#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe8 n ASN 10 N 0.00 -8.31 -1.72 0.00 3.02 -1.26 -2.08 115.26 104.90 1xe8 n ASN 10 Ca 0.00 1.74 -0.00 0.00 -0.03 0.00 0.00 54.58 56.28 1xe8 n ASN 10 Cb 0.00 -4.91 -0.00 0.00 -0.61 0.00 0.00 39.78 34.26 1xe8 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xe8 n ALA 11 N -2.31 -3.11 -1.53 5.41 0.00 -1.26 -3.34 120.51 114.37 1xe8 n ALA 11 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1xe8 n ALA 11 Cb 0.39 -0.48 0.08 0.00 0.00 0.00 0.00 19.45 19.45 1xe8 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xe8 n ALA 12 N 0.21 0.67 -3.36 0.00 0.00 -1.26 -4.68 120.51 112.09 1xe8 n ALA 12 Ca -0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1xe8 n ALA 12 Cb 0.05 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 1xe8 n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xe8 s ILE 13 N -1.61 4.47 -0.49 0.00 1.01 -1.26 -4.96 121.20 118.35 1xe8 s ILE 13 Ca 0.79 -1.55 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1xe8 s ILE 13 Cb -0.36 -3.84 0.22 0.00 0.01 0.00 0.00 42.46 38.49 1xe8 s ILE 13 CO 0.44 -0.69 0.52 -0.62 0.00 0.00 0.00 174.94 174.59 1xe8 n GLU 14 N 4.99 1.13 -1.47 2.79 1.02 -1.26 -5.12 120.64 122.72 1xe8 n GLU 14 Ca -0.10 -3.70 -0.39 0.00 -0.02 0.00 0.00 57.16 52.95 1xe8 n GLU 14 Cb 0.42 -1.71 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1xe8 n GLU 14 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1xe8 n PRO 15 N 1.73 0.56 -2.00 3.49 -0.02 -1.26 -5.01 135.00 132.49 1xe8 n PRO 15 Ca 0.25 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.65 1xe8 n PRO 15 Cb 0.47 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 32.43 1xe8 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xe8 s ALA 16 N -1.67 2.38 0.20 3.55 0.00 -1.26 -4.91 121.76 120.04 1xe8 s ALA 16 Ca 0.68 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 1xe8 s ALA 16 Cb -0.47 -2.69 0.12 0.00 0.00 0.00 0.00 23.12 20.08 1xe8 s ALA 16 CO 0.55 -2.36 1.75 0.66 0.00 0.00 0.00 175.76 176.36 1xe8 h SER 17 N -1.55 0.98 0.83 0.00 4.64 -1.94 -2.56 113.55 113.96 1xe8 h SER 17 Ca -0.43 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1xe8 h SER 17 Cb 1.23 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1xe8 h SER 17 CO 0.37 0.89 0.00 2.22 -0.87 0.00 0.00 176.83 179.44 1xe8 n PHE 18 N -4.36 0.62 0.10 4.77 -0.00 -1.26 -0.38 117.46 116.96 1xe8 n PHE 18 Ca 0.06 0.23 -0.17 0.00 -0.00 0.00 0.00 57.45 57.56 1xe8 n PHE 18 Cb 0.18 -0.87 -0.14 0.00 -0.00 0.00 0.00 39.48 38.65 1xe8 n PHE 18 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1xe8 h VAL 19 N 0.00 1.40 0.00 1.97 2.07 -1.78 -2.60 116.25 117.32 1xe8 h VAL 19 Ca 0.00 -2.97 -0.02 0.00 0.82 0.00 0.00 66.70 64.54 1xe8 h VAL 19 Cb 0.42 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1xe8 h VAL 19 CO 0.00 0.87 -0.09 0.11 0.02 0.00 0.00 177.57 178.47 1xe8 h LYS 20 N 0.08 0.00 -3.34 1.57 1.57 -1.31 -3.41 116.57 111.74 1xe8 h LYS 20 Ca -0.17 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.97 1xe8 h LYS 20 Cb 2.01 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.91 1xe8 h LYS 20 CO 0.21 0.87 -0.63 0.08 -0.57 0.00 0.00 179.45 179.41 1xe8 s VAL 21 N -2.15 2.56 0.00 0.50 1.01 0.49 -5.13 120.40 117.68 1xe8 s VAL 21 Ca -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 61.98 58.45 1xe8 s VAL 21 Cb -0.02 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1xe8 s VAL 21 CO 0.60 -0.82 0.00 -0.81 0.00 0.00 0.00 175.10 174.07 1xe8 n PRO 22 N 3.04 2.67 -0.10 2.72 -0.04 -0.98 -4.18 135.00 138.14 1xe8 n PRO 22 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1xe8 n PRO 22 Cb 0.32 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 1xe8 n PRO 22 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1xe8 n PRO 24 N 0.00 0.74 -3.91 0.54 -0.04 -1.26 -4.92 135.00 126.15 1xe8 n PRO 24 Ca 0.00 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1xe8 n PRO 24 Cb 0.00 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 1xe8 n PRO 24 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xe8 s GLU 25 N -2.41 0.25 0.43 0.54 0.41 -1.26 -4.95 118.70 111.71 1xe8 s GLU 25 Ca -0.23 -0.30 -0.26 0.00 -0.41 0.00 0.00 54.97 53.77 1xe8 s GLU 25 Cb 0.07 0.10 -0.09 0.00 -1.78 0.00 0.00 34.13 32.42 1xe8 s GLU 25 CO 0.53 -0.05 1.46 -1.25 -0.49 0.00 0.00 175.26 175.46 1xe8 s PRO 26 N -0.86 3.77 0.52 0.39 0.04 -1.26 -4.67 135.00 132.93 1xe8 s PRO 26 Ca -0.10 2.49 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 1xe8 s PRO 26 Cb -0.06 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 1xe8 s PRO 26 CO -0.00 -0.77 1.31 -0.35 0.04 0.00 0.00 177.00 177.23 1xe8 n PRO 27 N -0.05 1.71 -0.28 0.56 -0.04 -1.26 -4.45 135.00 131.19 1xe8 n PRO 27 Ca 0.04 0.62 -0.01 0.00 -0.04 0.00 0.00 63.50 64.12 1xe8 n PRO 27 Cb 0.41 -2.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1xe8 n PRO 27 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xe8 n SER 28 N -0.66 -0.48 -0.25 3.54 7.64 -1.26 -0.16 113.62 121.99 1xe8 n SER 28 Ca 0.10 1.28 -0.02 0.00 1.01 0.00 0.00 58.87 61.24 1xe8 n SER 28 Cb 0.44 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 1xe8 n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1xe8 h SER 29 N 0.00 -0.96 1.12 6.43 0.87 -1.99 -1.15 113.55 117.88 1xe8 h SER 29 Ca 0.25 0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.93 1xe8 h SER 29 Cb 0.43 0.54 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1xe8 h SER 29 CO -0.73 -0.28 -0.54 -0.07 -0.53 0.00 0.00 176.83 174.69 1xe8 h LEU 30 N -0.07 0.00 -0.31 2.23 3.38 -0.88 -3.16 115.31 116.50 1xe8 h LEU 30 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1xe8 h LEU 30 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1xe8 h LEU 30 CO -0.75 0.54 0.15 1.56 0.09 0.00 0.00 178.44 180.02 1xe8 h GLN 31 N 0.00 0.45 0.10 1.13 1.08 -0.14 -0.83 115.11 116.90 1xe8 h GLN 31 Ca -0.01 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1xe8 h GLN 31 Cb 1.25 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.56 1xe8 h GLN 31 CO 0.07 0.43 -0.29 1.96 -0.95 0.00 0.00 178.83 180.05 1xe8 h GLN 32 N 0.37 -0.47 -0.43 1.46 4.20 -1.38 0.28 115.11 119.14 1xe8 h GLN 32 Ca 0.11 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.94 1xe8 h GLN 32 Cb 0.13 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 1xe8 h GLN 32 CO -0.01 -0.32 -0.14 1.25 -0.67 0.00 0.00 178.83 178.95 1xe8 h LEU 33 N -0.49 -0.49 0.08 1.46 5.85 -1.47 0.92 115.31 121.17 1xe8 h LEU 33 Ca 