 115.31 118.05 2f18 h LEU 878 Ca 0.00 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 2f18 h LEU 878 Cb 0.00 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2f18 h LEU 878 CO 0.00 1.04 -0.11 0.61 -0.34 0.00 0.00 178.44 179.64 2f18 n GLY 879 N -0.36 0.66 3.65 3.75 0.00 -1.26 -4.84 105.19 106.80 2f18 n GLY 879 Ca 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 2f18 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f18 s GLN 880 N -2.87 1.42 0.00 1.61 -2.07 -1.26 -4.99 119.66 111.49 2f18 s GLN 880 Ca 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 2f18 s GLN 880 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 2f18 s GLN 880 CO 0.00 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 173.74 2f18 n GLY 881 N -0.41 -0.14 3.01 2.60 0.00 -1.26 -4.05 105.19 104.94 2f18 n GLY 881 Ca -0.09 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 2f18 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f18 s VAL 882 N -0.00 2.62 -0.07 1.61 1.01 0.80 -4.89 120.40 121.47 2f18 s VAL 882 Ca 0.00 -2.74 0.11 0.00 0.00 0.00 0.00 61.98 59.35 2f18 s VAL 882 Cb 0.00 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.70 2f18 s VAL 882 CO 0.00 -0.71 1.07 0.18 0.00 0.00 0.00 175.10 175.64 2f18 n LEU 883 N 3.79 1.46 -1.31 3.92 4.77 -1.26 -0.99 117.00 127.38 2f18 n LEU 883 Ca 0.04 -2.22 -0.05 0.00 -0.03 0.00 0.00 56.01 53.75 2f18 n LEU 883 Cb 0.38 -0.25 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 2f18 n LEU 883 CO 0.29 0.52 0.80 -0.90 -1.33 0.00 0.00 177.39 176.76 2f18 n ASP 884 N -0.85 2.98 -4.68 -1.43 5.68 -1.26 -5.04 116.55 111.95 2f18 n ASP 884 Ca 0.09 -3.61 -0.38 0.00 -0.50 0.00 0.00 54.79 50.39 2f18 n ASP 884 Cb 0.63 -0.66 0.05 0.00 -1.14 0.00 0.00 41.12 40.01 2f18 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2f18 n ASN 885 N -0.99 1.64 -3.91 -1.12 3.02 -1.26 -5.04 115.26 107.60 2f18 n ASN 885 Ca 0.36 0.87 -0.10 0.00 -0.03 0.00 0.00 54.58 55.68 2f18 n ASN 885 Cb 1.12 -1.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 2f18 n ASN 885 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2f18 s LYS 886 N -2.90 0.64 0.26 3.52 -2.85 -1.26 -4.97 119.74 112.17 2f18 s LYS 886 Ca 0.76 -0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 54.67 2f18 s LYS 886 Cb -0.42 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 35.47 2f18 s LYS 886 CO 0.46 -0.17 1.36 -2.30 0.10 0.00 0.00 175.35 174.81 2f18 n PRO 887 N 0.67 2.00 -3.99 1.78 -0.02 -1.26 -4.81 135.00 129.37 2f18 n PRO 887 Ca -0.18 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2f18 n PRO 887 Cb 0.59 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 2f18 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2f18 s VAL 888 N -0.28 0.17 -0.52 -1.45 0.11 -0.83 -4.94 120.40 112.66 2f18 s VAL 888 Ca 0.66 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.37 2f18 s VAL 888 Cb -0.64 -0.17 0.11 0.00 -1.53 0.00 0.00 36.38 34.15 2f18 s VAL 888 CO 0.52 -0.00 0.50 -0.22 -3.33 0.00 0.00 175.10 172.57 2f18 s LEU 889 N -0.19 5.89 0.15 2.54 2.96 -1.26 -0.29 118.68 128.48 2f18 s LEU 889 Ca -0.01 -1.58 -0.21 0.00 -0.22 0.00 0.00 54.13 52.12 2f18 s LEU 889 Cb -0.02 -2.22 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 2f18 s LEU 889 CO -0.00 -0.82 0.68 -1.00 -1.32 0.00 0.00 176.35 173.88 2f18 s HIS 890 N 1.77 3.78 0.08 5.38 3.76 0.28 -4.91 115.29 125.43 2f18 s HIS 890 Ca 0.05 1.41 0.08 0.00 -0.15 0.00 0.00 55.06 56.45 2f18 s HIS 890 Cb -0.27 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 2f18 s HIS 890 CO 0.05 0.48 -0.20 0.96 -0.85 0.00 0.00 174.74 175.18 2f18 s ILE 891 N -1.26 1.65 0.15 0.60 -4.36 -1.26 -0.94 121.20 115.78 2f18 s ILE 891 Ca 0.36 -1.42 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 2f18 s ILE 891 Cb -0.20 -1.49 0.01 0.00 1.25 0.00 0.00 42.46 42.03 2f18 s ILE 891 CO 0.22 0.01 0.34 -0.31 0.24 0.00 0.00 174.94 175.44 2f18 s TYR 892 N -1.05 0.14 0.02 1.37 1.51 0.14 -1.17 117.35 118.31 2f18 s TYR 892 Ca 0.06 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2f18 s TYR 892 Cb -0.10 0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.83 2f18 s TYR 892 CO 0.03 -0.73 -0.19 1.03 -1.11 0.00 0.00 175.55 174.58 2f18 s ARG 893 N -3.90 1.38 -0.22 -0.62 1.81 -0.59 -1.11 118.95 115.69 2f18 s ARG 893 Ca 0.11 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.33 2f18 s ARG 893 Cb 0.02 -1.41 0.04 0.00 -0.45 0.00 0.00 34.95 33.15 2f18 s ARG 893 CO -0.05 0.37 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.62 2f18 s LEU 894 N -0.88 2.78 -0.29 2.53 2.96 -0.71 -0.94 118.68 124.13 2f18 s LEU 894 Ca 0.07 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 2f18 s LEU 894 Cb -0.08 -1.52 0.06 0.00 0.50 0.00 0.00 46.19 45.15 2f18 s LEU 894 CO 0.01 -0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.21 2f18 s VAL 895 N 1.21 2.48 -0.19 1.68 1.01 0.19 -3.52 120.40 123.26 2f18 s VAL 895 Ca -0.02 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 2f18 s VAL 895 Cb -0.16 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2f18 s VAL 895 CO -0.09 -0.13 0.23 -0.22 0.00 0.00 0.00 175.10 174.89 2f18 s LEU 896 N 1.13 4.20 0.04 3.92 2.96 -1.26 -0.64 118.68 129.02 2f18 s LEU 896 Ca -0.05 0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 2f18 s LEU 896 Cb -0.20 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 2f18 s LEU 896 CO -0.04 0.09 0.13 -1.61 -1.32 0.00 0.00 176.35 173.60 2f18 s GLU 897 N 0.66 0.64 -0.02 1.98 2.02 -0.17 -5.01 118.70 118.80 2f18 s GLU 897 Ca 0.13 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 54.15 2f18 s GLU 897 Cb -0.13 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 2f18 s GLU 897 CO 0.03 -0.17 0.68 0.15 0.02 0.00 0.00 175.26 175.97 2f18 s LYS 898 N -2.70 4.41 -0.01 1.61 -0.14 -1.26 -0.92 119.74 120.74 2f18 s LYS 898 Ca -0.04 0.87 0.02 0.00 -1.36 0.00 0.00 55.97 55.46 2f18 s LYS 898 Cb -0.01 -3.39 0.02 0.00 -1.68 0.00 0.00 37.83 32.78 2f18 s LYS 898 CO -0.05 0.23 0.86 1.33 -0.76 0.00 0.00 175.35 176.96 2f18 n VAL 899 N 3.15 0.73 0.30 3.17 0.24 0.38 -4.76 118.33 121.54 2f18 n VAL 899 Ca -0.04 -0.76 0.19 0.00 -2.04 0.00 0.00 64.34 61.69 2f18 n VAL 899 Cb 0.51 0.59 0.87 0.00 -1.47 0.00 0.00 33.84 34.35 2f18 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2f18 h ASN 900 N 0.00 0.00 -0.04 -1.34 -1.07 -1.60 -1.78 115.58 109.75 2f18 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2f18 h ASN 900 Cb 0.73 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.98 2f18 h ASN 900 CO 0.00 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.09 2f18 n ASN 901 N -2.97 2.45 -4.79 6.14 5.03 -1.26 -4.95 115.26 114.91 2f18 n ASN 901 Ca -0.01 -1.81 -0.37 0.00 0.87 0.00 0.00 54.58 53.26 2f18 n ASN 901 Cb 0.19 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.88 2f18 n ASN 901 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2f18 s VAL 903 N -1.53 4.11 0.28 0.00 1.01 0.45 -4.99 120.40 119.74 2f18 s VAL 903 Ca 0.47 0.50 0.07 0.00 0.00 0.00 0.00 61.98 63.02 2f18 s VAL 903 Cb -0.19 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.46 2f18 s VAL 903 CO 0.24 -1.37 0.22 -0.13 0.00 0.00 0.00 175.10 174.06 2f18 s ARG 904 N 4.68 2.81 0.80 2.72 0.52 -1.26 -4.42 118.95 124.80 2f18 s ARG 904 Ca 0.35 -1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2f18 s ARG 904 Cb -0.10 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 32.94 2f18 s ARG 904 CO 0.20 0.28 1.16 -2.14 0.02 0.00 0.00 175.30 174.82 2f18 s PRO 905 N -3.89 1.79 0.96 3.54 0.02 -1.26 -4.92 135.00 131.25 2f18 s PRO 905 Ca 0.36 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 2f18 s PRO 905 Cb -0.07 -1.81 0.17 0.00 0.02 0.00 0.00 34.50 32.80 2f18 s PRO 905 CO 0.25 -2.06 1.09 -1.54 -0.33 0.00 0.00 177.00 174.41 2f18 s SER 906 N -2.53 2.81 0.57 2.53 1.04 -1.26 -4.89 113.70 111.96 2f18 s SER 906 Ca 0.69 1.62 0.26 0.00 0.48 0.00 0.00 55.95 59.00 2f18 s SER 906 Cb -0.24 -2.27 1.55 0.00 0.10 0.00 0.00 66.02 65.16 2f18 s SER 906 CO 0.51 -3.07 2.08 0.11 0.98 0.00 0.00 173.24 173.85 2f18 h LYS 907 N -1.85 0.00 -0.01 4.02 1.57 -2.00 -1.40 116.57 116.90 2f18 h LYS 907 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2f18 h LYS 907 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2f18 h LYS 907 CO 0.51 0.00 -0.20 1.28 -0.57 0.00 0.00 179.45 180.48 2f18 n LEU 908 N -4.02 0.92 -4.73 2.94 4.77 -1.26 -4.89 117.00 110.72 2f18 n LEU 908 Ca 0.03 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 2f18 n LEU 908 Cb 0.35 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2f18 n LEU 908 CO 0.30 0.17 0.83 -2.28 -1.33 0.00 0.00 177.39 175.08 2f18 s HIS 909 N -2.45 3.53 -1.81 -1.77 2.46 -0.53 -4.94 115.29 109.78 2f18 s HIS 909 Ca 0.27 1.51 0.31 0.00 0.47 0.00 0.00 55.06 57.61 2f18 s HIS 909 Cb 0.20 -3.33 1.61 0.00 -0.13 0.00 0.00 32.58 30.92 2f18 s HIS 909 CO 0.49 -0.85 2.07 -0.35 -2.47 0.00 0.00 174.74 173.63 2f18 n PRO 910 N 2.71 0.83 -3.96 2.88 -0.05 -1.26 -4.89 135.00 131.25 2f18 n PRO 910 Ca 0.04 -0.12 -0.22 0.00 -0.05 0.00 0.00 63.50 63.16 2f18 n PRO 910 Cb 0.46 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.37 2f18 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2f18 s ALA 911 N -2.25 3.68 0.23 0.55 0.00 -1.26 -1.00 121.76 121.71 2f18 s ALA 911 Ca 0.38 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2f18 s ALA 911 Cb 0.21 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2f18 s ALA 911 CO 0.41 0.07 0.07 0.20 0.00 0.00 0.00 175.76 176.51 2f18 s GLY 912 N -3.92 1.59 0.01 0.00 0.00 -0.79 -4.74 107.32 99.47 2f18 s GLY 912 Ca 0.38 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 2f18 s GLY 912 CO 0.25 -1.57 0.02 -0.19 0.00 0.00 0.00 173.10 171.61 2f18 s TYR 913 N -3.73 0.12 0.64 1.90 2.02 -1.26 -3.97 117.35 113.08 2f18 s TYR 913 Ca 0.34 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.66 2f18 s TYR 913 Cb 0.07 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 2f18 s TYR 913 CO 0.11 -0.16 1.04 -0.51 -1.57 0.00 0.00 175.55 174.47 2f18 s LEU 914 N -0.99 3.25 0.69 -1.29 1.43 -1.26 -4.69 118.68 115.82 2f18 s LEU 914 Ca -0.11 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 54.50 2f18 s LEU 914 Cb -0.07 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.71 2f18 s LEU 914 CO -0.00 -1.16 1.00 0.42 0.23 0.00 0.00 176.35 176.84 2f18 s THR 915 N -2.97 2.51 0.17 5.49 -4.23 -1.26 -1.12 115.64 114.23 2f18 s THR 915 Ca 0.58 -0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 2f18 s THR 915 Cb -0.13 -3.08 0.06 0.00 1.34 0.00 0.00 72.50 70.69 2f18 s THR 915 CO 0.50 -0.09 1.73 -1.28 -0.54 0.00 0.00 174.62 174.94 2f18 h SER 916 N -0.55 0.02 -0.53 3.99 0.87 -1.94 -0.53 113.55 114.88 2f18 h SER 916 Ca -0.45 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2f18 h SER 916 Cb 1.31 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.33 2f18 h SER 916 CO 0.61 0.04 0.14 0.00 -0.53 0.00 0.00 176.83 177.09 2f18 h ALA 917 N 1.31 1.16 -0.20 6.23 0.00 -1.99 -0.28 119.26 125.50 2f18 h ALA 917 Ca 0.20 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2f18 h ALA 917 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2f18 h ALA 917 CO -0.26 0.57 -0.66 0.00 0.00 0.00 0.00 179.25 178.90 2f18 h ALA 918 N 1.30 0.45 -0.38 0.00 0.00 -1.85 -1.10 119.26 117.68 2f18 h ALA 918 Ca 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2f18 h ALA 918 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2f18 h ALA 918 CO -0.00 0.69 0.20 1.25 0.00 0.00 0.00 179.25 181.40 2f18 h HIS 919 N 0.54 0.52 -0.65 0.00 2.76 -0.84 -0.77 115.15 116.71 