#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f64 n HIS 4 N 0.00 -1.69 -2.04 1.57 -0.00 -1.26 -4.99 115.22 106.81 2f64 n HIS 4 Ca 0.00 0.58 -0.32 0.00 -0.00 0.00 0.00 57.72 57.98 2f64 n HIS 4 Cb 0.00 -3.52 0.00 0.00 -0.00 0.00 0.00 29.99 26.47 2f64 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f64 s HIS 5 N -3.77 3.31 0.34 4.41 0.09 -1.26 -5.02 115.29 113.39 2f64 s HIS 5 Ca 0.20 1.43 -0.29 0.00 -0.00 0.00 0.00 55.06 56.40 2f64 s HIS 5 Cb -0.08 -2.85 -0.11 0.00 -0.00 0.00 0.00 32.58 29.54 2f64 s HIS 5 CO 0.89 -0.79 1.53 -1.58 -0.00 0.00 0.00 174.74 174.79 2f64 s HIS 6 N -2.78 2.66 -0.14 1.40 5.04 -1.26 -5.01 115.29 115.20 2f64 s HIS 6 Ca 0.59 1.01 0.02 0.00 -1.54 0.00 0.00 55.06 55.14 2f64 s HIS 6 Cb -0.12 -4.04 0.01 0.00 0.04 0.00 0.00 32.58 28.47 2f64 s HIS 6 CO 0.42 -3.22 -0.21 -1.01 -2.34 0.00 0.00 174.74 168.38 2f64 s HIS 7 N -0.66 2.68 0.00 3.88 3.76 -1.26 -5.24 115.29 118.46 2f64 s HIS 7 Ca 0.57 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2f64 s HIS 7 Cb -0.47 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.40 2f64 s HIS 7 CO 0.57 -0.57 0.00 1.58 -0.85 0.00 0.00 174.74 175.47 2f64 n HIS 8 N 4.01 0.00 -4.37 1.40 -0.00 -1.26 -5.26 115.22 109.73 2f64 n HIS 8 Ca -0.20 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.77 2f64 n HIS 8 Cb 0.52 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.26 2f64 n HIS 8 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2f64 s ARG 10 N 0.02 1.03 -0.02 1.57 0.52 -1.26 -5.06 118.95 115.75 2f64 s ARG 10 Ca 0.00 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 2f64 s ARG 10 Cb 0.00 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.38 2f64 s ARG 10 CO 0.00 0.27 -0.03 0.15 0.02 0.00 0.00 175.30 175.71 2f64 s LYS 11 N -1.34 0.44 -0.09 3.54 1.02 -1.26 -4.47 119.74 117.57 2f64 s LYS 11 Ca 0.03 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 55.96 2f64 s LYS 11 Cb -0.09 -0.49 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2f64 s LYS 11 CO 0.02 -0.00 -0.16 0.42 -0.92 0.00 0.00 175.35 174.71 2f64 s ILE 12 N 0.41 1.51 -0.06 2.17 1.01 -1.26 -0.66 121.20 124.33 2f64 s ILE 12 Ca -0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 2f64 s ILE 12 Cb -0.08 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2f64 s ILE 12 CO -0.01 0.44 1.03 -0.47 0.00 0.00 0.00 174.94 175.93 2f64 s TYR 13 N 0.76 3.53 -0.99 3.97 5.04 -0.03 -0.43 117.35 129.19 2f64 s TYR 13 Ca -0.11 1.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.97 2f64 s TYR 13 Cb -0.16 -3.20 0.24 0.00 0.35 0.00 0.00 41.96 39.19 2f64 s TYR 13 CO 0.02 -0.31 1.00 0.42 -1.34 0.00 0.00 175.55 175.34 2f64 s ILE 14 N 1.67 5.71 0.07 3.14 -1.09 -0.11 -1.74 121.20 128.85 2f64 s ILE 14 Ca 0.51 -2.89 -0.19 0.00 -2.23 0.00 0.00 60.65 55.86 2f64 s ILE 14 Cb -0.20 -4.58 -0.07 0.00 -1.58 0.00 0.00 42.46 36.03 2f64 s ILE 14 CO 0.22 -1.17 0.55 0.00 -1.23 0.00 0.00 174.94 173.31 2f64 s ALA 15 N -0.28 3.60 0.00 9.38 0.00 -0.85 -4.39 121.76 129.22 2f64 s ALA 15 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2f64 s ALA 15 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2f64 s ALA 15 CO -0.08 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2f64 n GLY 16 N 1.67 3.48 0.15 0.00 0.00 -1.26 -0.79 105.19 108.44 2f64 n GLY 16 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2f64 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f64 n PRO 17 N -1.42 0.93 -0.13 1.61 -0.04 -1.26 -3.95 135.00 130.74 2f64 n PRO 17 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 2f64 n PRO 17 Cb 0.00 -1.14 0.57 0.00 -0.04 0.00 0.00 33.50 32.89 2f64 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f64 h ALA 18 N 2.59 2.29 -0.58 0.55 0.00 -1.95 -0.90 119.26 121.26 2f64 h ALA 18 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2f64 h ALA 18 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2f64 h ALA 18 CO 0.00 -0.49 0.51 -0.24 0.00 0.00 0.00 179.25 179.02 2f64 h VAL 19 N 0.27 0.48 -0.02 0.00 3.04 -1.91 -0.13 116.25 117.98 2f64 h VAL 19 Ca 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 2f64 h VAL 19 Cb 1.00 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2f64 h VAL 19 CO -0.09 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.96 2f64 n PHE 20 N -3.97 0.00 -1.28 3.17 3.72 -0.34 -4.29 117.46 114.47 2f64 n PHE 20 Ca 0.11 -0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 2f64 n PHE 20 Cb 0.73 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.38 2f64 n PHE 20 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2f64 s ASN 21 N -2.00 3.93 0.33 4.37 0.01 -0.13 -4.89 114.94 116.57 2f64 s ASN 21 Ca 0.38 2.33 0.11 0.00 -0.71 0.00 0.00 52.86 54.97 2f64 s ASN 21 Cb 0.21 -2.58 0.93 0.00 0.41 0.00 0.00 41.25 40.22 2f64 s ASN 21 CO 0.33 -2.44 1.72 -0.65 -1.51 0.00 0.00 177.10 174.56 2f64 h PRO 22 N -0.62 0.52 0.00 -0.60 0.11 -1.90 -3.37 132.00 126.13 2f64 h PRO 22 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2f64 h PRO 22 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2f64 h PRO 22 CO 0.48 0.34 -0.33 0.38 -0.21 0.00 0.00 178.00 178.67 2f64 h ASP 23 N 0.53 