0.04 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xe8 h LEU 33 Cb 0.53 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1xe8 h LEU 33 CO -0.18 -0.17 -0.22 0.40 -0.34 0.00 0.00 178.44 177.93 1xe8 h ILE 34 N -0.04 0.51 -0.13 4.05 2.04 -0.46 -0.50 117.51 122.97 1xe8 h ILE 34 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1xe8 h ILE 34 Cb 0.35 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1xe8 h ILE 34 CO -0.46 0.00 0.08 0.78 0.00 0.00 0.00 178.15 178.55 1xe8 h ASN 35 N -0.39 0.16 -0.17 1.72 2.35 0.54 0.10 115.58 119.88 1xe8 h ASN 35 Ca 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xe8 h ASN 35 Cb 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1xe8 h ASN 35 CO -0.14 0.15 0.09 0.44 -1.65 0.00 0.00 177.43 176.32 1xe8 h ASP 36 N 0.15 0.22 1.03 5.81 3.32 0.10 -2.78 116.42 124.27 1xe8 h ASP 36 Ca 0.05 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1xe8 h ASP 36 Cb 0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xe8 h ASP 36 CO -0.01 0.26 -0.06 0.79 -1.72 0.00 0.00 179.24 178.50 1xe8 n TRP 37 N -4.90 0.17 -3.17 4.55 7.02 -0.21 -4.94 117.44 115.95 1xe8 n TRP 37 Ca -0.04 0.05 -0.14 0.00 -1.02 0.00 0.00 57.50 56.35 1xe8 n TRP 37 Cb 0.08 -0.55 0.07 0.00 -2.42 0.00 0.00 31.31 28.49 1xe8 n TRP 37 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1xe8 n GLN 38 N -1.64 -5.44 -3.02 -0.99 7.27 -0.09 -4.99 117.38 108.48 1xe8 n GLN 38 Ca 0.07 0.70 -0.40 0.00 0.07 0.00 0.00 57.00 57.44 1xe8 n GLN 38 Cb 0.36 -5.27 -0.05 0.00 2.41 0.00 0.00 30.24 27.68 1xe8 n GLN 38 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xe8 s LEU 39 N -5.58 4.51 0.09 1.69 1.43 -0.54 -4.89 118.68 115.38 1xe8 s LEU 39 Ca 0.00 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 1xe8 s LEU 39 Cb -0.00 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1xe8 s LEU 39 CO 0.60 0.11 0.05 -0.63 0.23 0.00 0.00 176.35 176.71 1xe8 s ILE 40 N -0.54 4.35 0.15 -0.59 -1.09 -0.42 -4.79 121.20 118.26 1xe8 s ILE 40 Ca 0.36 -0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 57.61 1xe8 s ILE 40 Cb -0.21 -3.09 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1xe8 s ILE 40 CO 0.23 0.11 1.45 -0.75 -1.23 0.00 0.00 174.94 174.76 1xe8 s LYS 41 N -2.40 4.28 0.31 2.79 2.20 -1.26 -0.22 119.74 125.45 1xe8 s LYS 41 Ca 0.28 2.20 -0.19 0.00 -0.36 0.00 0.00 55.97 57.90 1xe8 s LYS 41 Cb -0.12 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 1xe8 s LYS 41 CO 0.21 -0.48 0.80 -1.58 -0.36 0.00 0.00 175.35 173.93 1xe8 s HIS 42 N 0.93 3.49 0.48 4.03 5.65 0.84 -4.86 115.29 125.85 1xe8 s HIS 42 Ca 0.65 1.42 0.21 0.00 0.25 0.00 0.00 55.06 57.60 1xe8 s HIS 42 Cb -0.40 -2.67 1.24 0.00 -1.18 0.00 0.00 32.58 29.57 1xe8 s HIS 42 CO 0.32 0.15 1.95 -0.09 -0.65 0.00 0.00 174.74 176.42 1xe8 h ARG 43 N 2.68 0.19 -0.37 2.88 2.43 -1.94 0.80 114.38 121.06 1xe8 h ARG 43 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1xe8 h ARG 43 Cb 1.18 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1xe8 h ARG 43 CO 0.64 0.13 0.00 0.39 -1.51 0.00 0.00 179.97 179.62 1xe8 n GLU 44 N -4.42 2.17 0.00 0.20 -0.58 -1.26 -5.03 120.64 111.72 1xe8 n GLU 44 Ca 0.13 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1xe8 n GLU 44 Cb 0.60 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1xe8 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xe8 n GLY 45 N 1.33 2.42 2.45 0.62 0.00 0.27 -0.53 105.19 111.76 1xe8 n GLY 45 Ca 0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xe8 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe8 n GLY 46 N 1.43 -2.44 3.32 -0.02 0.00 -1.25 -4.40 105.19 101.82 1xe8 n GLY 46 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 1xe8 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xe8 s TYR 47 N -0.51 2.15 0.27 1.61 1.51 0.45 -0.11 117.35 122.72 1xe8 s TYR 47 Ca 0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1xe8 s TYR 47 Cb 0.00 -1.27 -0.00 0.00 -0.11 0.00 0.00 41.96 40.57 1xe8 s TYR 47 CO 0.00 0.13 0.32 1.97 -1.11 0.00 0.00 175.55 176.86 1xe8 n PHE 48 N 1.72 -0.99 -3.65 2.71 1.16 0.70 -0.92 117.46 118.19 1xe8 n PHE 48 Ca -0.17 -1.95 0.01 0.00 -1.87 0.00 0.00 57.45 53.47 1xe8 n PHE 48 Cb 0.52 0.35 -0.06 0.00 -1.61 0.00 0.00 39.48 38.68 1xe8 n PHE 48 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1xe8 s LYS 49 N -2.78 0.10 -0.39 3.97 2.20 -1.18 -1.30 119.74 120.36 1xe8 s LYS 49 Ca 0.26 0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.76 1xe8 s LYS 49 Cb 0.00 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.36 1xe8 s LYS 49 CO 0.18 -0.02 1.04 -2.00 -0.36 0.00 0.00 175.35 174.19 1xe8 s GLU 50 N 1.03 3.86 -0.05 4.03 2.12 -1.26 -1.92 118.70 126.51 1xe8 s GLU 50 Ca -0.07 0.71 0.11 0.00 0.36 0.00 0.00 54.97 56.07 1xe8 s GLU 50 Cb -0.03 -3.82 -0.23 0.00 0.26 0.00 0.00 34.13 30.31 1xe8 s GLU 50 CO -0.11 -1.08 0.64 2.41 -0.54 0.00 0.00 175.26 176.58 1xe8 n THR 51 N 6.23 1.63 -3.74 -1.70 -1.04 0.92 -4.94 114.28 111.64 1xe8 n THR 51 Ca 0.10 -0.78 -0.13 0.00 -2.04 0.00 0.00 64.05 61.20 1xe8 n THR 51 Cb 0.48 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.78 1xe8 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xe8 s ASP 52 N -6.18 -0.40 -0.22 8.00 -1.08 -1.09 -4.98 116.67 110.72 1xe8 s ASP 52 Ca -0.06 0.75 -0.03 0.00 -0.52 0.00 0.00 52.55 52.69 1xe8 s ASP 52 Cb 0.08 0.74 0.07 0.00 -1.46 0.00 0.00 42.92 42.35 1xe8 s ASP 52 CO 0.82 -0.14 0.08 -0.60 0.52 0.00 0.00 175.17 175.85 1xe8 s ARG 53 N 0.40 0.41 0.03 4.34 3.52 -1.26 0.47 118.95 126.86 1xe8 s ARG 53 Ca -0.02 -0.43 -0.37 0.00 -0.13 0.00 0.00 55.73 54.79 1xe8 s ARG 53 Cb -0.04 -1.85 -0.16 0.00 -1.56 0.00 0.00 34.95 31.34 1xe8 s ARG 53 CO -0.02 -0.76 1.42 0.45 -0.81 0.00 0.00 175.30 175.58 1xe8 n SER 54 N 5.13 1.85 0.19 -2.12 2.88 -0.62 -4.82 113.62 116.11 1xe8 n SER 54 Ca -0.07 1.11 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 1xe8 n SER 54 Cb 0.46 -1.20 0.63 0.00 -0.75 0.00 0.00 64.21 63.35 1xe8 n SER 54 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xe8 h PRO 55 N 5.08 0.00 -6.48 -1.46 0.11 -1.99 -3.39 132.00 123.88 1xe8 h PRO 55 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1xe8 h PRO 55 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1xe8 h PRO 55 CO 0.81 0.00 0.17 0.71 -0.21 0.00 0.00 178.00 179.48 1xe8 s TYR 56 N -3.52 3.88 0.00 0.65 2.02 -1.26 -4.97 117.35 114.15 1xe8 s TYR 56 Ca 0.02 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1xe8 s TYR 56 Cb 0.09 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.89 