2f18 h HIS 919 Ca -0.02 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 2f18 h HIS 919 Cb 1.26 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.03 2f18 h HIS 919 CO 0.07 0.41 0.28 0.87 -1.30 0.00 0.00 177.93 178.26 2f18 h LYS 920 N 0.48 0.95 -0.84 5.26 1.57 -0.99 -0.94 116.57 122.06 2f18 h LYS 920 Ca 0.13 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2f18 h LYS 920 Cb 0.07 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2f18 h LYS 920 CO -0.02 0.76 0.40 0.00 -0.57 0.00 0.00 179.45 180.01 2f18 h ALA 921 N 1.37 1.08 -0.44 3.86 0.00 -0.87 -0.37 119.26 123.89 2f18 h ALA 921 Ca 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2f18 h ALA 921 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2f18 h ALA 921 CO -0.02 0.65 0.16 1.03 0.00 0.00 0.00 179.25 181.07 2f18 h SER 922 N 1.19 0.63 -0.58 0.00 0.87 -0.49 -2.42 113.55 112.75 2f18 h SER 922 Ca 0.29 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2f18 h SER 922 Cb 0.13 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2f18 h SER 922 CO -0.03 0.64 0.39 1.56 -0.53 0.00 0.00 176.83 178.85 2f18 h GLN 923 N 0.58 0.74 -0.39 2.24 4.20 -0.78 -0.70 115.11 120.99 2f18 h GLN 923 Ca 0.15 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2f18 h GLN 923 Cb 0.22 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2f18 h GLN 923 CO -0.01 0.49 0.12 0.77 -0.67 0.00 0.00 178.83 179.53 2f18 h SER 924 N 0.76 0.52 0.21 1.46 0.02 -0.61 0.81 113.55 116.72 2f18 h SER 924 Ca 0.22 -0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.81 2f18 h SER 924 Cb -0.05 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 62.39 2f18 h SER 924 CO -0.05 0.50 -1.31 -0.07 -1.14 0.00 0.00 176.83 174.76 2f18 h LEU 925 N 0.56 0.70 0.05 5.07 3.38 -0.93 -3.35 115.31 120.79 2f18 h LEU 925 Ca 0.13 -0.93 -0.30 0.00 0.09 0.00 0.00 57.88 56.87 2f18 h LEU 925 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2f18 h LEU 925 CO -0.01 1.62 -1.67 -0.07 0.09 0.00 0.00 178.44 178.41 2f18 h LEU 926 N -0.03 0.16 -5.93 1.67 3.38 -1.02 -3.41 115.31 110.14 2f18 h LEU 926 Ca -0.23 -0.30 -0.55 0.00 0.09 0.00 0.00 57.88 56.89 2f18 h LEU 926 Cb 2.00 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 42.29 2f18 h LEU 926 CO 0.22 1.26 -0.97 0.47 0.09 0.00 0.00 178.44 179.52 2f18 n ASP 927 N -3.24 1.66 -4.68 -0.43 8.00 0.26 -4.63 116.55 113.50 2f18 n ASP 927 Ca -0.18 -3.07 -0.29 0.00 0.71 0.00 0.00 54.79 51.95 2f18 n ASP 927 Cb 1.04 -0.63 0.16 0.00 -0.02 0.00 0.00 41.12 41.67 2f18 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2f18 s PRO 928 N -2.13 0.77 0.41 -0.24 0.04 -1.25 -4.72 135.00 127.88 2f18 s PRO 928 Ca 0.39 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 2f18 s PRO 928 Cb 0.24 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.92 2f18 s PRO 928 CO -0.09 -2.57 1.46 1.28 0.04 0.00 0.00 177.00 177.12 2f18 n LEU 929 N -4.11 4.93 -4.85 -3.56 4.77 -1.26 -4.76 117.00 108.16 2f18 n LEU 929 Ca 0.06 1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.87 2f18 n LEU 929 Cb 0.55 -1.61 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 2f18 n LEU 929 CO 0.56 0.01 0.15 -1.81 -1.33 0.00 0.00 177.39 174.97 2f18 s ASP 930 N -0.29 6.73 -0.08 -1.43 1.01 -0.32 -4.90 116.67 117.40 2f18 s ASP 930 Ca 0.57 0.94 0.05 0.00 0.71 0.00 0.00 52.55 54.81 2f18 s ASP 930 Cb -0.46 -2.23 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 2f18 s ASP 930 CO 0.61 0.14 -0.23 -0.54 0.21 0.00 0.00 175.17 175.36 2f18 s LYS 931 N -1.92 2.66 -0.06 8.23 1.02 -1.26 -0.95 119.74 127.46 2f18 s LYS 931 Ca 0.35 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.54 2f18 s LYS 931 Cb -0.14 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2f18 s LYS 931 CO 0.18 0.26 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.62 2f18 s PHE 932 N 0.11 2.00 -0.21 3.18 0.40 0.52 -0.93 117.98 123.05 2f18 s PHE 932 Ca -0.11 -0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 55.52 2f18 s PHE 932 Cb -0.16 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 2f18 s PHE 932 CO 0.06 -0.24 -0.01 0.42 0.70 0.00 0.00 175.22 176.15 2f18 s ILE 933 N 0.13 3.78 0.20 0.64 1.01 0.10 -1.17 121.20 125.89 2f18 s ILE 933 Ca -0.08 -0.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 2f18 s ILE 933 Cb -0.14 -2.72 -0.11 0.00 0.01 0.00 0.00 42.46 39.50 2f18 s ILE 933 CO 0.04 0.41 1.62 0.12 0.00 0.00 0.00 174.94 177.13 2f18 s PHE 934 N 1.27 2.97 0.05 3.97 5.36 -0.71 -1.43 117.98 129.46 2f18 s PHE 934 Ca 0.04 0.57 -0.12 0.00 -0.96 0.00 0.00 56.93 56.46 2f18 s PHE 934 Cb -0.15 -4.01 -0.31 0.00 -0.34 0.00 0.00 43.02 38.21 2f18 s PHE 934 CO 0.00 -3.70 1.07 0.00 -1.46 0.00 0.00 175.22 171.14 2f18 h ALA 935 N 6.47 -0.04 -1.87 11.12 0.00 -1.12 -3.46 119.26 130.36 2f18 h ALA 935 Ca -0.43 -0.85 -0.45 0.00 0.00 0.00 0.00 54.91 53.18 2f18 h ALA 935 Cb 1.21 0.11 0.15 0.00 0.00 0.00 0.00 17.79 19.25 2f18 h ALA 935 CO 0.91 0.79 0.36 -1.21 0.00 0.00 0.00 179.25 180.09 2f18 s GLU 936 N -2.71 0.87 0.11 0.00 2.02 -1.26 -5.01 118.70 112.72 2f18 s GLU 936 Ca -0.07 -0.57 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 2f18 s GLU 936 Cb 0.05 -1.95 -0.17 0.00 0.10 0.00 0.00 34.13 32.16 2f18 s GLU 936 CO 0.92 -2.20 1.24 -0.91 0.02 0.00 0.00 175.26 174.33 2f18 h ASN 937 N -1.40 0.42 -3.66 -0.19 2.35 -1.98 -3.45 115.58 107.68 2f18 h ASN 937 Ca -0.43 -0.40 -0.39 0.00 -0.55 0.00 0.00 56.30 54.53 2f18 h ASN 937 Cb 1.24 -0.13 -0.32 0.00 0.05 0.00 0.00 38.32 39.16 2f18 h ASN 937 CO 0.39 1.25 -0.77 -0.70 -1.65 0.00 0.00 177.43 175.94 2f18 s GLU 938 N -2.95 0.77 -0.54 0.81 2.12 -1.26 -4.96 118.70 112.69 2f18 s GLU 938 Ca -0.04 -0.18 -0.14 0.00 0.36 0.00 0.00 54.97 54.97 2f18 s GLU 938 Cb 0.08 -0.75 0.13 0.00 0.26 0.00 0.00 34.13 33.85 2f18 s GLU 938 CO 