0.00 0.00 -2.05 2.03 -1.91 -3.50 116.42 111.51 2f64 h ASP 23 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 2f64 h ASP 23 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2f64 h ASP 23 CO -0.48 0.65 0.00 0.61 -1.03 0.00 0.00 179.24 178.99 2f64 n GLY 25 N 1.68 0.00 0.19 7.15 0.00 -0.79 -4.75 105.19 108.67 2f64 n GLY 25 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2f64 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f64 h ALA 26 N 0.00 0.32 -0.53 4.61 0.00 -1.94 0.19 119.26 121.91 2f64 h ALA 26 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2f64 h ALA 26 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f64 h ALA 26 CO 0.00 -0.44 0.20 0.66 0.00 0.00 0.00 179.25 179.67 2f64 h SER 27 N 0.00 0.74 0.22 0.00 4.64 -1.97 0.19 113.55 117.37 2f64 h SER 27 Ca 0.23 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2f64 h SER 27 Cb 0.35 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2f64 h SER 27 CO -0.49 0.72 -0.10 0.22 -0.87 0.00 0.00 176.83 176.30 2f64 h TYR 28 N 0.72 -0.27 -0.35 4.77 3.20 -1.80 -2.60 116.97 120.64 2f64 h TYR 28 Ca 0.18 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2f64 h TYR 28 Cb 0.21 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2f64 h TYR 28 CO 0.01 -0.03 0.02 1.88 -1.64 0.00 0.00 178.16 178.40 2f64 h TYR 29 N -0.48 0.56 -0.67 -3.82 0.05 -0.52 -1.62 116.97 110.48 2f64 h TYR 29 Ca -0.03 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 2f64 h TYR 29 Cb 0.36 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 2f64 h TYR 29 CO -0.01 0.54 0.17 -0.91 -1.05 0.00 0.00 178.16 176.90 2f64 h ASN 30 N 0.52 1.00 -0.54 3.88 2.35 -0.58 0.15 115.58 122.36 2f64 h ASN 30 Ca 0.11 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 2f64 h ASN 30 Cb 0.31 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2f64 h ASN 30 CO 0.01 0.97 0.21 0.11 -1.65 0.00 0.00 177.43 177.08 2f64 h LYS 31 N 0.99 0.81 -0.20 0.81 1.57 -1.05 -1.37 116.57 118.11 2f64 h LYS 31 Ca 0.21 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2f64 h LYS 31 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2f64 h LYS 31 CO -0.00 0.70 0.13 0.28 -0.57 0.00 0.00 179.45 179.99 2f64 h VAL 32 N 0.73 1.07 -0.52 0.50 2.07 -1.03 -1.56 116.25 117.50 2f64 h VAL 32 Ca 0.18 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.61 2f64 h VAL 32 Cb 0.20 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2f64 h VAL 32 CO -0.01 0.06 0.25 0.03 0.02 0.00 0.00 177.57 177.92 2f64 h ARG 33 N 0.26 0.47 -0.56 1.57 3.08 -0.51 -1.21 114.38 117.48 2f64 h ARG 33 Ca 0.07 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2f64 h ARG 33 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2f64 h ARG 33 CO -0.01 0.31 0.08 1.49 -1.07 0.00 0.00 179.97 180.77 2f64 h GLU 34 N 0.48 0.93 -0.36 0.04 4.81 -1.06 -1.24 114.58 118.18 2f64 h GLU 34 Ca 0.24 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2f64 h GLU 34 Cb 0.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2f64 h GLU 34 CO -0.19 0.90 -0.01 1.25 -0.73 0.00 0.00 179.01 180.23 2f64 h LEU 35 N 0.82 0.63 -0.36 1.64 5.85 -0.98 -3.22 115.31 119.68 2f64 h LEU 35 Ca 0.17 -0.31 -0.19 0.00 0.84 0.00 0.00 57.88 58.38 2f64 h LEU 35 Cb 0.42 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2f64 h LEU 35 CO 0.01 0.79 -0.79 -0.07 -0.34 0.00 0.00 178.44 178.04 2f64 h LEU 36 N 0.45 0.38 -1.17 2.25 4.07 -1.18 -3.21 115.31 116.90 2f64 h LEU 36 Ca 0.10 -0.27 0.14 0.00 0.08 0.00 0.00 57.88 57.93 2f64 h LEU 36 Cb 0.48 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 42.02 2f64 h LEU 36 CO 0.02 1.03 0.60 0.50 -1.08 0.00 0.00 178.44 179.51 2f64 h LYS 37 N 0.20 0.77 0.00 1.13 1.63 -1.24 -0.98 116.57 118.07 2f64 h LYS 37 Ca -0.04 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2f64 h LYS 37 Cb 1.39 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2f64 h LYS 37 CO 0.13 0.51 -0.06 0.87 -3.45 0.00 0.00 179.45 177.45 2f64 h LYS 38 N 0.79 0.00 -0.46 1.90 1.57 -1.60 -2.46 116.57 116.30 2f64 h LYS 38 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2f64 h LYS 38 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2f64 h LYS 38 CO -0.25 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.08 2f64 n GLU 39 N -3.99 2.87 -3.61 3.15 -0.58 -0.43 -4.97 120.64 113.08 2f64 n GLU 39 Ca -0.03 -2.28 -0.26 0.00 -0.42 0.00 0.00 57.16 54.18 2f64 n GLU 39 Cb 0.14 -1.39 0.05 0.00 -0.57 0.00 0.00 31.44 29.67 2f64 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f64 n ASN 40 N 0.81 -5.80 0.00 1.62 5.15 -0.93 -5.00 115.26 111.11 2f64 n ASN 40 Ca 0.16 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 2f64 n ASN 40 Cb 0.51 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 2f64 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f64 n VAL 41 N -4.81 0.00 -3.89 3.44 0.31 -0.86 -4.17 118.33 108.35 2f64 n VAL 41 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2f64 n VAL 41 Cb 0.56 -0.06 -0.16 0.00 -0.91 0.00 0.00 33.84 33.27 2f64 n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f64 s PRO 43 N 3.22 0.15 -0.44 5.55 0.04 -1.26 -4.13 135.00 138.13 2f64 s PRO 43 