1xe8 s TYR 56 CO 0.40 0.48 0.00 0.25 -1.57 0.00 0.00 175.55 175.12 1xe8 n THR 57 N 1.78 0.00 -4.96 -0.71 -2.24 -1.26 0.47 114.28 107.36 1xe8 n THR 57 Ca -0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1xe8 n THR 57 Cb 0.49 -0.39 -0.17 0.00 -2.10 0.00 0.00 70.33 68.16 1xe8 n THR 57 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xe8 s GLU 59 N 1.44 2.40 0.28 -0.78 0.41 -1.26 -4.61 118.70 116.58 1xe8 s GLU 59 Ca 0.00 -0.69 0.10 0.00 -0.41 0.00 0.00 54.97 53.97 1xe8 s GLU 59 Cb 0.00 -1.89 -0.05 0.00 -1.78 0.00 0.00 34.13 30.40 1xe8 s GLU 59 CO 0.00 0.15 -0.15 0.08 -0.49 0.00 0.00 175.26 174.85 1xe8 s VAL 60 N 0.37 2.18 -0.18 2.63 1.01 0.16 -4.92 120.40 121.65 1xe8 s VAL 60 Ca -0.14 -2.29 -0.07 0.00 0.00 0.00 0.00 61.98 59.47 1xe8 s VAL 60 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1xe8 s VAL 60 CO 0.06 -0.39 0.06 -1.61 0.00 0.00 0.00 175.10 173.23 1xe8 s GLU 61 N -3.58 3.94 0.08 2.72 2.02 -1.26 -0.47 118.70 122.14 1xe8 s GLU 61 Ca 0.29 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1xe8 s GLU 61 Cb -0.02 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1xe8 s GLU 61 CO 0.13 0.30 -0.07 -1.59 0.02 0.00 0.00 175.26 174.05 1xe8 s LYS 62 N 0.28 0.73 -0.47 1.61 -2.85 -0.50 -4.97 119.74 113.57 1xe8 s LYS 62 Ca 0.04 -1.11 -0.28 0.00 -1.00 0.00 0.00 55.97 53.62 1xe8 s LYS 62 Cb -0.12 -0.28 -0.00 0.00 -2.06 0.00 0.00 37.83 35.37 1xe8 s LYS 62 CO 0.00 0.02 1.60 -1.25 0.10 0.00 0.00 175.35 175.82 1xe8 s PRO 63 N -2.92 3.26 0.36 1.78 0.04 -1.26 -1.36 135.00 134.89 1xe8 s PRO 63 Ca 0.03 0.86 0.04 0.00 0.04 0.00 0.00 61.00 61.97 1xe8 s PRO 63 Cb -0.01 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 1xe8 s PRO 63 CO -0.02 -1.97 0.07 0.95 0.04 0.00 0.00 177.00 176.07 1xe8 s THR 71 N 6.67 1.04 0.00 1.26 -4.23 -1.26 -5.25 115.64 113.87 1xe8 s THR 71 Ca 0.65 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1xe8 s THR 71 Cb -0.15 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1xe8 s THR 71 CO 0.28 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.74 1xe8 n GLU 72 N -0.78 0.97 0.00 3.99 1.02 -0.46 -5.17 120.64 120.20 1xe8 n GLU 72 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1xe8 n GLU 72 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1xe8 n GLU 72 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1xe8 n VAL 74 N 0.00 0.00 -3.48 2.62 0.24 0.37 -1.41 118.33 116.67 1xe8 n VAL 74 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 1xe8 n VAL 74 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1xe8 n VAL 74 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xe8 s THR 75 N -0.98 5.09 0.24 3.34 -1.32 -1.26 0.39 115.64 121.15 1xe8 s THR 75 Ca 0.00 0.82 0.04 0.00 -1.21 0.00 0.00 61.69 61.33 1xe8 s THR 75 Cb 0.00 -3.71 -0.05 0.00 -1.51 0.00 0.00 72.50 67.22 1xe8 s THR 75 CO 0.00 0.52 -0.00 -0.13 -2.21 0.00 0.00 174.62 172.80 1xe8 s ARG 76 N -0.65 1.38 0.08 7.08 1.81 -1.26 -4.97 118.95 122.42 1xe8 s ARG 76 Ca 0.23 -1.70 -0.30 0.00 -1.72 0.00 0.00 55.73 52.24 1xe8 s ARG 76 Cb -0.16 -0.67 -0.05 0.00 -0.45 0.00 0.00 34.95 33.62 1xe8 s ARG 76 CO 0.12 -0.09 0.99 -0.80 -0.68 0.00 0.00 175.30 174.83 1xe8 s ASN 77 N -3.33 7.42 0.28 0.23 -0.87 -1.26 -4.17 114.94 113.23 1xe8 s ASN 77 Ca 0.29 1.78 -0.02 0.00 -1.57 0.00 0.00 52.86 53.34 1xe8 s ASN 77 Cb 0.06 -2.58 0.60 0.00 -0.02 0.00 0.00 41.25 39.31 1xe8 s ASN 77 CO 0.09 -0.16 1.62 1.56 -2.57 0.00 0.00 177.10 177.64 1xe8 h GLN 78 N 6.01 0.10 -4.07 -0.60 4.20 -0.17 1.26 115.11 121.84 1xe8 h GLN 78 Ca -0.42 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.15 1xe8 h GLN 78 Cb 1.21 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.83 1xe8 h GLN 78 CO 0.73 0.06 -0.47 -1.54 -0.67 0.00 0.00 178.83 176.95 1xe8 s SER 79 N -5.11 0.18 -0.01 1.46 1.04 -1.26 -2.54 113.70 107.45 1xe8 s SER 79 Ca -0.13 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1xe8 s SER 79 Cb 0.25 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1xe8 s SER 79 CO 0.77 -0.79 0.01 -0.89 0.98 0.00 0.00 173.24 173.32 1xe8 s THR 80 N -3.97 0.02 -0.01 2.02 2.01 -0.56 -1.58 115.64 113.56 1xe8 s THR 80 Ca 0.16 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1xe8 s THR 80 Cb 0.05 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 1xe8 s THR 80 CO -0.02 0.07 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.56 1xe8 s LEU 81 N 0.67 2.04 0.18 4.42 2.96 0.18 -1.26 118.68 127.87 1xe8 s LEU 81 Ca -0.06 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1xe8 s LEU 81 Cb -0.08 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 1xe8 s LEU 81 CO -0.02 0.25 0.17 0.27 -1.32 0.00 0.00 176.35 175.70 1xe8 s ILE 82 N -0.48 0.04 -0.14 6.68 -4.36 -0.74 -0.06 121.20 122.14 1xe8 s ILE 82 Ca 0.08 -1.83 -0.02 0.00 -0.26 0.00 0.00 60.65 58.62 1xe8 s ILE 82 Cb -0.08 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1xe8 s ILE 82 CO -0.01 -0.16 -0.09 -0.31 0.24 0.00 0.00 174.94 174.61 1xe8 s TYR 83 N -4.09 2.91 -0.09 1.37 4.12 -0.81 -2.15 117.35 118.61 1xe8 s TYR 83 Ca 0.30 -0.47 0.03 0.00 0.02 0.00 0.00 57.07 56.95 1xe8 s TYR 83 Cb 0.06 -1.89 0.01 0.00 -1.52 0.00 0.00 41.96 38.61 1xe8 s TYR 83 CO 0.07 -0.12 -0.18 -0.47 0.02 0.00 0.00 175.55 174.87 1xe8 s TYR 84 N 0.33 2.06 -0.06 2.71 5.04 -0.24 -3.09 117.35 124.09 1xe8 s TYR 84 Ca -0.08 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 53.71 1xe8 s TYR 84 Cb -0.15 -1.43 0.02 0.00 0.35 0.00 0.00 41.96 40.75 1xe8 s TYR 84 CO 0.04 -0.38 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.66 1xe8 s LEU 85 N 0.57 1.11 -0.10 6.97 2.96 -0.10 -1.33 118.68 128.77 1xe8 s LEU 85 Ca -0.15 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1xe8 s LEU 85 Cb -0.17 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 1xe8 s LEU 85 CO 0.05 -0.10 0.12 -0.76 -1.32 0.00 0.00 176.35 174.34 1xe8 s LEU 86 N 1.33 4.25 0.26 -0.68 1.43 -0.23 -0.41 118.68 124.62 1xe8 s LEU 86 Ca -0.04 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1xe8 s LEU 86 Cb -0.14 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1xe8 s LEU 86 CO -0.02 0.39 0.05 0.42 0.23 0.00 0.00 176.35 177.41 1xe8 s THR 87 N -1.04 0.90 0.21 5.49 -4.23 -0.45 -1.81 115.64 114.71 1xe8 s THR 87 Ca 0.16 -2.01 0.34 0.00 -1.18 0.00 0.00 61.69 59.00 1xe8 s THR 87 Cb -0.12 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.55 1xe8 s THR 87 CO 0.06 -0.14 2.04 1.55 -0.54 0.00 0.00 174.62 177.58 1xe8 h PRO 88 N 2.36 0.00 -0.01 3.99 0.13 -1.91 0.28 132.00 136.85 1xe8 h PRO 88 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1xe8 h PRO 88 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xe8 h PRO 88 CO 0.64 0.03 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.90 1xe8 n ASP 89 N -3.16 0.96 -2.76 1.44 5.68 -1.26 -4.26 116.55 113.18 1xe8 n ASP 89 Ca -0.00 -0.97 -0.08 0.00 -0.50 0.00 0.00 54.79 53.24 1xe8 n ASP 89 Cb 0.28 0.04 0.04 0.00 -1.14 0.00 0.00 41.12 40.34 1xe8 n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xe8 n SER 90 N -0.53 -2.88 -0.10 -1.12 2.88 -0.47 -4.88 113.62 106.52 1xe8 n SER 90 Ca 0.15 -3.25 0.15 0.00 -1.33 0.00 0.00 58.87 54.59 1xe8 n SER 90 Cb 0.32 1.76 0.79 0.00 -0.75 0.00 0.00 64.21 66.33 1xe8 n SER 90 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xe8 n PRO 91 N 1.78 0.97 -4.96 -1.46 -0.04 0.85 -1.34 135.00 130.81 1xe8 n PRO 91 Ca 0.10 -0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 1xe8 n PRO 91 Cb 0.62 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1xe8 n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xe8 s ILE 92 N -2.17 1.58 -0.43 0.52 1.01 -1.26 -1.20 121.20 119.25 1xe8 s ILE 92 Ca 0.40 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1xe8 s ILE 92 Cb 0.21 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1xe8 s ILE 92 CO 0.40 0.45 0.27 -0.83 0.00 0.00 0.00 174.94 175.23 1xe8 s GLY 93 N -0.29 1.99 0.39 6.18 0.00 0.75 -3.77 107.32 112.56 1xe8 s GLY 93 Ca 0.03 -2.30 -0.25 0.00 0.00 0.00 0.00 44.72 42.20 1xe8 s GLY 93 CO 0.01 1.01 1.14 0.54 0.00 0.00 0.00 173.10 175.80 1xe8 s LYS 94 N 1.37 4.14 -0.35 2.90 1.02 0.31 -1.62 119.74 127.52 1xe8 s LYS 94 Ca 0.04 1.77 -0.32 0.00 0.02 0.00 0.00 55.97 57.48 1xe8 s LYS 94 Cb -0.24 -2.70 -0.14 0.00 -0.52 0.00 0.00 37.83 34.23 1xe8 s LYS 94 CO 0.00 -0.23 1.18 1.19 -0.92 0.00 0.00 175.35 176.58 1xe8 n PHE 95 N 0.16 1.15 -3.87 3.18 0.99 0.04 -4.76 117.46 114.35 1xe8 n PHE 95 Ca 0.04 0.75 -0.09 0.00 -0.00 0.00 0.00 57.45 58.15 1xe8 n PHE 95 Cb 0.47 -1.56 -0.07 0.00 -1.00 0.00 0.00 39.48 37.32 1xe8 n PHE 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1xe8 s HIS 96 N 2.46 0.21 0.04 1.38 -3.43 -0.71 -1.22 115.29 114.03 1xe8 s HIS 96 Ca 0.75 -0.60 0.03 0.00 -0.80 0.00 0.00 55.06 54.44 1xe8 s HIS 96 Cb -1.05 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 30.07 1xe8 s HIS 96 CO 0.55 -0.64 -0.10 0.21 -2.00 0.00 0.00 174.74 172.76 1xe8 s LYS 97 N -3.90 0.63 0.02 -0.38 2.20 0.20 -0.76 119.74 117.74 1xe8 s LYS 97 Ca 0.10 -0.75 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 1xe8 s LYS 97 Cb 0.04 -0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 35.84 1xe8 s LYS 97 CO -0.06 0.11 -0.18 1.21 -0.36 0.00 0.00 175.35 176.06 1xe8 s ASN 98 N -1.42 2.16 0.38 1.43 3.84 -1.26 -1.53 114.94 118.53 1xe8 s ASN 98 Ca -0.06 -0.42 0.07 0.00 0.21 0.00 0.00 52.86 52.66 1xe8 s ASN 98 Cb -0.09 -0.20 0.78 0.00 -0.55 0.00 0.00 41.25 41.19 1xe8 s ASN 98 CO 0.01 0.17 1.98 0.40 -2.79 0.00 0.00 177.10 176.87 1xe8 h ILE 99 N 4.54 1.04 -2.53 -5.21 1.08 -0.67 0.26 117.51 116.01 1xe8 h ILE 99 Ca -0.39 -0.24 -0.55 0.00 -0.39 0.00 0.00 64.86 63.29 1xe8 h ILE 99 Cb 1.16 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 1xe8 h ILE 99 CO 0.46 0.13 -0.54 0.20 -0.69 0.00 0.00 178.15 177.70 1xe8 s ASN 100 N -6.32 5.62 0.57 1.72 0.01 -1.26 -4.13 114.94 111.14 1xe8 s ASN 100 Ca -0.09 -0.13 -0.19 0.00 -0.71 0.00 0.00 52.86 51.73 1xe8 s ASN 100 Cb 0.19 -1.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.32 1xe8 s ASN 100 CO 0.76 0.03 1.19 0.00 -1.51 0.00 0.00 177.10 177.57 1xe8 s ARG 101 N -3.35 3.14 -0.08 -0.60 1.70 -1.26 -3.94 118.95 114.56 1xe8 s ARG 101 Ca 0.32 1.78 0.01 0.00 -0.47 0.00 0.00 55.73 57.37 1xe8 s ARG 101 Cb -0.09 -2.00 0.02 0.00 -0.57 0.00 0.00 34.95 32.31 1xe8 s ARG 101 CO 0.24 -1.06 -0.09 0.42 -1.08 0.00 0.00 175.30 173.74 1xe8 s ILE 102 N -1.62 0.97 -0.15 4.99 1.01 -0.91 -4.23 121.20 121.26 1xe8 s ILE 102 Ca 0.75 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.80 1xe8 s ILE 102 Cb -0.29 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1xe8 s ILE 102 CO 0.32 0.33 0.87 -0.63 0.00 0.00 0.00 174.94 175.83 1xe8 s ILE 103 N 1.07 4.86 -0.13 2.92 1.01 -0.76 -2.30 121.20 127.87 1xe8 s ILE 103 Ca -0.07 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 1xe8 s ILE 103 Cb -0.14 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 1xe8 s ILE 103 CO -0.01 0.03 -0.11 -1.00 0.00 0.00 0.00 174.94 173.86 1xe8 s HIS 104 N 2.03 2.85 -0.20 3.97 3.76 0.12 -1.48 115.29 126.34 1xe8 s HIS 104 Ca 0.41 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1xe8 s HIS 104 Cb -0.17 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.71 1xe8 s HIS 104 CO 0.14 -0.13 -0.14 0.42 -0.85 0.00 0.00 174.74 174.18 1xe8 s ILE 105 N 0.24 1.89 0.05 0.60 -1.09 0.20 -1.42 121.20 121.66 1xe8 s ILE 105 Ca -0.07 -1.09 -0.31 0.00 -2.23 0.00 0.00 60.65 56.95 1xe8 s ILE 105 Cb -0.15 -1.87 -0.07 0.00 -1.58 0.00 0.00 42.46 38.80 1xe8 s ILE 105 CO 0.05 0.27 1.41 -0.22 -1.23 0.00 0.00 174.94 175.22 1xe8 s LEU 106 N 1.30 4.34 -0.13 2.97 2.96 0.31 -1.18 118.68 129.26 1xe8 s LEU 106 Ca -0.00 2.22 -0.09 0.00 -0.22 0.00 0.00 54.13 56.04 1xe8 s LEU 106 Cb -0.16 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 1xe8 s LEU 106 CO -0.09 -0.70 -0.20 0.00 -1.32 0.00 0.00 176.35 174.03 1xe8 n GLN 107 N 4.84 0.32 -3.76 1.98 6.02 -0.31 -4.95 117.38 121.53 1xe8 n GLN 107 Ca 0.13 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1xe8 n GLN 107 Cb 0.43 -1.05 -0.09 0.00 1.02 0.00 0.00 30.24 30.54 1xe8 n GLN 107 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xe8 s ARG 108 N -2.35 0.56 0.35 -1.09 0.52 0.07 -5.00 118.95 112.00 1xe8 s ARG 108 Ca -0.20 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1xe8 s ARG 108 Cb 0.07 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.79 1xe8 s ARG 108 CO 0.27 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1xe8 n GLY 109 N 1.95 -0.32 3.40 -3.53 0.00 -1.26 0.18 105.19 105.61 1xe8 n GLY 109 Ca -0.18 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 1xe8 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe8 s LYS 110 N 0.00 0.93 0.11 1.61 1.02 -1.24 -4.70 119.74 117.47 1xe8 s LYS 110 Ca 0.00 0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.74 1xe8 s LYS 110 Cb 0.00 0.43 0.08 0.00 -0.52 0.00 0.00 37.83 37.82 1xe8 s LYS 110 CO 0.00 -0.29 1.09 0.20 -0.92 0.00 0.00 175.35 175.42 1xe8 s GLY 111 N -1.40 -0.18 -0.00 -3.33 0.00 -0.89 -2.77 107.32 98.75 1xe8 s GLY 111 Ca -0.11 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.80 1xe8 s GLY 111 CO 0.06 1.03 -0.13 1.62 0.00 0.00 0.00 173.10 175.67 1xe8 s GLN 112 N -2.69 1.05 -0.09 2.90 0.74 0.39 0.23 119.66 122.19 1xe8 s GLN 112 Ca 0.16 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1xe8 s GLN 112 Cb -0.00 -1.