0.87 0.02 0.47 -0.46 -0.54 0.00 0.00 175.26 175.61 2f18 s TRP 939 N 0.48 3.33 0.11 5.30 -0.00 -1.26 -5.05 118.94 121.85 2f18 s TRP 939 Ca -0.06 -1.51 -0.30 0.00 -0.00 0.00 0.00 56.10 54.22 2f18 s TRP 939 Cb -0.10 -3.71 -0.06 0.00 -0.00 0.00 0.00 33.47 29.60 2f18 s TRP 939 CO 0.00 -1.01 1.08 0.42 -0.00 0.00 0.00 176.95 177.44 2f18 s ILE 940 N 1.44 4.16 0.00 5.86 1.01 -1.26 -3.24 121.20 129.16 2f18 s ILE 940 Ca 0.05 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2f18 s ILE 940 Cb -0.28 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2f18 s ILE 940 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2f18 n GLY 941 N 2.48 0.57 3.73 6.18 0.00 -1.26 -4.77 105.19 112.11 2f18 n GLY 941 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2f18 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f18 n ALA 942 N 0.51 1.81 -2.58 4.61 0.00 -1.20 -1.06 120.51 122.60 2f18 n ALA 942 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 2f18 n ALA 942 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.02 2f18 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2f18 s GLN 943 N -1.53 2.09 0.16 0.00 -0.21 0.23 -4.88 119.66 115.51 2f18 s GLN 943 Ca 0.58 -1.36 0.23 0.00 0.02 0.00 0.00 55.36 54.83 2f18 s GLN 943 Cb -0.54 -2.12 0.19 0.00 1.00 0.00 0.00 33.01 31.54 2f18 s GLN 943 CO 0.59 0.40 1.20 0.78 -2.12 0.00 0.00 175.29 176.14 2f18 h GLY 944 N 2.54 0.00 -3.99 3.09 0.00 -1.93 -3.43 103.07 99.35 2f18 h GLY 944 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2f18 h GLY 944 CO 0.56 0.00 0.26 1.62 0.00 0.00 0.00 176.54 178.99 2f18 s GLN 945 N -3.25 0.99 -0.00 4.80 0.74 -1.26 -1.30 119.66 120.37 2f18 s GLN 945 Ca 0.03 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.62 2f18 s GLN 945 Cb 0.12 0.46 -0.00 0.00 1.10 0.00 0.00 33.01 34.69 2f18 s GLN 945 CO 0.75 -0.32 -0.03 0.12 -0.55 0.00 0.00 175.29 175.26 2f18 s PHE 946 N -1.41 0.28 0.00 1.67 5.36 -0.39 -4.88 117.98 118.61 2f18 s PHE 946 Ca -0.08 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2f18 s PHE 946 Cb -0.00 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 2f18 s PHE 946 CO 0.06 -0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.22 2f18 n GLY 947 N 3.05 0.65 0.32 13.12 0.00 -1.26 -1.08 105.19 119.99 2f18 n GLY 947 Ca -0.13 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 45.86 2f18 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2f18 h GLY 948 N 0.00 0.00 -1.62 -0.02 0.00 -1.89 -0.18 103.07 99.35 2f18 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2f18 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 2f18 n ASP 949 N -3.60 2.66 -4.76 0.19 5.75 -1.26 -4.94 116.55 110.59 2f18 n ASP 949 Ca -0.02 -1.86 -0.40 0.00 -0.01 0.00 0.00 54.79 52.49 2f18 n ASP 949 Cb 0.13 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 2f18 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2f18 s HIS 950 N -1.75 3.47 0.39 2.11 3.76 -0.08 -4.98 115.29 118.21 2f18 s HIS 950 Ca 0.34 1.62 -0.27 0.00 -0.15 0.00 0.00 55.06 56.60 2f18 s HIS 950 Cb 0.21 -3.37 -0.10 0.00 1.11 0.00 0.00 32.58 30.43 2f18 s HIS 950 CO 0.30 -0.84 1.40 -2.14 -0.85 0.00 0.00 174.74 172.61 2f18 s PRO 951 N -1.37 4.03 -0.56 8.40 0.02 -1.26 -4.69 135.00 139.56 2f18 s PRO 951 Ca 0.46 2.38 -0.15 0.00 0.02 0.00 0.00 61.00 63.71 2f18 s PRO 951 Cb -0.33 -2.87 0.14 0.00 0.02 0.00 0.00 34.50 31.45 2f18 s PRO 951 CO 0.43 -0.52 0.51 0.45 -0.33 0.00 0.00 177.00 177.54 2f18 s SER 952 N -0.42 6.20 0.69 2.53 0.15 -1.26 -4.64 113.70 116.96 2f18 s SER 952 Ca 0.55 -1.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.21 2f18 s SER 952 Cb -0.43 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2f18 s SER 952 CO 0.57 -0.82 1.06 0.00 1.20 0.00 0.00 173.24 175.24 2f18 s ALA 953 N 1.45 2.69 0.44 5.45 0.00 0.43 -2.44 121.76 129.78 2f18 s ALA 953 Ca 0.05 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 2f18 s ALA 953 Cb -0.28 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 2f18 s ALA 953 CO 0.02 -1.21 0.81 2.89 0.00 0.00 0.00 175.76 178.26 2f18 n ARG 954 N -3.13 0.98 0.27 0.00 1.85 -1.26 -4.70 116.66 110.67 2f18 n ARG 954 Ca 0.07 0.35 0.14 0.00 -1.00 0.00 0.00 57.85 57.42 2f18 n ARG 954 Cb 0.54 -1.83 0.83 0.00 -1.05 0.00 0.00 32.46 30.94 2f18 n ARG 954 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2f18 h GLU 955 N 1.12 0.00 -0.01 2.89 4.11 -1.97 -0.85 114.58 119.88 2f18 h GLU 955 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2f18 h GLU 955 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2f18 h GLU 955 CO 0.54 0.00 -0.06 -0.40 0.07 0.00 0.00 179.01 179.16 2f18 n ASP 956 N -4.04 0.58 -4.75 3.06 5.75 -1.26 -4.84 116.55 111.04 2f18 n ASP 956 Ca -0.02 -0.89 -0.36 0.00 -0.01 0.00 0.00 54.79 53.51 2f18 n ASP 956 Cb 0.12 -0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 2f18 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2f18 s LEU 957 N -2.25 3.93 0.06 -2.12 2.96 -0.33 -1.29 118.68 119.64 2f18 s LEU 957 Ca 0.36 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 2f18 s LEU 957 Cb 0.21 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2f18 s LEU 957 CO 0.42 0.36 -0.12 -0.62 -1.32 0.00 0.00 176.35 175.06 2f18 s ASP 958 N -0.73 1.41 -0.85 3.68 2.15 0.04 -4.77 116.67 117.59 2f18 s ASP 958 Ca 0.12 -0.55 -0.16 0.00 0.43 0.00 0.00 52.55 52.39 2f18 s ASP 958 Cb -0.12 -0.04 0.18 0.00 -0.30 0.00 0.00 42.92 42.64 2f18 s ASP 958 CO 0.03 -0.09 0.91 -0.69 -0.17 0.00 0.00 175.17 175.16 2f18 s VAL 959 N -1.19 5.21 0.33 1.11 1.01 -1.26 -1.13 120.40 124.47 2f18 s VAL 959 Ca -0.03 -2.02 0.04 0.00 0.00 0.00 0.00 61.98 59.97 2f18 s VAL 959 Cb -0.09 -4.60 0.14 0.00 0.00 0.00 0.00 36.38 31.83 2f18 s VAL 959 CO 0.01 -1.23 1.84 0.28 0.00 0.00 0.00 175.10 176.01 2f18 h SER 960 N 