Ca 0.00 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 2f64 s PRO 43 Cb 0.00 -0.31 0.07 0.00 0.04 0.00 0.00 34.50 34.29 2f64 s PRO 43 CO 0.00 -0.10 0.31 -0.51 0.04 0.00 0.00 177.00 176.74 2f64 s LEU 44 N 0.76 5.29 -0.16 -3.56 1.43 0.43 -4.91 118.68 117.96 2f64 s LEU 44 Ca -0.07 -1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 51.64 2f64 s LEU 44 Cb -0.10 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2f64 s LEU 44 CO -0.02 -0.56 -0.00 -0.63 0.23 0.00 0.00 176.35 175.37 2f64 s ILE 45 N 1.54 4.23 0.51 -0.59 1.01 -1.26 -0.94 121.20 125.71 2f64 s ILE 45 Ca 0.03 -0.24 0.32 0.00 0.00 0.00 0.00 60.65 60.76 2f64 s ILE 45 Cb -0.23 -2.87 0.50 0.00 0.01 0.00 0.00 42.46 39.87 2f64 s ILE 45 CO 0.05 0.49 1.83 -0.65 0.00 0.00 0.00 174.94 176.66 2f64 h PRO 46 N 6.57 0.08 -0.08 2.79 0.11 -1.98 0.04 132.00 139.52 2f64 h PRO 46 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2f64 h PRO 46 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2f64 h PRO 46 CO 0.65 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 2f64 n THR 47 N -4.29 0.09 -1.77 -1.15 -2.24 -1.26 -4.89 114.28 98.76 2f64 n THR 47 Ca 0.23 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2f64 n THR 47 Cb 1.08 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 2f64 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2f64 s ASP 48 N -1.83 6.40 -1.48 3.42 1.01 -0.00 -3.06 116.67 121.12 2f64 s ASP 48 Ca 0.36 2.86 -0.03 0.00 0.71 0.00 0.00 52.55 56.45 2f64 s ASP 48 Cb 0.20 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.54 2f64 s ASP 48 CO 0.31 -0.94 0.37 0.59 0.21 0.00 0.00 175.17 175.71 2f64 n ASN 49 N 3.52 -0.41 -4.73 0.27 4.13 -1.26 -4.78 115.26 112.00 2f64 n ASN 49 Ca 0.14 -1.07 -0.42 0.00 1.68 0.00 0.00 54.58 54.91 2f64 n ASN 49 Cb 0.36 -2.66 -0.03 0.00 -1.54 0.00 0.00 39.78 35.91 2f64 n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f64 s GLU 50 N -6.80 4.27 0.83 3.52 2.12 -1.17 -5.01 118.70 116.45 2f64 s GLU 50 Ca 0.11 2.25 -0.11 0.00 0.36 0.00 0.00 54.97 57.58 2f64 s GLU 50 Cb -0.06 -3.16 0.13 0.00 0.26 0.00 0.00 34.13 31.29 2f64 s GLU 50 CO 0.92 -0.48 1.17 0.00 -0.54 0.00 0.00 175.26 176.34 2f64 s ALA 51 N 0.67 2.74 -0.12 6.30 0.00 -1.26 -5.03 121.76 125.06 2f64 s ALA 51 Ca 0.64 -1.06 0.20 0.00 0.00 0.00 0.00 51.96 51.74 2f64 s ALA 51 Cb -0.41 -2.69 -0.26 0.00 0.00 0.00 0.00 23.12 19.76 2f64 s ALA 51 CO 0.36 -1.85 0.39 0.25 0.00 0.00 0.00 175.76 174.90 2f64 n THR 52 N -3.34 0.74 -3.61 0.00 -2.24 -1.26 -4.83 114.28 99.74 2f64 n THR 52 Ca 0.12 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.85 2f64 n THR 52 Cb 0.60 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2f64 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f64 s GLU 53 N -3.02 3.90 0.18 -0.78 2.02 -1.26 -5.01 118.70 114.72 2f64 s GLU 53 Ca -0.08 0.17 -0.17 0.00 0.02 0.00 0.00 54.97 54.91 2f64 s GLU 53 Cb 0.10 -3.28 0.13 0.00 0.10 0.00 0.00 34.13 31.18 2f64 s GLU 53 CO 0.86 0.57 1.65 0.00 0.02 0.00 0.00 175.26 178.36 2f64 h ALA 54 N 5.41 0.26 -0.31 5.21 0.00 -2.00 -1.90 119.26 125.93 2f64 h ALA 54 Ca -0.49 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2f64 h ALA 54 Cb 1.20 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2f64 h ALA 54 CO 0.65 -0.47 0.11 -0.07 0.00 0.00 0.00 179.25 179.47 2f64 h LEU 55 N -0.03 0.40 -0.19 0.00 3.38 -1.99 -0.39 115.31 116.48 2f64 h LEU 55 Ca 0.22 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2f64 h LEU 55 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2f64 h LEU 55 CO -0.49 0.37 -0.35 0.44 0.09 0.00 0.00 178.44 178.50 2f64 h ASP 56 N 0.44 0.65 -0.42 -0.43 3.32 -1.80 -0.90 116.42 117.28 2f64 h ASP 56 Ca 0.11 -0.54 0.02 0.00 0.02 0.00 0.00 57.03 56.64 2f64 h ASP 56 Cb 0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2f64 h ASP 56 CO -0.01 1.07 0.24 0.40 -1.72 0.00 0.00 179.24 179.22 2f64 h ILE 57 N 0.25 1.03 -0.04 0.35 2.04 -0.97 -0.87 117.51 119.30 2f64 h ILE 57 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2f64 h ILE 57 Cb 0.95 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2f64 h ILE 57 CO 0.08 0.09 0.02 -0.09 0.00 0.00 0.00 178.15 178.24 2f64 h ARG 58 N 0.48 0.04 -0.66 2.37 2.43 -1.04 -1.92 114.38 116.08 2f64 h ARG 58 Ca 0.17 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2f64 h ARG 58 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2f64 h ARG 58 CO -0.08 0.03 0.18 0.37 -1.51 0.00 0.00 179.97 178.95 2f64 h GLN 59 N 0.04 1.02 -0.54 0.20 5.75 -0.95 -0.79 115.11 119.84 2f64 h GLN 59 Ca 0.02 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 2f64 h GLN 59 Cb 0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2f64 h GLN 59 CO -0.02 0.89 0.04 0.87 -2.65 0.00 0.00 178.83 177.97 2f64 h LYS 60 N 0.98 0.90 -0.41 1.69 1.79 -1.07 -0.82 116.57 119.63 2f64 h LYS 60 Ca 0.21 -0.24 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2f64 h LYS 60 Cb 0.31 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2f64 h LYS 60 CO -0.00 0.86 -0.22 -0.91 -1.08 0.00 0.00 179.45 178.09 2f64 h ASN 61 N 0.84 0.91 -0.96 0.86 2.35 -0.78 -2.92 115.58 115.88 2f64 h ASN 61 Ca 0.17 