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.06 1xe8 s GLN 112 CO 0.01 0.28 -0.08 0.71 -0.55 0.00 0.00 175.29 175.65 1xe8 s TYR 113 N -0.40 2.90 -0.13 1.67 1.51 -0.51 -1.14 117.35 121.25 1xe8 s TYR 113 Ca 0.04 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1xe8 s TYR 113 Cb -0.06 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1xe8 s TYR 113 CO -0.00 0.17 -0.13 0.08 -1.11 0.00 0.00 175.55 174.56 1xe8 s VAL 114 N -0.44 1.41 -0.01 0.71 1.01 -0.66 -1.72 120.40 120.71 1xe8 s VAL 114 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1xe8 s VAL 114 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1xe8 s VAL 114 CO 0.02 0.43 -0.09 -1.48 0.00 0.00 0.00 175.10 173.98 1xe8 s LEU 115 N 1.35 2.02 -0.17 3.92 2.34 -0.05 -0.86 118.68 127.23 1xe8 s LEU 115 Ca 0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 54.13 54.01 1xe8 s LEU 115 Cb -0.13 -0.48 -0.00 0.00 -0.56 0.00 0.00 46.19 45.02 1xe8 s LEU 115 CO -0.07 0.11 -0.12 -0.69 -1.06 0.00 0.00 176.35 174.52 1xe8 s VAL 116 N -0.24 2.88 0.49 1.48 1.01 0.03 -0.84 120.40 125.22 1xe8 s VAL 116 Ca 0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1xe8 s VAL 116 Cb -0.04 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1xe8 s VAL 116 CO -0.00 0.50 0.87 -0.31 0.00 0.00 0.00 175.10 176.15 1xe8 s TYR 117 N 0.92 3.52 0.43 5.22 1.51 0.15 -1.79 117.35 127.32 1xe8 s TYR 117 Ca -0.03 1.11 0.13 0.00 -1.01 0.00 0.00 57.07 57.28 1xe8 s TYR 117 Cb -0.15 -2.53 1.01 0.00 -0.11 0.00 0.00 41.96 40.18 1xe8 s TYR 117 CO -0.01 -0.32 1.98 -1.00 -1.11 0.00 0.00 175.55 175.09 1xe8 h PRO 118 N 0.60 0.42 0.00 -1.71 0.13 -1.89 0.19 132.00 129.75 1xe8 h PRO 118 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xe8 h PRO 118 Cb 1.19 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xe8 h PRO 118 CO 0.62 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.28 1xe8 n ASP 119 N -4.47 0.00 0.00 1.44 5.75 -1.26 -4.82 116.55 113.19 1xe8 n ASP 119 Ca 0.10 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 1xe8 n ASP 119 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1xe8 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xe8 n GLY 120 N -0.04 1.00 3.75 6.12 0.00 0.66 -5.03 105.19 111.65 1xe8 n GLY 120 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1xe8 n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xe8 s GLN 121 N -0.78 2.97 -0.08 1.61 0.74 -1.25 -4.63 119.66 118.23 1xe8 s GLN 121 Ca 0.00 2.02 0.01 0.00 0.05 0.00 0.00 55.36 57.43 1xe8 s GLN 121 Cb 0.00 -2.04 0.02 0.00 1.10 0.00 0.00 33.01 32.09 1xe8 s GLN 121 CO 0.00 -1.26 -0.08 0.08 -0.55 0.00 0.00 175.29 173.48 1xe8 s VAL 122 N -1.44 0.95 0.07 1.34 1.01 -1.26 -0.67 120.40 120.39 1xe8 s VAL 122 Ca 0.76 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1xe8 s VAL 122 Cb -0.35 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1xe8 s VAL 122 CO 0.39 0.34 -0.14 -1.59 0.00 0.00 0.00 175.10 174.10 1xe8 s LYS 123 N 1.24 0.80 0.01 2.72 -2.85 -0.02 0.18 119.74 121.82 1xe8 s LYS 123 Ca -0.04 -0.93 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 1xe8 s LYS 123 Cb -0.14 -0.79 -0.01 0.00 -2.06 0.00 0.00 37.83 34.83 1xe8 s LYS 123 CO -0.03 0.17 -0.06 0.45 0.10 0.00 0.00 175.35 175.98 1xe8 s SER 124 N -1.69 0.74 -0.09 0.03 0.15 -0.88 -0.87 113.70 111.09 1xe8 s SER 124 Ca -0.02 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 1xe8 s SER 124 Cb -0.10 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1xe8 s SER 124 CO 0.02 -0.01 0.40 0.72 1.20 0.00 0.00 173.24 175.57 1xe8 s PHE 125 N -0.51 -0.36 0.33 3.44 -0.12 -0.70 -4.00 117.98 116.06 1xe8 s PHE 125 Ca -0.01 0.76 -0.17 0.00 -0.05 0.00 0.00 56.93 57.46 1xe8 s PHE 125 Cb -0.05 0.16 -0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1xe8 s PHE 125 CO 0.00 -0.33 0.78 0.15 -0.05 0.00 0.00 175.22 175.77 1xe8 s LYS 126 N -0.58 4.09 -0.14 1.99 1.02 -1.26 -1.43 119.74 123.43 1xe8 s LYS 126 Ca -0.07 0.79 -0.00 0.00 0.02 0.00 0.00 55.97 56.71 1xe8 s LYS 126 Cb -0.04 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1xe8 s LYS 126 CO 0.03 0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.56 1xe8 s VAL 127 N -1.96 2.91 0.00 3.17 1.01 0.14 -2.68 120.40 122.99 1xe8 s VAL 127 Ca 0.54 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1xe8 s VAL 127 Cb -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1xe8 s VAL 127 CO 0.17 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1xe8 n GLY 128 N 3.80 -0.23 0.02 4.51 0.00 -0.65 -2.08 105.19 110.55 1xe8 n GLY 128 Ca -0.18 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1xe8 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xe8 n PHE 129 N -0.21 0.19 -0.05 1.61 0.99 -1.26 -2.98 117.46 115.75 1xe8 n PHE 129 Ca 0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 57.45 57.43 1xe8 n PHE 129 Cb 0.00 -0.42 -0.01 0.00 -1.00 0.00 0.00 39.48 38.04 1xe8 n PHE 129 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xe8 h ASP 130 N 0.00 -0.65 0.00 4.37 1.82 -1.96 -3.43 116.42 116.57 1xe8 h ASP 130 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1xe8 h ASP 130 Cb 0.58 0.32 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1xe8 h ASP 130 CO 0.00 -0.24 0.00 0.00 -1.61 0.00 0.00 179.24 177.39 1xe8 n TYR 131 N -5.35 0.00 0.20 0.28 0.18 -1.15 -3.92 117.16 107.39 1xe8 n TYR 131 Ca -0.01 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.83 1xe8 n TYR 131 Cb 0.27 0.00 0.41 0.00 -0.38 0.00 0.00 39.34 39.63 1xe8 n TYR 131 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1xe8 h LYS 132 N 0.00 0.00 -0.52 -3.48 1.57 -1.86 -1.80 116.57 110.48 1xe8 h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xe8 h LYS 132 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xe8 h LYS 132 CO 0.00 0.34 0.00 0.09 -0.57 0.00 0.00 179.45 179.31 1xe8 n ASN 133 N -3.67 5.18 0.00 0.86 3.02 -1.25 -4.95 115.26 114.45 1xe8 n ASN 133 Ca -0.01 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1xe8 n ASN 133 Cb 0.44 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1xe8 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xe8 n GLY 134 N 0.49 0.61 