8.29 0.48 -3.62 3.32 0.02 -1.27 -3.43 113.55 117.34 2f18 h SER 960 Ca 0.10 -0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2f18 h SER 960 Cb 1.04 -0.13 -0.31 0.00 0.14 0.00 0.00 62.40 63.14 2f18 h SER 960 CO 0.92 0.59 -0.73 -0.69 -1.14 0.00 0.00 176.83 175.78 2f18 s VAL 961 N -4.86 -0.00 -0.10 2.27 1.01 -1.11 -4.96 120.40 112.64 2f18 s VAL 961 Ca -0.07 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2f18 s VAL 961 Cb 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.49 2f18 s VAL 961 CO 0.77 0.05 -0.08 -0.32 0.00 0.00 0.00 175.10 175.53 2f18 s MET 962 N 0.56 1.48 -0.10 2.72 0.00 -1.26 -0.82 119.30 121.87 2f18 s MET 962 Ca -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 55.69 55.35 2f18 s MET 962 Cb -0.07 -1.50 0.05 0.00 0.00 0.00 0.00 34.83 33.31 2f18 s MET 962 CO -0.02 -0.22 0.18 0.50 0.00 0.00 0.00 175.02 175.47 2f18 s ARG 963 N 1.55 0.07 0.17 4.11 3.52 0.09 -3.25 118.95 125.20 2f18 s ARG 963 Ca 0.02 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 2f18 s ARG 963 Cb -0.13 -0.34 -0.08 0.00 -1.56 0.00 0.00 34.95 32.84 2f18 s ARG 963 CO -0.06 -0.34 1.28 0.50 -0.81 0.00 0.00 175.30 175.87 2f18 s ARG 964 N 2.32 4.41 0.00 5.12 3.52 -1.26 -0.32 118.95 132.74 2f18 s ARG 964 Ca 0.03 1.99 0.19 0.00 -0.13 0.00 0.00 55.73 57.80 2f18 s ARG 964 Cb -0.12 -3.23 -0.11 0.00 -1.56 0.00 0.00 34.95 29.93 2f18 s ARG 964 CO -0.07 -0.24 0.87 1.28 -0.81 0.00 0.00 175.30 176.33 2f18 n LEU 965 N 2.89 1.31 -4.40 -0.88 4.77 0.62 -4.91 117.00 116.39 2f18 n LEU 965 Ca 0.07 -0.62 -0.29 0.00 -0.03 0.00 0.00 56.01 55.13 2f18 n LEU 965 Cb 0.43 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 2f18 n LEU 965 CO 0.57 0.28 -0.55 0.42 -1.33 0.00 0.00 177.39 176.77 2f18 s THR 966 N -2.49 2.36 0.70 -5.08 -4.23 -1.23 -4.94 115.64 100.74 2f18 s THR 966 Ca 0.11 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 2f18 s THR 966 Cb 0.15 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 72.01 2f18 s THR 966 CO 0.63 0.17 1.03 -0.54 -0.54 0.00 0.00 174.62 175.37 2f18 s LYS 967 N -1.86 2.35 0.58 3.99 1.02 -1.26 -4.87 119.74 119.69 2f18 s LYS 967 Ca 0.14 -0.07 0.29 0.00 0.02 0.00 0.00 55.97 56.35 2f18 s LYS 967 Cb -0.10 -2.13 1.76 0.00 -0.52 0.00 0.00 37.83 36.84 2f18 s LYS 967 CO 0.06 -1.18 2.23 0.66 -0.92 0.00 0.00 175.35 176.20 2f18 h SER 968 N -0.61 0.00 0.99 2.83 4.64 -1.97 -2.56 113.55 116.88 2f18 h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2f18 h SER 968 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2f18 h SER 968 CO 0.62 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 2f18 n SER 969 N -3.85 0.59 -4.68 4.97 3.41 -1.26 -4.77 113.62 108.02 2f18 n SER 969 Ca -0.03 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 2f18 n SER 969 Cb 0.10 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 2f18 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f18 s ALA 970 N -3.18 3.62 0.23 7.33 0.00 -0.97 -4.91 121.76 123.88 2f18 s ALA 970 Ca 0.08 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 2f18 s ALA 970 Cb 0.11 -3.65 0.21 0.00 0.00 0.00 0.00 23.12 19.79 2f18 s ALA 970 CO 0.46 -1.08 1.90 -0.22 0.00 0.00 0.00 175.76 176.83 2f18 h LYS 971 N 8.32 1.17 -4.63 0.00 3.64 -1.91 -3.36 116.57 119.80 2f18 h LYS 971 Ca -0.39 -0.08 -0.70 0.00 -1.27 0.00 0.00 60.65 58.21 2f18 h LYS 971 Cb 1.18 -0.26 -0.26 0.00 -0.41 0.00 0.00 32.23 32.48 2f18 h LYS 971 CO 0.92 0.78 -0.55 0.99 -2.27 0.00 0.00 179.45 179.33 2f18 s THR 972 N -6.09 4.29 0.41 1.00 2.01 -1.26 -4.75 115.64 111.25 2f18 s THR 972 Ca -0.13 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 2f18 s THR 972 Cb 0.16 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 2f18 s THR 972 CO 0.80 -0.19 0.97 -1.10 -0.69 0.00 0.00 174.62 174.41 2f18 s GLN 973 N 1.50 4.24 -0.03 4.92 -1.52 -0.41 -4.82 119.66 123.54 2f18 s GLN 973 Ca 0.01 1.23 0.02 0.00 -1.95 0.00 0.00 55.36 54.68 2f18 s GLN 973 Cb -0.19 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 2f18 s GLN 973 CO 0.05 -0.03 -0.09 1.03 -0.25 0.00 0.00 175.29 176.00 2f18 s ARG 974 N -2.89 0.99 -0.06 2.91 0.52 -1.26 -0.57 118.95 118.58 2f18 s ARG 974 Ca 0.60 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 2f18 s ARG 974 Cb -0.13 -0.92 0.01 0.00 0.52 0.00 0.00 34.95 34.43 2f18 s ARG 974 CO 0.17 0.11 -0.14 0.08 0.02 0.00 0.00 175.30 175.55 2f18 s VAL 975 N 0.21 1.24 -0.07 3.52 1.01 -0.08 -0.28 120.40 125.96 2f18 s VAL 975 Ca -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2f18 s VAL 975 Cb -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2f18 s VAL 975 CO 0.01 0.38 0.12 -0.83 0.00 0.00 0.00 175.10 174.77 2f18 s GLY 976 N 0.55 2.09 -0.03 4.51 0.00 0.57 -0.90 107.32 114.11 2f18 s GLY 976 Ca -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.88 2f18 s GLY 976 CO 0.04 -0.54 -0.13 -0.19 0.00 0.00 0.00 173.10 172.29 2f18 s TYR 977 N -1.11 1.28 -0.20 1.90 1.51 0.60 -0.73 117.35 120.60 2f18 s TYR 977 Ca 0.19 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 2f18 s TYR 977 Cb -0.12 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2f18 s TYR 977 CO 0.09 -0.13 -0.02 0.08 -1.11 0.00 0.00 175.55 174.46 2f18 s VAL 978 N 0.13 3.76 -0.18 0.71 1.01 0.00 -0.97 120.40 124.87 2f18 s VAL 978 Ca -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2f18 s VAL 978 Cb -0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2f18 s VAL 978 CO 0.01 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.76 2f18 s LEU 979 N 1.02 3.18 -0.10 3.92 1.43 0.64 -0.69 118.68 128.08 2f18 s LEU 979 Ca 0.01 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2f18 s LEU 979 Cb -0.14 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2f18 s LEU 979 CO 0.01 0.10 -0.21 -2.28 0.23 0.00 0.00 176.35 174.20 2f18 s HIS 980 N 0.78 