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2f64 h ASN 61 Cb 0.44 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 2f64 h ASN 61 CO 0.02 1.12 0.60 0.40 -1.65 0.00 0.00 177.43 177.92 2f64 h ILE 62 N 0.69 1.26 0.00 2.81 2.04 -1.00 -2.05 117.51 121.26 2f64 h ILE 62 Ca 0.09 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2f64 h ILE 62 Cb 0.79 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2f64 h ILE 62 CO 0.07 0.26 0.00 1.67 0.00 0.00 0.00 178.15 180.14 2f64 n GLN 63 N -4.38 0.25 0.00 2.37 -0.06 -0.33 -1.19 117.38 114.05 2f64 n GLN 63 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2f64 n GLN 63 Cb 0.04 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 2f64 n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f64 n ILE 65 N 1.07 0.00 -0.21 1.69 5.41 -0.77 -0.70 119.36 125.84 2f64 n ILE 65 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2f64 n ILE 65 Cb 0.13 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.37 2f64 n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f64 h LYS 66 N 0.00 0.82 0.00 0.38 1.57 -1.44 -2.79 116.57 115.12 2f64 h LYS 66 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f64 h LYS 66 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2f64 h LYS 66 CO 0.00 0.54 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.93 2f64 h ASP 67 N 0.85 0.00 -4.28 0.86 3.32 -1.19 -3.47 116.42 112.51 2f64 h ASP 67 Ca 0.33 -0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.86 2f64 h ASP 67 Cb 0.20 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.81 2f64 h ASP 67 CO -0.11 0.01 0.38 0.00 -1.72 0.00 0.00 179.24 177.79 2f64 n ASP 69 N -2.76 0.97 -3.74 0.00 8.00 0.17 -4.99 116.55 114.20 2f64 n ASP 69 Ca 0.06 0.29 -0.10 0.00 0.71 0.00 0.00 54.79 55.75 2f64 n ASP 69 Cb 0.55 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 2f64 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f64 s ALA 70 N -2.57 -0.63 -0.15 2.24 0.00 -1.13 -4.93 121.76 114.60 2f64 s ALA 70 Ca -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 2f64 s ALA 70 Cb 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2f64 s ALA 70 CO 0.81 -0.55 0.00 0.08 0.00 0.00 0.00 175.76 176.10 2f64 s VAL 71 N -3.61 4.28 -0.28 0.00 1.01 -1.26 -0.85 120.40 119.68 2f64 s VAL 71 Ca 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2f64 s VAL 71 Cb 0.03 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2f64 s VAL 71 CO -0.10 0.51 0.04 -0.63 0.00 0.00 0.00 175.10 174.92 2f64 s ILE 72 N 0.05 3.66 -0.17 2.22 1.01 -0.71 -0.58 121.20 126.67 2f64 s ILE 72 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2f64 s ILE 72 Cb -0.13 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2f64 s ILE 72 CO 0.02 0.11 -0.06 0.00 0.00 0.00 0.00 174.94 175.01 2f64 s ALA 73 N 1.45 2.83 -0.71 9.38 0.00 0.54 -2.00 121.76 133.23 2f64 s ALA 73 Ca 0.02 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2f64 s ALA 73 Cb -0.17 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.48 2f64 s ALA 73 CO 0.01 -0.02 1.18 0.34 0.00 0.00 0.00 175.76 177.27 2f64 s ASP 74 N 0.78 6.17 -0.40 0.00 -1.08 0.03 -1.50 116.67 120.66 2f64 s ASP 74 Ca -0.03 -0.62 0.06 0.00 -0.52 0.00 0.00 52.55 51.44 2f64 s ASP 74 Cb -0.15 -2.51 0.69 0.00 -1.46 0.00 0.00 42.92 39.48 2f64 s ASP 74 CO 0.02 -1.71 1.86 0.18 0.52 0.00 0.00 175.17 176.04 2f64 n LEU 75 N 8.83 6.46 -4.68 -1.34 4.77 0.31 -4.44 117.00 126.92 2f64 n LEU 75 Ca 0.01 -3.42 -0.32 0.00 -0.03 0.00 0.00 56.01 52.24 2f64 n LEU 75 Cb 0.48 -0.80 0.15 0.00 -2.33 0.00 0.00 43.42 40.92 2f64 n LEU 75 CO 0.69 0.95 0.71 -1.20 -1.33 0.00 0.00 177.39 177.21 2f64 n SER 76 N -0.76 0.62 -4.62 -1.43 7.64 -1.24 -4.43 113.62 109.40 2f64 n SER 76 Ca 0.52 0.50 -0.47 0.00 1.01 0.00 0.00 58.87 60.43 2f64 n SER 76 Cb 1.56 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 2f64 n SER 76 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2f64 n PRO 77 N -3.78 1.61 -3.77 1.43 -0.04 -1.26 -4.22 135.00 124.97 2f64 n PRO 77 Ca 0.13 0.57 -0.25 0.00 -0.04 0.00 0.00 63.50 63.91 2f64 n PRO 77 Cb 0.51 -2.14 -0.17 0.00 -0.04 0.00 0.00 33.50 31.66 2f64 n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f64 s PHE 78 N -0.19 0.91 -1.39 0.54 5.36 0.10 -4.84 117.98 118.47 2f64 s PHE 78 Ca 0.70 -0.50 -0.08 0.00 -0.96 0.00 0.00 56.93 56.09 2f64 s PHE 78 Cb -0.74 -0.94 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2f64 s PHE 78 CO 0.52 -0.46 1.03 0.54 -1.46 0.00 0.00 175.22 175.39 2f64 n ARG 79 N 5.08 -6.63 0.00 10.12 1.74 -1.26 -4.51 116.66 121.20 2f64 n ARG 79 Ca -0.08 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2f64 n ARG 79 Cb 0.49 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 2f64 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f64 n GLY 80 N -1.73 0.78 0.02 -0.13 0.00 -1.26 -4.85 105.19 98.01 2f64 n GLY 80 Ca -0.06 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.05 2f64 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f64 n HIS 81 N 5.25 0.14 -3.36 1.61 8.25 -1.26 -4.60 115.22 121.25 2f64 n HIS 81 Ca 0.00 0.04 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 2f64 