3.82 7.41 0.00 -0.68 -5.05 105.19 111.78 1xe8 n GLY 134 Ca 0.26 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1xe8 n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xe8 s GLU 135 N -0.36 4.25 0.02 1.61 2.02 -1.26 -4.68 118.70 120.30 1xe8 s GLU 135 Ca 0.00 0.98 0.06 0.00 0.02 0.00 0.00 54.97 56.03 1xe8 s GLU 135 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1xe8 s GLU 135 CO 0.00 0.19 -0.16 0.54 0.02 0.00 0.00 175.26 175.85 1xe8 s VAL 136 N -1.85 2.94 -0.04 2.63 0.11 -1.09 -2.94 120.40 120.15 1xe8 s VAL 136 Ca 0.53 -1.03 0.22 0.00 -2.93 0.00 0.00 61.98 58.76 1xe8 s VAL 136 Cb -0.13 -2.22 -0.34 0.00 -1.53 0.00 0.00 36.38 32.16 1xe8 s VAL 136 CO 0.18 0.40 0.48 -1.20 -3.33 0.00 0.00 175.10 171.64 1xe8 n SER 137 N 1.73 0.05 -4.05 3.54 7.64 -1.24 -1.64 113.62 119.65 1xe8 n SER 137 Ca -0.16 -0.01 -0.18 0.00 1.01 0.00 0.00 58.87 59.53 1xe8 n SER 137 Cb 0.52 1.98 -0.14 0.00 -1.01 0.00 0.00 64.21 65.57 1xe8 n SER 137 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xe8 s GLN 138 N -3.50 0.71 -0.27 1.43 -0.21 -1.26 -0.53 119.66 116.03 1xe8 s GLN 138 Ca -0.08 -0.49 -0.23 0.00 0.02 0.00 0.00 55.36 54.59 1xe8 s GLN 138 Cb 0.14 -0.66 0.07 0.00 1.00 0.00 0.00 33.01 33.56 1xe8 s GLN 138 CO 0.90 0.17 0.70 1.67 -2.12 0.00 0.00 175.29 176.61 1xe8 s TRP 139 N -0.56 -0.84 -0.17 0.91 -2.14 -0.51 -4.99 118.94 110.65 1xe8 s TRP 139 Ca 0.01 1.94 -0.02 0.00 2.66 0.00 0.00 56.10 60.69 1xe8 s TRP 139 Cb -0.05 0.34 -0.01 0.00 -3.10 0.00 0.00 33.47 30.64 1xe8 s TRP 139 CO 0.00 -0.41 -0.08 0.08 -2.66 0.00 0.00 176.95 173.88 1xe8 s VAL 140 N 0.64 3.32 -0.24 -0.66 1.01 -1.26 0.15 120.40 123.36 1xe8 s VAL 140 Ca -0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1xe8 s VAL 140 Cb -0.05 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1xe8 s VAL 140 CO -0.03 0.48 -0.01 0.68 0.00 0.00 0.00 175.10 176.22 1xe8 s VAL 141 N 0.77 3.51 0.59 2.92 -7.23 -0.97 -4.97 120.40 115.02 1xe8 s VAL 141 Ca -0.03 -0.56 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 1xe8 s VAL 141 Cb -0.15 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 1xe8 s VAL 141 CO 0.02 0.33 0.87 -2.65 -0.31 0.00 0.00 175.10 173.35 1xe8 n PRO 142 N 4.81 0.82 -1.53 4.82 -0.02 -1.26 -2.14 135.00 140.49 1xe8 n PRO 142 Ca -0.17 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 1xe8 n PRO 142 Cb 0.50 -2.06 0.09 0.00 -0.02 0.00 0.00 33.50 32.01 1xe8 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xe8 n GLY 143 N 1.40 0.33 2.47 -1.23 0.00 -1.25 -2.80 105.19 104.10 1xe8 n GLY 143 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xe8 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe8 n GLY 144 N 0.83 0.86 3.54 -0.02 0.00 0.90 -4.91 105.19 106.39 1xe8 n GLY 144 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1xe8 n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe8 s VAL 145 N -3.39 4.56 0.21 1.61 1.01 -1.12 -4.43 120.40 118.84 1xe8 s VAL 145 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1xe8 s VAL 145 Cb 0.00 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 1xe8 s VAL 145 CO 0.00 0.39 1.38 -0.36 0.00 0.00 0.00 175.10 176.51 1xe8 s PHE 146 N 1.04 3.15 0.04 5.22 0.40 -0.74 -4.50 117.98 122.60 1xe8 s PHE 146 Ca 0.04 1.09 0.03 0.00 -0.60 0.00 0.00 56.93 57.49 1xe8 s PHE 146 Cb -0.14 -3.71 -0.02 0.00 0.51 0.00 0.00 43.02 39.66 1xe8 s PHE 146 CO 0.03 -2.32 -0.09 -1.59 0.70 0.00 0.00 175.22 171.95 1xe8 s LYS 147 N -0.02 0.61 0.17 0.44 -2.85 0.06 -0.79 119.74 117.37 1xe8 s LYS 147 Ca 0.59 -0.71 -0.04 0.00 -1.00 0.00 0.00 55.97 54.81 1xe8 s LYS 147 Cb -0.39 -0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 34.87 1xe8 s LYS 147 CO 0.39 0.10 0.18 0.00 0.10 0.00 0.00 175.35 176.12 1xe8 s ALA 148 N -1.11 0.59 -0.15 0.59 0.00 -0.04 -1.73 121.76 119.90 1xe8 s ALA 148 Ca -0.05 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 1xe8 s ALA 148 Cb -0.09 1.01 0.07 0.00 0.00 0.00 0.00 23.12 24.12 1xe8 s ALA 148 CO 0.01 -0.59 0.72 -1.54 0.00 0.00 0.00 175.76 174.36 1xe8 s SER 149 N -3.05 -0.67 0.06 0.00 1.04 -0.64 -1.66 113.70 108.78 1xe8 s SER 149 Ca 0.26 1.00 0.04 0.00 0.48 0.00 0.00 55.95 57.73 1xe8 s SER 149 Cb 0.05 0.91 -0.03 0.00 0.10 0.00 0.00 66.02 67.06 1xe8 s SER 149 CO 0.04 -0.44 -0.13 0.72 0.98 0.00 0.00 173.24 174.42 1xe8 s PHE 150 N -0.51 1.10 0.22 5.02 -0.71 -0.29 -0.18 117.98 122.63 1xe8 s PHE 150 Ca -0.06 -0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 55.09 1xe8 s PHE 150 Cb -0.02 -0.63 -0.08 0.00 -1.21 0.00 0.00 43.02 41.07 1xe8 s PHE 150 CO 0.05 0.03 1.17 -1.17 -1.34 0.00 0.00 175.22 173.96 1xe8 s LEU 151 N -1.57 4.48 0.01 -1.99 1.98 -0.34 -0.46 118.68 120.78 1xe8 s LEU 151 Ca -0.03 2.25 0.02 0.00 -2.89 0.00 0.00 54.13 53.48 1xe8 s LEU 151 Cb -0.09 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 43.11 1xe8 s LEU 151 CO 0.02 -0.30 -0.02 -0.76 -1.89 0.00 0.00 176.35 173.40 1xe8 s LEU 152 N -0.65 3.41 0.42 -0.68 1.43 -1.11 -4.72 118.68 116.78 1xe8 s LEU 152 Ca 0.50 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 1xe8 s LEU 152 Cb -0.32 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 1xe8 s LEU 152 CO 0.38 0.27 1.41 -2.16 0.23 0.00 0.00 176.35 176.49 1xe8 s PRO 153 N -1.57 3.89 -0.28 1.29 0.04 -1.26 -4.56 135.00 132.55 1xe8 s PRO 153 Ca 0.19 2.39 -0.23 0.00 0.04 0.00 0.00 61.00 63.39 1xe8 s PRO 153 Cb -0.11 -2.78 0.10 0.00 0.04 0.00 0.00 34.50 31.75 1xe8 s PRO 153 CO 0.10 -0.64 0.88 0.54 0.04 0.00 0.00 177.00 177.92 1xe8 s ASN 154 N -0.46 -0.61 0.10 6.66 2.20 -1.26 -4.93 114.94 116.64 1xe8 s ASN 154 Ca 0.57 1.14 -0.02 0.00 -0.94 0.00 0.00 52.86 53.60 1xe8 s ASN 154 Cb -0.43 1.17 -0.19 0.00 -2.00 0.00 0.00 41.25 39.80 1xe8 s ASN 154 CO 0.56 -0.19 1.22 -0.33 -2.94 0.00 0.00 177.10 175.42 1xe8 h GLU 155 N 4.95 0.27 0.00 3.55 5.08 -1.97 -0.58 114.58 125.89 1xe8 h GLU 155 Ca -0.29 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1xe8 h GLU 155 Cb 1.18 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1xe8 h GLU 155 CO 0.10 1.14 0.22 1.05 -1.00 0.00 0.00 179.01 180.52 1xe8 h GLU 156 N 0.11 0.00 -0.16 2.33 4.11 -1.97 -2.95 114.58 116.05 1xe8 h GLU 156 Ca -0.10 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.14 1xe8 h GLU 156 Cb 1.80 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.76 1xe8 h GLU 156 CO 0.18 0.00 -0.76 0.34 0.07 0.00 0.00 179.01 178.84 1xe8 n PHE 157 N -2.29 -0.07 -4.14 2.06 7.35 -1.25 -4.83 117.46 114.30 1xe8 n PHE 157 Ca -0.01 -1.40 -0.31 0.00 -0.76 