2.34 -0.17 0.29 5.65 -0.29 -1.21 115.29 122.69 2f18 s HIS 980 Ca -0.01 -0.97 -0.01 0.00 0.25 0.00 0.00 55.06 54.33 2f18 s HIS 980 Cb -0.14 -1.59 -0.00 0.00 -1.18 0.00 0.00 32.58 29.67 2f18 s HIS 980 CO 0.02 -0.41 -0.13 0.50 -0.65 0.00 0.00 174.74 174.08 2f18 s ARG 981 N 0.44 3.25 0.38 2.88 3.52 -0.62 -0.78 118.95 128.02 2f18 s ARG 981 Ca -0.17 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 54.67 2f18 s ARG 981 Cb -0.17 -2.72 0.08 0.00 -1.56 0.00 0.00 34.95 30.57 2f18 s ARG 981 CO 0.07 -0.05 0.52 -2.37 -0.81 0.00 0.00 175.30 172.66 2f18 n THR 982 N 4.27 0.00 -3.94 4.11 5.66 -0.41 -0.31 114.28 123.66 2f18 n THR 982 Ca -0.19 -0.55 -0.28 0.00 -3.05 0.00 0.00 64.05 59.98 2f18 n THR 982 Cb 0.51 -1.50 -0.17 0.00 -1.55 0.00 0.00 70.33 67.63 2f18 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2f18 s ASN 983 N -2.97 2.46 -0.02 1.09 2.47 -1.26 -3.60 114.94 113.11 2f18 s ASN 983 Ca 0.31 -0.43 -0.00 0.00 0.42 0.00 0.00 52.86 53.16 2f18 s ASN 983 Cb -0.01 -0.97 -0.04 0.00 -1.45 0.00 0.00 41.25 38.78 2f18 s ASN 983 CO 0.21 -0.11 0.05 -0.76 -3.72 0.00 0.00 177.10 172.78 2f18 s LEU 984 N 1.62 3.78 0.42 3.21 1.43 -1.26 -4.23 118.68 123.65 2f18 s LEU 984 Ca 0.04 0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.02 2f18 s LEU 984 Cb -0.13 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 2f18 s LEU 984 CO -0.09 0.30 1.24 -0.04 0.23 0.00 0.00 176.35 177.99 2f18 s MET 985 N -1.54 3.91 -0.31 1.70 -1.94 -0.28 -4.98 119.30 115.87 2f18 s MET 985 Ca 0.20 2.00 -0.26 0.00 -1.71 0.00 0.00 55.69 55.93 2f18 s MET 985 Cb -0.12 -2.65 0.01 0.00 2.01 0.00 0.00 34.83 34.08 2f18 s MET 985 CO 0.11 -0.49 0.91 -0.65 -0.01 0.00 0.00 175.02 174.89 2f18 s GLN 986 N -2.36 4.01 -0.06 2.03 -1.52 -1.26 -4.66 119.66 115.84 2f18 s GLN 986 Ca 0.59 0.80 0.09 0.00 -1.95 0.00 0.00 55.36 54.88 2f18 s GLN 986 Cb -0.34 -3.73 0.13 0.00 -0.22 0.00 0.00 33.01 28.85 2f18 s GLN 986 CO 0.43 -0.76 1.02 0.00 -0.25 0.00 0.00 175.29 175.74 2f18 n GLY 988 N -0.70 0.63 3.29 0.00 0.00 -1.26 -4.69 105.19 102.47 2f18 n GLY 988 Ca 0.07 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 2f18 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f18 s THR 989 N -2.00 5.18 0.00 2.61 2.01 -1.26 -4.99 115.64 117.19 2f18 s THR 989 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 2f18 s THR 989 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2f18 s THR 989 CO 0.00 -0.93 0.57 -2.65 -0.69 0.00 0.00 174.62 170.92 2f18 n PRO 990 N 4.58 0.00 -2.69 4.92 -0.02 -1.26 -4.92 135.00 135.61 2f18 n PRO 990 Ca -0.00 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 2f18 n PRO 990 Cb 0.43 -0.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 2f18 n PRO 990 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f18 n GLU 991 N -1.82 -3.92 0.00 -0.52 1.02 -1.26 -5.04 120.64 109.09 2f18 n GLU 991 Ca 0.00 3.04 0.00 0.00 -0.02 0.00 0.00 57.16 60.18 2f18 n GLU 991 Cb 0.00 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 2f18 n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2f18 n GLU 992 N 1.32 2.68 -2.32 3.49 -0.58 -1.26 -4.99 120.64 118.98 2f18 n GLU 992 Ca -0.22 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.38 2f18 n GLU 992 Cb 0.36 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.24 2f18 n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2f18 n HIS 993 N 0.00 -0.96 -4.34 -0.32 1.44 -1.26 -4.99 115.22 104.79 2f18 n HIS 993 Ca 0.00 0.40 -0.22 0.00 -2.01 0.00 0.00 57.72 55.89 2f18 n HIS 993 Cb 0.00 -0.80 -0.11 0.00 0.12 0.00 0.00 29.99 29.19 2f18 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2f18 s THR 994 N -1.16 1.87 0.09 0.61 -4.23 -1.26 -5.09 115.64 106.46 2f18 s THR 994 Ca 0.10 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 2f18 s THR 994 Cb -0.01 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 2f18 s THR 994 CO 0.34 -0.31 0.44 -1.10 -0.54 0.00 0.00 174.62 173.46 2f18 s GLN 995 N -2.82 3.83 0.26 3.99 -0.21 -1.02 -4.93 119.66 118.76 2f18 s GLN 995 Ca 0.16 0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.52 2f18 s GLN 995 Cb -0.06 -3.00 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 2f18 s GLN 995 CO 0.07 0.55 1.48 0.21 -2.12 0.00 0.00 175.29 175.48 2f18 s LYS 996 N -1.84 4.23 -0.29 2.91 2.20 -1.26 -4.14 119.74 121.55 2f18 s LYS 996 Ca 0.33 2.37 -0.09 0.00 -0.36 0.00 0.00 55.97 58.22 2f18 s LYS 996 Cb -0.14 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2f18 s LYS 996 CO 0.18 -0.47 0.14 -1.17 -0.36 0.00 0.00 175.35 173.67 2f18 s LEU 997 N -0.46 3.95 -0.42 5.43 2.96 -1.26 -4.86 118.68 124.01 2f18 s LEU 997 Ca 0.60 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2f18 s LEU 997 Cb -0.43 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.37 2f18 s LEU 997 CO 0.45 -0.14 0.21 -0.62 -1.32 0.00 0.00 176.35 174.93 2f18 s ASP 998 N 1.64 5.22 0.61 3.68 2.15 -1.26 -4.59 116.67 124.12 2f18 s ASP 998 Ca 0.05 -2.10 0.38 0.00 0.43 0.00 0.00 52.55 51.31 2f18 s ASP 998 Cb -0.16 -1.82 1.99 0.00 -0.30 0.00 0.00 42.92 42.62 2f18 s ASP 998 CO 0.06 -0.52 2.23 -0.37 -0.17 0.00 0.00 175.17 176.40 2f18 h VAL 999 N 6.30 0.15 0.00 1.11 -1.51 -1.96 -2.24 116.25 118.08 2f18 h VAL 999 Ca -0.12 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2f18 h VAL 999 Cb 1.04 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2f18 h VAL 999 CO 0.69 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 177.05 2f18 n HIS 1001N -2.29 0.66 0.16 0.00 8.25 -0.84 -4.49 115.22 116.67 2f18 n HIS 1001Ca 0.02 -0.54 0.01 0.00 -0.26 0.00 0.00 57.72 56.96 2f18 n HIS 1001Cb 0.25 -0.06 0.33 0.00 1.12 0.00 0.00 29.99 31.63 2f18 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2f18 h LEU 1002N 2.55 0.08 -9.39 2.41 3.38 -1.48 -3.42 115.31 109.44 2f18 h