n HIS 81 Cb 0.00 -0.47 -0.06 0.00 1.12 0.00 0.00 29.99 30.58 2f64 n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f64 s GLU 82 N -3.03 3.94 1.07 -0.41 0.41 -1.26 -4.61 118.70 114.82 2f64 s GLU 82 Ca 0.12 0.45 -0.12 0.00 -0.41 0.00 0.00 54.97 55.01 2f64 s GLU 82 Cb 0.17 -2.86 0.23 0.00 -1.78 0.00 0.00 34.13 29.89 2f64 s GLU 82 CO 0.61 0.44 1.06 -2.14 -0.49 0.00 0.00 175.26 174.74 2f64 s PRO 83 N -2.16 -0.15 0.20 0.39 0.02 -1.26 -0.72 135.00 131.32 2f64 s PRO 83 Ca 0.40 0.82 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 2f64 s PRO 83 Cb -0.14 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 2f64 s PRO 83 CO 0.19 -3.20 1.48 0.34 -0.33 0.00 0.00 177.00 175.48 2f64 s ASP 84 N -2.88 6.65 0.29 2.53 2.15 -1.26 -4.70 116.67 119.45 2f64 s ASP 84 Ca 0.67 2.61 -0.01 0.00 0.43 0.00 0.00 52.55 56.25 2f64 s ASP 84 Cb -0.22 -2.61 0.43 0.00 -0.30 0.00 0.00 42.92 40.22 2f64 s ASP 84 CO 0.61 -0.74 1.87 0.00 -0.17 0.00 0.00 175.17 176.74 2f64 h GLY 86 N 0.97 0.61 0.99 0.00 0.00 -1.99 0.25 103.07 103.90 2f64 h GLY 86 Ca 0.20 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2f64 h GLY 86 CO -0.02 0.35 0.44 -0.84 0.00 0.00 0.00 176.54 176.48 2f64 h THR 87 N 0.43 1.16 -0.59 4.70 2.02 -1.87 -1.72 112.91 117.04 2f64 h THR 87 Ca 0.11 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2f64 h THR 87 Cb 0.29 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2f64 h THR 87 CO 0.00 0.16 0.38 0.00 0.37 0.00 0.00 175.52 176.44 2f64 h ALA 88 N 1.25 0.75 -0.54 6.16 0.00 -0.94 -0.33 119.26 125.61 2f64 h ALA 88 Ca 0.25 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2f64 h ALA 88 Cb -0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 2f64 h ALA 88 CO -0.06 0.16 0.20 0.35 0.00 0.00 0.00 179.25 179.90 2f64 h PHE 89 N 0.78 0.36 -0.47 0.00 3.57 -0.59 -0.67 116.94 119.91 2f64 h PHE 89 Ca 0.22 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2f64 h PHE 89 Cb -0.06 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2f64 h PHE 89 CO -0.04 0.11 -0.08 0.93 -2.23 0.00 0.00 178.31 177.00 2f64 h GLU 90 N 0.39 0.83 -0.74 1.11 5.08 -0.70 0.12 114.58 120.67 2f64 h GLU 90 Ca 0.26 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2f64 h GLU 90 Cb 0.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2f64 h GLU 90 CO -0.26 0.89 0.22 0.28 -1.00 0.00 0.00 179.01 179.14 2f64 h VAL 91 N 0.76 1.26 -0.44 3.13 2.07 -0.68 -1.02 116.25 121.32 2f64 h VAL 91 Ca 0.13 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2f64 h VAL 91 Cb 0.58 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2f64 h VAL 91 CO 0.04 0.37 0.14 1.23 0.02 0.00 0.00 177.57 179.36 2f64 h GLY 92 N 1.11 0.74 0.37 2.17 0.00 -0.58 -0.73 103.07 106.16 2f64 h GLY 92 Ca 0.24 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.18 2f64 h GLY 92 CO -0.00 0.41 -0.15 0.00 0.00 0.00 0.00 176.54 176.80 2f64 h ALA 94 N 0.96 0.81 -0.43 0.00 0.00 -0.99 -2.24 119.26 117.38 2f64 h ALA 94 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2f64 h ALA 94 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2f64 h ALA 94 CO -0.29 0.18 0.23 0.00 0.00 0.00 0.00 179.25 179.37 2f64 h ALA 95 N 1.25 0.54 0.00 0.00 0.00 -0.88 -1.36 119.26 118.81 2f64 h ALA 95 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2f64 h ALA 95 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2f64 h ALA 95 CO -0.08 -0.11 -0.22 0.00 0.00 0.00 0.00 179.25 178.85 2f64 h ALA 96 N 1.21 1.54 -0.28 0.00 0.00 -1.07 -1.92 119.26 118.73 2f64 h ALA 96 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f64 h ALA 96 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2f64 h ALA 96 CO -0.10 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2f64 n LEU 97 N -4.13 1.93 -3.01 0.00 4.77 -0.87 -4.94 117.00 110.76 2f64 n LEU 97 Ca -0.02 -0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 54.84 2f64 n LEU 97 Cb 0.28 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2f64 n LEU 97 CO 0.36 0.45 -0.03 0.59 -1.33 0.00 0.00 177.39 177.43 2f64 n ASN 98 N 0.52 -5.78 0.00 -1.43 3.02 -0.72 -5.05 115.26 105.81 2f64 n ASN 98 Ca 0.15 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2f64 n ASN 98 Cb 0.34 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 2f64 n ASN 98 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2f64 n LYS 99 N -3.91 0.00 -3.40 3.52 4.76 -0.57 -5.04 118.16 113.52 2f64 n LYS 99 Ca -0.11 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.36 2f64 n LYS 99 Cb 0.62 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.76 2f64 n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f64 s VAL 101 N 0.62 -0.05 -0.07 -0.18 1.01 -1.26 -4.66 120.40 115.81 2f64 s VAL 101 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2f64 s VAL 101 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2f64 s VAL 101 CO 0.00 0.00 -0.21 -0.76 0.00 0.00 0.00 175.10 174.13 2f64 s LEU 102 N 1.61 1.97 0.13 3.92 1.43 0.26 -4.92 118.68 123.07 2f64 s LEU 102 Ca -0.04 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2f64 s LEU 102 Cb -0.02 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2f64 s LEU 102 CO -0.13 0.15 -0.20 0.42 0.23 0.00 0.00 176.35 176.82 2f64 s THR 103 N 0.24 1.79 0.13 5.49 -4.23 -1.26 -0.34 115.64 117.46 2f64 s THR 103 Ca -0.12 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2f64 s THR 103 Cb -0.15 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2f64 s THR 103 CO 0.06 -0.15 0.11 0.72 -0.54 0.00 0.00 174.62 174.81 2f64 s PHE 104 N -1.50 0.73 -0.00 3.99 -0.71 -0.56 -1.40 117.98 118.52 2f64 s PHE 104 Ca 0.11 -1.11 -0.19 0.00 -1.04 0.00 0.00 56.93 54.70 2f64 s PHE 104 Cb -0.08 -0.37 0.04 0.00 -1.21 0.00 0.00 43.02 41.39 2f64 s PHE 104 CO 0.05 -0.56 0.42 -0.08 -1.34 0.00 0.00 175.22 173.71 2f64 s THR 105 N -4.02 0.05 -1.35 -4.49 -1.32 -0.87 -0.53 115.64 103.10 2f64 s THR 105 Ca 0.21 -0.37 0.28 0.00 -1.21 0.00 0.00 61.69 60.60 2f64 s THR 105 Cb 0.06 -0.81 0.43 0.00 -1.51 0.00 0.00 72.50 70.68 2f64 s THR 105 CO 0.01 -0.20 1.93 -1.54 -2.21 0.00 0.00 174.62 172.61 2f64 n SER 106 N 0.94 0.00 -3.50 8.08 3.41 -1.26 -4.51 113.62 116.77 2f64 n SER 106 Ca -0.20 0.01 -0.24 0.00 -0.26 0.00 0.00 58.87 58.18 2f64 n SER 106 Cb 0.57 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 2f64 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f64 s ASP 107 N -2.65 2.59 0.00 4.04 -1.08 -1.26 -5.02 116.67 113.29 2f64 s ASP 107 Ca 0.24 -0.92 0.24 0.00 -0.52 0.00 0.00 52.55 51.59 2f64 s ASP 107 Cb 0.18 -0.00 0.69 0.00 -1.46 0.00 0.00 42.92 42.33 2f64 s ASP 107 CO 0.44 -0.40 1.53 0.54 0.52 0.00 0.00 175.17 177.80 2f64 n ARG 108 N 5.28 1.95 -1.57 4.34 3.00 -1.26 -4.93 116.66 123.46 2f64 n ARG 108 Ca -0.05 -1.41 -0.36 0.00 -0.01 0.00 0.00 57.85 56.03 2f64 n ARG 108 Cb 0.45 -1.45 0.08 0.00 0.00 0.00 0.00 32.46 31.54 2f64 n ARG 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2f64 s ARG 109 N -1.84 2.30 0.00 5.56 0.52 -1.26 -4.55 118.95 119.68 2f64 s ARG 109 Ca 0.34 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 2f64 s ARG 109 Cb 0.20 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2f64 s ARG 109 CO 0.30 -1.76 0.00 0.27 0.02 0.00 0.00 175.30 174.13 2f64 n ASN 110 N -2.31 0.00 0.00 0.23 0.23 -1.26 -4.04 115.26 108.11 2f64 n ASN 110 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 2f64 n ASN 110 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2f64 n ASN 110 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2f64 n ARG 112 N 0.00 0.00 -0.10 -3.83 1.74 -1.26 -1.29 116.66 111.92 2f64 n ARG 112 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2f64 n ARG 112 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2f64 n ARG 112 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2f64 h GLU 113 N 0.00 0.83 -0.31 5.56 4.81 -1.91 0.91 114.58 124.47 2f64 h GLU 113 Ca 0.00 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2f64 h GLU 113 Cb 0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2f64 h GLU 113 CO 0.00 1.09 0.19 0.87 -0.73 0.00 0.00 179.01 180.43 2f64 h LYS 114 N 0.61 0.38 0.00 1.92 1.57 -1.50 -2.83 116.57 116.72 2f64 h LYS 114 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2f64 h LYS 114 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2f64 h LYS 114 CO 0.09 0.25 -0.26 1.88 -0.57 0.00 0.00 179.45 180.84 2f64 h TYR 115 N 0.39 0.00 -0.05 -1.35 0.05 -1.83 -3.48 116.97 110.71 2f64 h TYR 115 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2f64 h TYR 115 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2f64 h TYR 115 CO -0.07 0.00 -0.02 0.41 -1.05 0.00 0.00 178.16 177.44 2f64 n GLY 116 N 1.29 0.48 3.70 3.88 0.00 0.26 -4.95 105.19 109.85 2f64 n GLY 116 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2f64 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f64 s SER 117 N -2.24 -0.15 0.00 1.61 0.15 -0.88 -5.00 113.70 107.20 2f64 s SER 117 Ca 0.00 -0.29 0.30 0.00 0.70 0.00 0.00 55.95 56.66 2f64 s SER 117 Cb 0.00 0.37 1.54 0.00 -1.71 0.00 0.00 66.02 66.22 2f64 s SER 117 CO 0.00 -0.68 2.04 0.61 1.20 0.00 0.00 173.24 176.40 2f64 n GLY 118 N -0.46 -0.95 3.15 9.45 0.00 -1.26 -4.55 105.19 110.57 2f64 n GLY 118 Ca -0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2f64 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f64 s VAL 119 N -2.27 0.65 0.50 1.61 -7.23 -1.26 -0.75 120.40 111.65 2f64 s VAL 119 Ca 0.37 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2f64 s VAL 119 Cb 0.21 -1.48 0.11 0.00 0.56 0.00 0.00 36.38 35.77 2f64 s VAL 119 CO 0.42 -0.79 0.68 -0.90 -0.31 0.00 0.00 175.10 174.20 2f64 n ASP 120 N 0.24 0.50 0.33 4.85 5.68 -0.11 -4.85 116.55 123.19 2f64 n ASP 120 Ca -0.14 -1.52 0.22 0.00 -0.50 0.00 0.00 54.79 52.84 2f64 n ASP 120 Cb 0.60 -0.48 1.16 0.00 -1.14 0.00 0.00 41.12 41.25 2f64 n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f64 h LYS 121 N 0.00 0.00 -0.52 0.11 2.10 -1.94 -1.25 116.57 115.06 2f64 h LYS 121 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2f64 h LYS 121 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 2f64 h LYS 121 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 2f64 n ASP 122 N -3.14 4.49 -1.08 7.07 8.00 -1.26 -4.95 116.55 125.67 2f64 n ASP 122 Ca -0.03 -2.57 -0.13 0.00 0.71 0.00 0.00 54.79 52.77 