0.00 0.00 57.45 54.97 1xe8 n PHE 157 Cb 0.25 0.36 -0.05 0.00 0.35 0.00 0.00 39.48 40.38 1xe8 n PHE 157 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1xe8 n ASP 158 N -0.50 -0.34 -3.76 -2.13 8.00 -1.12 -0.10 116.55 116.61 1xe8 n ASP 158 Ca -0.05 -1.18 -0.26 0.00 0.71 0.00 0.00 54.79 54.01 1xe8 n ASP 158 Cb 0.88 -2.19 0.05 0.00 -0.02 0.00 0.00 41.12 39.84 1xe8 n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xe8 n ASN 159 N -2.83 -4.63 -4.60 -2.24 3.02 -0.23 -4.89 115.26 98.86 1xe8 n ASN 159 Ca -0.29 -0.70 -0.26 0.00 -0.03 0.00 0.00 54.58 53.30 1xe8 n ASN 159 Cb 0.68 -4.35 -0.09 0.00 -0.61 0.00 0.00 39.78 35.41 1xe8 n ASN 159 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xe8 s GLY 160 N -3.53 1.72 -0.21 7.41 0.00 0.86 -4.07 107.32 109.50 1xe8 s GLY 160 Ca 0.51 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1xe8 s GLY 160 CO 0.79 -1.53 0.05 -0.12 0.00 0.00 0.00 173.10 172.29 1xe8 s PHE 161 N -1.84 1.05 -0.14 1.90 5.36 -0.75 -3.58 117.98 119.97 1xe8 s PHE 161 Ca 0.27 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1xe8 s PHE 161 Cb -0.08 -1.09 0.01 0.00 -0.34 0.00 0.00 43.02 41.52 1xe8 s PHE 161 CO 0.17 -0.65 -0.21 -1.17 -1.46 0.00 0.00 175.22 171.90 1xe8 s LEU 162 N 1.85 2.09 0.29 6.12 1.98 0.13 -1.07 118.68 130.06 1xe8 s LEU 162 Ca 0.01 -0.60 0.04 0.00 -2.89 0.00 0.00 54.13 50.69 1xe8 s LEU 162 Cb -0.17 -1.43 -0.03 0.00 0.66 0.00 0.00 46.19 45.21 1xe8 s LEU 162 CO -0.11 0.06 0.22 0.27 -1.89 0.00 0.00 176.35 174.90 1xe8 s ILE 163 N 0.90 0.05 0.02 6.68 -4.36 -0.44 -0.75 121.20 123.30 1xe8 s ILE 163 Ca -0.05 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.38 1xe8 s ILE 163 Cb -0.15 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 1xe8 s ILE 163 CO -0.04 0.00 -0.13 -0.44 0.24 0.00 0.00 174.94 174.58 1xe8 s SER 164 N -3.31 1.49 0.09 4.36 0.01 -0.33 -1.08 113.70 114.93 1xe8 s SER 164 Ca 0.39 -0.38 0.10 0.00 1.31 0.00 0.00 55.95 57.37 1xe8 s SER 164 Cb 0.04 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1xe8 s SER 164 CO 0.22 0.05 -0.26 -1.61 0.41 0.00 0.00 173.24 172.05 1xe8 s GLU 165 N -0.87 1.55 -0.08 12.44 2.02 -0.92 -0.63 118.70 132.20 1xe8 s GLU 165 Ca 0.02 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 1xe8 s GLU 165 Cb -0.07 -1.87 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1xe8 s GLU 165 CO 0.01 0.46 -0.00 0.08 0.02 0.00 0.00 175.26 175.82 1xe8 s VAL 166 N -0.94 0.44 -0.12 2.63 1.01 -0.55 -1.79 120.40 121.09 1xe8 s VAL 166 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1xe8 s VAL 166 Cb -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1xe8 s VAL 166 CO 0.04 0.25 -0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1xe8 s VAL 167 N 1.94 2.99 -0.02 2.92 1.01 -0.39 -1.83 120.40 127.01 1xe8 s VAL 167 Ca 0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1xe8 s VAL 167 Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1xe8 s VAL 167 CO -0.06 0.53 0.03 0.54 0.00 0.00 0.00 175.10 176.15 1xe8 s VAL 168 N 0.22 -0.06 0.83 2.92 0.11 -1.26 -1.50 120.40 121.66 1xe8 s VAL 168 Ca -0.09 0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 1xe8 s VAL 168 Cb -0.15 -0.09 0.08 0.00 -1.53 0.00 0.00 36.38 34.68 1xe8 s VAL 168 CO 0.05 0.10 1.07 -2.65 -3.33 0.00 0.00 175.10 170.35 1xe8 n PRO 169 N 4.34 0.08 -1.45 1.54 -0.02 -1.26 -4.63 135.00 133.61 1xe8 n PRO 169 Ca -0.25 0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 60.95 1xe8 n PRO 169 Cb 0.50 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1xe8 n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xe8 n GLY 170 N 0.70 -1.57 3.55 -1.23 0.00 0.43 -4.78 105.19 102.29 1xe8 n GLY 170 Ca 0.13 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1xe8 n GLY 170 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xe8 n PHE 171 N -1.73 0.33 -3.67 1.61 7.35 -1.26 -4.64 117.46 115.44 1xe8 n PHE 171 Ca 0.11 0.49 -0.11 0.00 -0.76 0.00 0.00 57.45 57.18 1xe8 n PHE 171 Cb 0.48 -2.09 -0.09 0.00 0.35 0.00 0.00 39.48 38.13 1xe8 n PHE 171 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xe8 s ASP 172 N -1.05 -0.66 0.58 -2.13 -1.08 -1.26 -4.89 116.67 106.18 1xe8 s ASP 172 Ca 0.69 1.18 0.30 0.00 -0.52 0.00 0.00 52.55 54.20 1xe8 s ASP 172 Cb -0.48 1.14 1.43 0.00 -1.46 0.00 0.00 42.92 43.54 1xe8 s ASP 172 CO 0.53 -0.21 1.82 -0.26 0.52 0.00 0.00 175.17 177.57 1xe8 h PHE 173 N 6.04 0.00 0.00 -5.34 -1.00 -1.95 0.16 116.94 114.84 1xe8 h PHE 173 Ca -0.30 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.36 1xe8 h PHE 173 Cb 1.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.73 1xe8 h PHE 173 CO 0.28 0.00 -0.56 0.93 -1.61 0.00 0.00 178.31 177.35 1xe8 h GLU 174 N 0.00 0.00 -0.33 1.51 5.08 -2.01 -2.87 114.58 115.96 1xe8 h GLU 174 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1xe8 h GLU 174 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1xe8 h GLU 174 CO -0.00 0.56 0.00 -0.25 -1.00 0.00 0.00 179.01 178.32 1xe8 n ASP 175 N -3.44 1.36 -4.22 1.42 8.00 0.56 -4.82 116.55 115.41 1xe8 n ASP 175 Ca 0.00 -2.05 -0.26 0.00 0.71 0.00 0.00 54.79 53.20 1xe8 n ASP 175 Cb 0.67 -0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 41.41 1xe8 n ASP 175 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xe8 s HIS 176 N -1.68 1.75 -0.27 1.24 2.46 -1.08 0.13 115.29 117.83 1xe8 s HIS 176 Ca 0.15 -0.35 -0.22 0.00 0.47 0.00 0.00 55.06 55.11 1xe8 s HIS 176 Cb 0.08 -1.09 0.08 0.00 -0.13 0.00 0.00 32.58 31.52 1xe8 s HIS 176 CO 0.09 0.02 0.73 0.95 -2.47 0.00 0.00 174.74 174.05 1xe8 s THR 177 N -0.60 0.00 0.27 0.89 -4.23 -0.58 -4.99 115.64 106.40 1xe8 s THR 177 Ca 0.07 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.65 1xe8 s THR 177 Cb -0.08 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1xe8 s THR 177 CO 0.00 0.00 0.30 0.72 -0.54 0.00 0.00 174.62 175.10 1xe8 s PHE 178 N 0.85 3.20 0.18 3.99 -0.12 -1.26 0.58 117.98 125.40 1xe8 s PHE 178 Ca -0.04 -0.12 -0.30 0.00 -0.05 0.00 0.00 56.93 56.42 1xe8 s PHE 178 Cb -0.05 -1.59 -0.09 0.00 -0.63 0.00 0.00 43.02 40.66 1xe8 s PHE 178 CO -0.07 0.38 1.37 -1.17 -0.05 0.00 0.00 175.22 175.67 1xe8 s LEU 179 N -3.95 4.40 0.00 -1.99 2.96 -0.36 -4.90 118.68 114.84 1xe8 s LEU 179 Ca 0.36 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.68 1xe8 s LEU 179 Cb -0.08 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1xe8 s LEU 179 CO 0.27 -0.61 1.01 0.11 -1.32 0.00 0.00 176.35 175.81 1xe8 h LYS 180 N 5.80 -0.08 0.00 1.98 1.57 -1.96 -3.39 116.57 120.49 1xe8 h