LEU 1002Ca 0.00 -0.03 -0.66 0.00 0.09 0.00 0.00 57.88 57.28 2f18 h LEU 1002Cb 0.89 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 2f18 h LEU 1002CO 0.03 0.43 -0.66 -0.76 0.09 0.00 0.00 178.44 177.57 2f18 s LEU 1003N -8.28 3.43 0.89 1.67 1.43 -1.26 -5.11 118.68 111.44 2f18 s LEU 1003Ca -0.03 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 2f18 s LEU 1003Cb 0.14 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.42 2f18 s LEU 1003CO 0.74 0.23 1.12 -2.16 0.23 0.00 0.00 176.35 176.50 2f18 s PRO 1004N -1.93 1.31 -1.37 1.29 0.04 -1.26 -4.22 135.00 128.87 2f18 s PRO 1004Ca 0.22 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 61.62 2f18 s PRO 1004Cb -0.12 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2f18 s PRO 1004CO 0.14 -2.11 1.14 0.09 0.04 0.00 0.00 177.00 176.30 2f18 n ASN 1005N -3.73 -5.72 -4.77 6.66 5.03 -1.26 -4.78 115.26 106.69 2f18 n ASN 1005Ca 0.06 -0.58 -0.40 0.00 0.87 0.00 0.00 54.58 54.53 2f18 n ASN 1005Cb 0.58 -4.88 -0.02 0.00 -1.02 0.00 0.00 39.78 34.44 2f18 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2f18 s VAL 1006N -3.33 2.82 -0.01 2.41 0.11 -1.26 -2.37 120.40 118.77 2f18 s VAL 1006Ca 0.54 0.82 0.01 0.00 -2.93 0.00 0.00 61.98 60.41 2f18 s VAL 1006Cb -0.24 -3.52 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 2f18 s VAL 1006CO 0.74 0.19 0.02 0.00 -3.33 0.00 0.00 175.10 172.72 2f18 n ALA 1007N 0.78 2.04 -3.56 1.54 0.00 1.00 -4.88 120.51 117.42 2f18 n ALA 1007Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2f18 n ALA 1007Cb 0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 2f18 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2f18 s ARG 1008N -1.78 0.82 -0.04 0.00 3.52 -1.17 -4.98 118.95 115.32 2f18 s ARG 1008Ca -0.00 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2f18 s ARG 1008Cb 0.00 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 2f18 s ARG 1008CO 0.03 -0.23 0.01 0.00 -0.81 0.00 0.00 175.30 174.30 2f18 s GLU 1010N 1.43 1.28 0.11 0.00 2.02 -0.42 -0.66 118.70 122.46 2f18 s GLU 1010Ca -0.04 -0.78 -0.24 0.00 0.02 0.00 0.00 54.97 53.93 2f18 s GLU 1010Cb -0.13 -1.31 -0.07 0.00 0.10 0.00 0.00 34.13 32.72 2f18 s GLU 1010CO -0.03 0.34 0.72 0.50 0.02 0.00 0.00 175.26 176.82 2f18 s ARG 1011N -0.90 4.47 0.29 1.61 3.52 0.08 -1.01 118.95 127.01 2f18 s ARG 1011Ca 0.06 1.03 0.02 0.00 -0.13 0.00 0.00 55.73 56.71 2f18 s ARG 1011Cb -0.08 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 2f18 s ARG 1011CO 0.01 0.51 0.08 0.95 -0.81 0.00 0.00 175.30 176.04 2f18 s THR 1012N -0.83 0.78 0.97 4.11 -4.23 -0.12 0.26 115.64 116.58 2f18 s THR 1012Ca 0.35 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 2f18 s THR 1012Cb -0.22 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.11 2f18 s THR 1012CO 0.24 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.84 2f18 s THR 1013N -3.58 2.18 -0.04 3.99 -4.23 -0.52 -3.90 115.64 109.55 2f18 s THR 1013Ca 0.37 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 61.23 2f18 s THR 1013Cb 0.08 -2.15 0.31 0.00 1.34 0.00 0.00 72.50 72.08 2f18 s THR 1013CO 0.14 -0.08 1.89 -0.07 -0.54 0.00 0.00 174.62 175.97 2f18 h LEU 1014N -2.00 0.00 -0.89 4.79 3.38 -1.71 0.61 115.31 119.50 2f18 h LEU 1014Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2f18 h LEU 1014Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2f18 h LEU 1014CO 0.45 0.00 -0.07 0.35 0.09 0.00 0.00 178.44 179.26 2f18 n THR 1015N -2.58 0.00 -1.05 0.22 -2.24 -1.26 -4.94 114.28 102.42 2f18 n THR 1015Ca -0.00 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2f18 n THR 1015Cb 0.15 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 2f18 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2f18 n PHE 1016N 0.01 0.00 0.76 4.78 3.72 0.21 -4.91 117.46 122.03 2f18 n PHE 1016Ca 0.17 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.69 2f18 n PHE 1016Cb 0.36 -1.39 0.26 0.00 -0.94 0.00 0.00 39.48 37.77 2f18 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2f18 n LEU 1017N -0.20 0.57 -3.81 4.37 4.77 -1.26 -4.83 117.00 116.61 2f18 n LEU 1017Ca -0.02 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 2f18 n LEU 1017Cb 0.33 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 2f18 n LEU 1017CO 0.03 0.00 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.15 2f18 s GLN 1018N -3.09 0.01 -0.10 3.23 0.74 -1.26 -5.02 119.66 114.17 2f18 s GLN 1018Ca 0.09 0.11 -0.28 0.00 0.05 0.00 0.00 55.36 55.33 2f18 s GLN 1018Cb 0.15 -0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 2f18 s GLN 1018CO 0.69 -0.11 0.92 -0.80 -0.55 0.00 0.00 175.29 175.44 2f18 s ASN 1019N 0.71 7.17 -0.10 6.67 0.01 -1.26 -1.44 114.94 126.70 2f18 s ASN 1019Ca -0.06 1.43 0.14 0.00 -0.71 0.00 0.00 52.86 53.66 2f18 s ASN 1019Cb -0.09 -2.52 -0.20 0.00 0.41 0.00 0.00 41.25 38.85 2f18 s ASN 1019CO -0.02 -0.36 0.16 0.18 -1.51 0.00 0.00 177.10 175.55 2f18 n LEU 1020N 4.70 0.00 -3.65 0.60 4.77 0.14 -4.96 117.00 118.60 2f18 n LEU 1020Ca 0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 2f18 n LEU 1020Cb 0.49 0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 2f18 n LEU 1020CO 0.51 0.23 0.33 -0.70 -1.33 0.00 0.00 177.39 176.43 2f18 s GLU 1021N -2.62 0.72 -0.24 3.23 2.12 -1.05 -4.96 118.70 115.91 2f18 s GLU 1021Ca -0.07 1.02 -0.15 0.00 0.36 0.00 0.00 54.97 56.13 2f18 s GLU 1021Cb 0.06 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2f18 s GLU 1021CO 0.62 -0.12 0.38 -1.58 -0.54 0.00 0.00 175.26 174.02 2f18 s HIS 1022N 0.90 3.30 -0.14 5.30 5.65 -1.26 -0.74 115.29 128.30 2f18 s HIS 1022Ca -0.04 0.50 -0.15 0.00 0.25 0.00 0.00 55.06 55.61 2f18 s HIS 1022Cb -0.05 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.75 2f18 s HIS 1022CO -0.08 -0.13 0.37 -0.51 -0.65 0.00 0.00 174.74 173.74 2f18 