2f64 n ASP 122 Cb 0.09 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 2f64 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f64 n ASN 123 N 0.64 -4.57 -4.80 -2.24 5.15 -0.47 -5.01 115.26 103.96 2f64 n ASN 123 Ca 0.23 0.30 -0.38 0.00 -0.60 0.00 0.00 54.58 54.13 2f64 n ASN 123 Cb 0.87 -3.31 -0.06 0.00 -0.53 0.00 0.00 39.78 36.76 2f64 n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f64 s LEU 124 N -3.14 4.51 0.21 1.20 1.43 -1.26 -4.79 118.68 116.84 2f64 s LEU 124 Ca 0.00 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.25 2f64 s LEU 124 Cb 0.00 -3.23 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 2f64 s LEU 124 CO 0.00 0.19 1.43 -0.13 0.23 0.00 0.00 176.35 178.07 2f64 s ARG 125 N -1.35 4.28 -0.21 1.70 0.52 -1.26 -0.94 118.95 121.69 2f64 s ARG 125 Ca 0.35 2.25 -0.11 0.00 -0.52 0.00 0.00 55.73 57.70 2f64 s ARG 125 Cb -0.20 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2f64 s ARG 125 CO 0.22 -0.42 0.16 0.08 0.02 0.00 0.00 175.30 175.36 2f64 s VAL 126 N 0.30 5.38 0.41 3.52 1.01 0.07 -4.85 120.40 126.24 2f64 s VAL 126 Ca 0.61 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 2f64 s VAL 126 Cb -0.41 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2f64 s VAL 126 CO 0.39 0.39 1.31 -0.62 0.00 0.00 0.00 175.10 176.58 2f64 n GLU 127 N 3.85 2.06 -3.11 2.72 1.02 -1.26 -4.78 120.64 121.14 2f64 n GLU 127 Ca -0.15 0.73 -0.27 0.00 -0.02 0.00 0.00 57.16 57.45 2f64 n GLU 127 Cb 0.52 -2.43 -0.05 0.00 -0.02 0.00 0.00 31.44 29.45 2f64 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f64 n GLY 128 N 0.74 5.24 0.21 0.62 0.00 -1.26 -4.23 105.19 106.52 2f64 n GLY 128 Ca 0.06 -2.73 0.06 0.00 0.00 0.00 0.00 46.02 43.41 2f64 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f64 n PHE 129 N 0.15 0.17 -2.16 1.61 3.72 -1.26 -4.99 117.46 114.71 2f64 n PHE 129 Ca 0.30 -0.75 -0.14 0.00 -0.05 0.00 0.00 57.45 56.81 2f64 n PHE 129 Cb 0.41 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 2f64 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f64 n GLY 130 N -0.76 0.00 3.50 1.37 0.00 -1.26 -5.02 105.19 103.03 2f64 n GLY 130 Ca 0.10 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2f64 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f64 s LEU 131 N -3.98 2.73 0.00 0.99 1.43 -1.26 -4.85 118.68 113.74 2f64 s LEU 131 Ca 0.00 -0.72 0.29 0.00 -1.03 0.00 0.00 54.13 52.67 2f64 s LEU 131 Cb 0.00 -1.43 1.26 0.00 0.03 0.00 0.00 46.19 46.05 2f64 s LEU 131 CO 0.00 0.11 1.94 -0.81 0.23 0.00 0.00 176.35 177.82 2f64 n PRO 132 N 0.11 0.04 -3.82 1.29 -0.04 -1.26 -4.38 135.00 126.94 2f64 n PRO 132 Ca -0.11 -0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 2f64 n PRO 132 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2f64 n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f64 s PHE 133 N -2.96 0.04 -0.00 0.54 -0.00 -1.26 -4.87 117.98 109.46 2f64 s PHE 133 Ca 0.15 -0.62 -0.39 0.00 -0.00 0.00 0.00 56.93 56.08 2f64 s PHE 133 Cb 0.19 0.79 -0.19 0.00 -0.00 0.00 0.00 43.02 43.81 2f64 s PHE 133 CO 0.52 -1.39 1.20 -1.71 -0.00 0.00 0.00 175.22 173.85 2f64 n ASN 134 N -1.14 0.67 -2.69 1.98 2.85 -1.26 -4.86 115.26 110.80 2f64 n ASN 134 Ca -0.07 1.15 -0.02 0.00 -0.11 0.00 0.00 54.58 55.53 2f64 n ASN 134 Cb 0.60 -1.02 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 2f64 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f64 n LEU 135 N 2.06 0.45 0.00 1.20 -0.00 -1.26 -4.11 117.00 115.34 2f64 n LEU 135 Ca 0.20 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 55.31 2f64 n LEU 135 Cb 0.11 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2f64 n LEU 135 CO 0.63 -0.62 0.00 0.18 -0.00 0.00 0.00 177.39 177.58 2f64 n LEU 137 N 3.75 0.00 -4.44 1.47 4.77 -1.26 -4.76 117.00 116.53 2f64 n LEU 137 Ca 0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 2f64 n LEU 137 Cb 0.04 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2f64 n LEU 137 CO 0.36 0.00 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.59 2f64 s TYR 138 N 0.00 3.00 -0.03 -1.77 5.04 -1.26 -5.00 117.35 117.34 2f64 s TYR 138 Ca 0.00 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.18 2f64 s TYR 138 Cb 0.00 -2.03 0.06 0.00 0.35 0.00 0.00 41.96 40.34 2f64 s TYR 138 CO 0.00 -0.22 1.03 -0.40 -1.34 0.00 0.00 175.55 174.62 2f64 n ASP 139 N 4.04 2.06 0.00 4.32 5.68 -1.26 -4.99 116.55 126.40 2f64 n ASP 139 Ca -0.17 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 2f64 n ASP 139 Cb 0.52 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2f64 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f64 n GLY 140 N -0.70 3.22 3.76 6.12 0.00 -1.26 -5.07 105.19 111.27 2f64 n GLY 140 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2f64 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f64 s VAL 141 N -2.79 3.37 0.24 1.61 1.01 -1.26 -4.97 120.40 117.60 2f64 s VAL 141 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 2f64 s VAL 141 Cb 0.00 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.41 2f64 s VAL 141 CO 0.00 0.27 1.00 1.21 0.00 0.00 0.00 175.10 177.58 2f64 n GLU 142 N 0.90 1.11 -2.76 2.72 2.13 -1.26 -4.93 120.64 118.56 2f64 n GLU 142 Ca 0.00 0.39 -0.43 0.00 0.66 0.00 0.00 57.16 57.79 2f64 n GLU 142 Cb 0.45 -1.