LYS 180 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1xe8 h LYS 180 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1xe8 h LYS 180 CO 0.81 -0.05 0.00 0.41 -0.57 0.00 0.00 179.45 180.04 1xe8 n GLY 181 N -0.96 2.13 0.32 3.86 0.00 -1.26 -4.12 105.19 105.15 1xe8 n GLY 181 Ca -0.01 -0.93 0.21 0.00 0.00 0.00 0.00 46.02 45.29 1xe8 n GLY 181 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xe8 h GLU 182 N 0.00 0.00 -0.55 1.61 4.81 -1.93 -0.98 114.58 117.55 1xe8 h GLU 182 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1xe8 h GLU 182 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1xe8 h GLU 182 CO 0.00 0.01 0.00 -0.44 -0.73 0.00 0.00 179.01 177.85 1xe8 h ASP 183 N 0.00 0.91 0.58 1.04 3.32 -1.94 -0.14 116.42 120.19 1xe8 h ASP 183 Ca -0.00 -0.24 -0.23 0.00 0.02 0.00 0.00 57.03 56.58 1xe8 h ASP 183 Cb 0.13 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1xe8 h ASP 183 CO 0.00 0.96 -1.01 -0.08 -1.72 0.00 0.00 179.24 177.39 1xe8 h GLU 184 N 0.86 0.25 -0.66 3.56 4.81 -1.58 -3.04 114.58 118.78 1xe8 h GLU 184 Ca 0.16 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1xe8 h GLU 184 Cb 0.51 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1xe8 h GLU 184 CO 0.02 1.07 0.38 -0.07 -0.73 0.00 0.00 179.01 179.69 1xe8 h LEU 185 N 0.12 0.81 -0.90 1.64 3.38 -1.11 -2.50 115.31 116.76 1xe8 h LEU 185 Ca -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xe8 h LEU 185 Cb 1.68 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 1xe8 h LEU 185 CO 0.16 0.66 0.53 0.11 0.09 0.00 0.00 178.44 179.99 1xe8 h LYS 186 N 0.91 1.22 -1.04 1.13 1.57 -1.02 -1.87 116.57 117.47 1xe8 h LYS 186 Ca 0.24 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xe8 h LYS 186 Cb 0.01 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1xe8 h LYS 186 CO -0.04 0.87 0.00 1.58 -0.57 0.00 0.00 179.45 181.28 1xe8 n HIS 187 N -4.38 0.00 -0.83 -1.35 -0.00 -0.94 -1.98 115.22 105.74 1xe8 n HIS 187 Ca 0.10 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 57.87 1xe8 n HIS 187 Cb 0.07 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.71 1xe8 n HIS 187 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1xe8 n LEU 188 N 0.46 0.00 0.00 0.27 -0.00 -1.15 -4.95 117.00 111.62 1xe8 n LEU 188 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xe8 n LEU 188 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1xe8 n LEU 188 CO 0.00 0.05 -0.09 0.52 -0.00 0.00 0.00 177.39 177.86 1xe8 n VAL 189 N 0.00 0.00 0.00 1.47 0.31 -0.72 -3.82 118.33 115.58 1xe8 n VAL 189 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1xe8 n VAL 189 Cb 0.05 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 1xe8 n VAL 189 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xe8 n GLY 190 N 0.82 1.67 0.30 2.92 0.00 -0.84 -4.41 105.19 105.66 1xe8 n GLY 190 Ca 0.00 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.56 1xe8 n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xe8 h PRO 191 N 0.00 0.42 0.06 1.61 0.13 -1.90 -0.34 132.00 131.97 1xe8 h PRO 191 Ca 0.00 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 1xe8 h PRO 191 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.01 1xe8 h PRO 191 CO 0.00 0.28 -1.41 1.05 -0.23 0.00 0.00 178.00 177.69 1xe8 h GLU 192 N 0.43 0.12 -0.23 0.86 4.11 -1.96 -2.31 114.58 115.59 1xe8 h GLU 192 Ca 0.51 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 59.66 1xe8 h GLU 192 Cb 0.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1xe8 h GLU 192 CO -0.48 0.94 -0.18 -0.22 0.07 0.00 0.00 179.01 179.13 1xe8 h LYS 193 N 0.03 0.41 -0.49 1.06 1.63 -1.73 -1.86 116.57 115.63 1xe8 h LYS 193 Ca -0.18 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 1xe8 h LYS 193 Cb 1.94 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.51 1xe8 h LYS 193 CO 0.13 0.58 0.09 0.00 -3.45 0.00 0.00 179.45 176.81 1xe8 h ALA 194 N 1.44 1.25 -0.27 5.00 0.00 -1.03 -1.81 119.26 123.83 1xe8 h ALA 194 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xe8 h ALA 194 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xe8 h ALA 194 CO 0.04 0.52 0.15 0.00 0.00 0.00 0.00 179.25 179.95 1xe8 h ALA 195 N 1.38 0.35 -0.37 0.00 0.00 -0.76 -0.46 119.26 119.40 1xe8 h ALA 195 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xe8 h ALA 195 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xe8 h ALA 195 CO 0.00 -0.12 0.11 1.49 0.00 0.00 0.00 179.25 180.73 1xe8 h GLU 196 N 0.33 0.53 -0.67 0.00 4.81 -1.04 -2.80 114.58 115.74 1xe8 h GLU 196 Ca 0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xe8 h GLU 196 Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xe8 h GLU 196 CO -0.02 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 180.02 1xe8 n LEU 197 N -4.36 3.65 -0.16 1.64 4.77 -0.72 -4.52 117.00 117.31 1xe8 n LEU 197 Ca 0.02 -1.83 -0.06 0.00 -0.03 0.00 0.00 56.01 54.11 1xe8 n LEU 197 Cb 0.17 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1xe8 n LEU 197 CO 0.37 0.89 1.06 0.00 -1.33 0.00 0.00 177.39 178.38 1xe8 h ALA 198 N 4.21 0.63 0.00 -1.18 0.00 -0.81 -2.36 119.26 119.75 1xe8 h ALA 198 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xe8 h ALA 198 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xe8 h ALA 198 CO 0.02 0.03 0.05 0.27 0.00 0.00 0.00 179.25 179.61 1xe8 h PHE 199 N 0.62 0.00 -0.32 0.00 -5.15 -1.81 -1.73 116.94 108.55 1xe8 h PHE 199 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 1xe8 h PHE 199 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.15 1xe8 h PHE 199 CO -0.05 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.54 1xe8 n LEU 200 N -2.75 2.55 -4.59 2.10 4.77 -0.89 -4.95 117.00 113.25 1xe8 n LEU 200 Ca -0.02 -1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 54.55 1xe8 n LEU 200 Cb 0.10 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 1xe8 n LEU 200 CO 0.15 0.56 -0.23 0.00 -1.33 0.00 0.00 177.39 176.55 1xe8 s ALA 201 N -1.59 3.26 1.00 -1.18 0.00 -0.65 -0.78 121.76 121.82 1xe8 s ALA 201 Ca 0.35 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1xe8 s ALA 201 Cb 0.19 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1xe8 s ALA 201 CO 0.28 -0.22 0.23 0.72 0.00 0.00 0.00 175.76 176.76 1xe8 n HIS 202 N -1.00 -3.96 0.33 0.00 8.25 -1.26 -4.91 115.22 112.66 1xe8 n HIS 202 Ca -0.10 -0.20 0.04 0.00 -0.26 0.00 0.00 57.72 57.20 1xe8 n HIS 202 Cb 0.66 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.62 1xe8 n HIS 202 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59