s LEU 1023N 1.74 4.26 0.29 8.88 1.43 0.16 -4.99 118.68 130.45 2f18 s LEU 1023Ca 0.17 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2f18 s LEU 1023Cb -0.15 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.46 2f18 s LEU 1023CO 0.09 0.07 1.57 -1.81 0.23 0.00 0.00 176.35 176.49 2f18 s ASP 1024N 0.50 6.41 0.00 2.29 1.01 -1.26 -1.73 116.67 123.88 2f18 s ASP 1024Ca 0.20 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.37 2f18 s ASP 1024Cb -0.14 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2f18 s ASP 1024CO 0.06 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.17 2f18 n GLY 1025N 2.16 0.30 2.87 0.21 0.00 -1.26 -2.49 105.19 106.98 2f18 n GLY 1025Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2f18 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2f18 n MET 1026N -1.21 -4.15 -4.31 1.61 2.81 -0.71 -4.97 117.12 106.19 2f18 n MET 1026Ca 0.00 0.95 -0.34 0.00 -1.81 0.00 0.00 57.70 56.50 2f18 n MET 1026Cb 0.18 -5.77 -0.13 0.00 -0.71 0.00 0.00 33.22 26.79 2f18 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2f18 s VAL 1027N -3.15 3.70 -0.40 2.03 1.01 -1.04 -4.62 120.40 117.92 2f18 s VAL 1027Ca 0.23 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2f18 s VAL 1027Cb -0.10 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2f18 s VAL 1027CO 0.28 0.47 0.59 0.00 0.00 0.00 0.00 175.10 176.45 2f18 s ALA 1028N 0.67 3.41 0.64 5.51 0.00 -1.26 -4.70 121.76 126.02 2f18 s ALA 1028Ca -0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2f18 s ALA 1028Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2f18 s ALA 1028CO 0.02 -1.55 1.13 -1.25 0.00 0.00 0.00 175.76 174.11 2f18 s PRO 1029N 2.62 2.83 0.69 0.00 0.05 -1.26 -4.45 135.00 135.49 2f18 s PRO 1029Ca 0.21 1.48 -0.11 0.00 0.05 0.00 0.00 61.00 62.62 2f18 s PRO 1029Cb -0.15 -1.95 0.01 0.00 0.05 0.00 0.00 34.50 32.46 2f18 s PRO 1029CO 0.16 -1.24 1.06 -1.21 0.05 0.00 0.00 177.00 175.83 2f18 s GLU 1030N -3.92 2.95 0.39 4.56 2.02 -1.26 -5.03 118.70 118.42 2f18 s GLU 1030Ca 0.69 0.97 0.03 0.00 0.02 0.00 0.00 54.97 56.68 2f18 s GLU 1030Cb -0.22 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 2f18 s GLU 1030CO 0.39 -1.09 0.58 0.14 0.02 0.00 0.00 175.26 175.30 2f18 s VAL 1031N -3.00 4.16 0.66 2.63 -7.23 -1.26 -5.11 120.40 111.25 2f18 s VAL 1031Ca 0.58 -0.69 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 2f18 s VAL 1031Cb -0.14 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 2f18 s VAL 1031CO 0.54 -0.29 1.05 0.00 -0.31 0.00 0.00 175.10 176.09 2f18 n PRO 1033N -2.94 2.30 -1.13 0.00 -0.02 -1.26 -1.30 135.00 130.65 2f18 n PRO 1033Ca 0.07 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.32 2f18 n PRO 1033Cb 0.54 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 2f18 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2f18 n MET 1034N 1.45 -1.04 -4.09 -0.52 2.81 0.58 -4.91 117.12 111.39 2f18 n MET 1034Ca 0.08 0.52 -0.26 0.00 -1.81 0.00 0.00 57.70 56.22 2f18 n MET 1034Cb 0.35 -4.43 -0.06 0.00 -0.71 0.00 0.00 33.22 28.37 2f18 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2f18 s GLU 1035N -1.82 2.85 -0.04 0.03 0.41 -0.42 -4.93 118.70 114.77 2f18 s GLU 1035Ca 0.00 -0.89 0.02 0.00 -0.41 0.00 0.00 54.97 53.69 2f18 s GLU 1035Cb 0.00 -2.62 0.01 0.00 -1.78 0.00 0.00 34.13 29.75 2f18 s GLU 1035CO 0.00 0.48 -0.06 0.99 -0.49 0.00 0.00 175.26 176.18 2f18 s THR 1036N -1.73 0.64 0.08 3.63 2.01 -1.26 -1.60 115.64 117.41 2f18 s THR 1036Ca 0.30 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2f18 s THR 1036Cb -0.10 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2f18 s THR 1036CO 0.23 0.23 -0.07 0.00 -0.69 0.00 0.00 174.62 174.32 2f18 s ALA 1037N 0.59 0.83 0.03 7.40 0.00 -0.35 -4.99 121.76 125.27 2f18 s ALA 1037Ca -0.09 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.78 2f18 s ALA 1037Cb -0.12 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2f18 s ALA 1037CO 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 175.76 175.36 2f18 s ALA 1038N -2.98 1.94 0.03 0.00 0.00 -1.25 -0.26 121.76 119.23 2f18 s ALA 1038Ca 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2f18 s ALA 1038Cb 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2f18 s ALA 1038CO -0.04 0.45 -0.09 0.71 0.00 0.00 0.00 175.76 176.80 2f18 s TYR 1039N -0.72 0.81 -0.13 0.00 2.02 -0.14 -0.95 117.35 118.24 2f18 s TYR 1039Ca 0.09 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 2f18 s TYR 1039Cb -0.09 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2f18 s TYR 1039CO 0.01 -0.02 -0.18 0.08 -1.57 0.00 0.00 175.55 173.87 2f18 s VAL 1040N -0.90 1.75 -0.12 0.71 1.01 -0.18 -0.30 120.40 122.38 2f18 s VAL 1040Ca -0.03 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2f18 s VAL 1040Cb -0.07 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2f18 s VAL 1040CO 0.01 0.49 0.15 -0.94 0.00 0.00 0.00 175.10 174.81 2f18 s SER 1041N 0.95 6.40 -0.08 3.32 1.04 -0.08 -1.30 113.70 123.96 2f18 s SER 1041Ca -0.06 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2f18 s SER 1041Cb -0.15 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2f18 s SER 1041CO -0.02 0.40 -0.10 -0.44 0.98 0.00 0.00 173.24 174.06 2f18 s SER 1042N -1.01 4.38 -0.04 7.02 0.01 0.25 -0.90 113.70 123.42 2f18 s SER 1042Ca 0.15 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2f18 s SER 1042Cb -0.12 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 64.96 2f18 s SER 1042CO 0.04 0.32 -0.10 -1.00 0.41 0.00 0.00 173.24 172.91 2f18 s HIS 1043N -0.57 1.14 -2.38 2.43 3.76 0.27 -0.00 115.29 119.93 2f18 s HIS 1043Ca 0.08 -0.32 0.29 0.00 -0.15 0.00 0.00 55.06 54.96 2f18 s HIS 1043Cb -0.12 -0.82 1.25 0.00 1.11 0.00 0.00 32.58 34.00 2f18 s HIS 1043CO 0.02 -0.15 1.86 -1.13 -0.85 0.00 0.00 174.74 174.49