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 2f64 n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f64 s VAL 143 N -0.76 4.58 0.63 6.31 1.01 -1.26 -4.61 120.40 126.30 2f64 s VAL 143 Ca 0.64 1.42 -0.08 0.00 0.00 0.00 0.00 61.98 63.97 2f64 s VAL 143 Cb -0.78 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.27 2f64 s VAL 143 CO 0.57 -0.47 0.96 -0.36 0.00 0.00 0.00 175.10 175.80 2f64 s PHE 144 N 3.47 3.28 -2.17 5.22 0.08 -0.49 -4.93 117.98 122.43 2f64 s PHE 144 Ca 0.40 0.78 0.19 0.00 0.12 0.00 0.00 56.93 58.42 2f64 s PHE 144 Cb -0.12 -2.84 0.28 0.00 -0.57 0.00 0.00 43.02 39.76 2f64 s PHE 144 CO 0.16 -0.93 1.22 -0.40 -0.10 0.00 0.00 175.22 175.17 2f64 n ASP 145 N -2.72 2.94 -3.53 1.36 5.68 -1.26 -2.06 116.55 116.97 2f64 n ASP 145 Ca 0.05 -1.87 -0.10 0.00 -0.50 0.00 0.00 54.79 52.38 2f64 n ASP 145 Cb 0.57 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.40 2f64 n ASP 145 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2f64 s SER 146 N -1.42 -0.43 0.21 -1.12 1.04 -1.26 -4.64 113.70 106.07 2f64 s SER 146 Ca 0.28 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 2f64 s SER 146 Cb 0.18 0.54 0.22 0.00 0.10 0.00 0.00 66.02 67.05 2f64 s SER 146 CO 0.25 -0.90 1.81 0.15 0.98 0.00 0.00 173.24 175.53 2f64 h PHE 147 N 2.00 0.68 -0.68 5.02 3.57 -1.97 -2.59 116.94 122.97 2f64 h PHE 147 Ca -0.28 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 2f64 h PHE 147 Cb 1.27 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 2f64 h PHE 147 CO 0.28 0.34 0.18 1.49 -2.23 0.00 0.00 178.31 178.36 2f64 h GLU 148 N 0.69 1.08 -0.41 1.11 4.81 -1.98 0.29 114.58 120.17 2f64 h GLU 148 Ca 0.29 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 2f64 h GLU 148 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2f64 h GLU 148 CO -0.16 0.94 -0.17 0.66 -0.73 0.00 0.00 179.01 179.55 2f64 h SER 149 N 1.03 0.79 -0.56 1.04 4.64 -1.92 -0.69 113.55 117.87 2f64 h SER 149 Ca 0.22 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2f64 h SER 149 Cb 0.34 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2f64 h SER 149 CO -0.00 0.96 0.24 0.00 -0.87 0.00 0.00 176.83 177.15 2f64 h ALA 150 N 1.11 0.73 -0.47 5.18 0.00 -1.06 -2.81 119.26 121.94 2f64 h ALA 150 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2f64 h ALA 150 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2f64 h ALA 150 CO 0.05 0.33 0.13 0.35 0.00 0.00 0.00 179.25 180.10 2f64 h PHE 151 N 0.76 0.70 -0.86 0.00 3.57 -0.44 -1.72 116.94 118.96 2f64 h PHE 151 Ca 0.19 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2f64 h PHE 151 Cb 0.18 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2f64 h PHE 151 CO 0.00 0.59 0.48 0.87 -2.23 0.00 0.00 178.31 178.03 2f64 h LYS 152 N 0.68 1.19 -0.64 1.11 1.57 -0.96 -1.27 116.57 118.24 2f64 h LYS 152 Ca 0.16 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2f64 h LYS 152 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2f64 h LYS 152 CO -0.01 0.86 0.36 -0.92 -0.57 0.00 0.00 179.45 179.18 2f64 h TYR 153 N 1.19 0.88 -0.26 -1.35 3.20 -1.11 -1.94 116.97 117.57 2f64 h TYR 153 Ca 0.30 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2f64 h TYR 153 Cb 0.01 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 2f64 h TYR 153 CO 0.01 0.62 0.01 0.35 -1.64 0.00 0.00 178.16 177.51 2f64 h PHE 154 N 0.88 0.02 -0.57 -3.82 3.57 -0.75 -0.92 116.94 115.35 2f64 h PHE 154 Ca 0.23 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2f64 h PHE 154 Cb 0.03 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2f64 h PHE 154 CO -0.01 -0.02 0.21 -0.07 -2.23 0.00 0.00 178.31 176.19 2f64 h LEU 155 N 0.10 0.76 -0.74 0.59 3.38 -1.03 0.38 115.31 118.74 2f64 h LEU 155 Ca 0.12 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2f64 h LEU 155 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2f64 h LEU 155 CO -0.19 0.70 -0.52 0.00 0.09 0.00 0.00 178.44 178.52 2f64 h ALA 156 N 1.41 0.92 -0.00 1.53 0.00 -1.01 -3.37 119.26 118.75 2f64 h ALA 156 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2f64 h ALA 156 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2f64 h ALA 156 CO -0.01 0.65 -0.06 0.09 0.00 0.00 0.00 179.25 179.91 2f64 n ASN 157 N -3.60 0.86 -3.35 0.00 3.02 -0.38 -4.75 115.26 107.05 2f64 n ASN 157 Ca -0.00 -0.93 -0.26 0.00 -0.03 0.00 0.00 54.58 53.36 2f64 n ASN 157 Cb 0.59 0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 40.06 2f64 n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f64 n PHE 158 N -0.29 0.13 -1.44 3.10 7.35 0.13 -5.04 117.46 121.40 2f64 n PHE 158 Ca 0.02 -3.59 -0.31 0.00 -0.76 0.00 0.00 57.45 52.81 2f64 n PHE 158 Cb 0.08 -0.16 0.07 0.00 0.35 0.00 0.00 39.48 39.82 2f64 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f64 s PRO 159 N -0.87 2.54 0.00 -7.13 0.04 -1.26 -4.72 135.00 123.61 2f64 s PRO 159 Ca 0.34 0.99 0.14 0.00 0.04 0.00 0.00 61.00 62.51 2f64 s PRO 159 Cb 0.10 -1.94 0.83 0.00 0.04 0.00 0.00 34.50 33.53 2f64 s PRO 159 CO -0.14 -1.39 1.26 0.43 0.04 0.00 0.00 177.00 177.20