#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe8 n GLU 7 N 0.00 0.25 -1.80 -1.09 1.02 -1.26 -4.91 120.64 112.84 1xe8 n GLU 7 Ca 0.00 0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 1xe8 n GLU 7 Cb 0.00 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 1xe8 n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xe8 s ALA 8 N -3.14 3.67 0.12 0.62 0.00 -1.26 -4.91 121.76 116.86 1xe8 s ALA 8 Ca 0.07 1.56 -0.31 0.00 0.00 0.00 0.00 51.96 53.27 1xe8 s ALA 8 Cb 0.14 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1xe8 s ALA 8 CO 0.73 -1.00 1.66 0.00 0.00 0.00 0.00 175.76 177.15 1xe8 s ALA 9 N -0.46 3.75 0.16 0.00 0.00 -1.26 -4.92 121.76 119.05 1xe8 s ALA 9 Ca 0.59 1.34 -0.31 0.00 0.00 0.00 0.00 51.96 53.57 1xe8 s ALA 9 Cb -0.47 -3.68 -0.11 0.00 0.00 0.00 0.00 23.12 18.86 1xe8 s ALA 9 CO 0.54 -1.00 1.73 1.21 0.00 0.00 0.00 175.76 178.23 1xe8 s ASN 10 N 1.93 6.44 0.28 0.00 2.47 -1.26 -4.42 114.94 120.39 1xe8 s ASN 10 Ca 0.74 2.76 0.09 0.00 0.42 0.00 0.00 52.86 56.87 1xe8 s ASN 10 Cb -0.43 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 36.74 1xe8 s ASN 10 CO 0.33 -0.95 0.06 0.00 -3.72 0.00 0.00 177.10 172.81 1xe8 s ALA 11 N 1.79 3.29 -0.34 1.71 0.00 0.29 -4.97 121.76 123.54 1xe8 s ALA 11 Ca 0.76 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 1xe8 s ALA 11 Cb -0.47 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1xe8 s ALA 11 CO 0.33 0.20 0.72 0.00 0.00 0.00 0.00 175.76 177.01 1xe8 s ALA 12 N -2.33 3.48 -0.52 0.00 0.00 -1.26 -4.73 121.76 116.39 1xe8 s ALA 12 Ca 0.33 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1xe8 s ALA 12 Cb -0.05 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1xe8 s ALA 12 CO 0.21 -1.29 2.35 0.42 0.00 0.00 0.00 175.76 177.45 1xe8 s ILE 13 N 2.87 3.04 -0.38 0.00 -1.09 -1.26 -4.87 121.20 119.51 1xe8 s ILE 13 Ca 0.29 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1xe8 s ILE 13 Cb -0.14 -3.11 0.15 0.00 -1.58 0.00 0.00 42.46 37.78 1xe8 s ILE 13 CO 0.14 -0.11 0.27 -1.61 -1.23 0.00 0.00 174.94 172.41 1xe8 s GLU 14 N 8.18 0.72 0.51 2.79 2.02 -1.26 -5.14 118.70 126.52 1xe8 s GLU 14 Ca 0.94 -1.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 1xe8 s GLU 14 Cb -0.16 -1.35 0.11 0.00 0.10 0.00 0.00 34.13 32.82 1xe8 s GLU 14 CO 0.24 -1.30 0.24 -2.30 0.02 0.00 0.00 175.26 172.16 1xe8 n PRO 15 N 3.46 -1.04 -4.36 0.39 -0.02 -1.26 -5.06 135.00 127.11 1xe8 n PRO 15 Ca 0.21 -0.40 -0.21 0.00 -2.02 0.00 0.00 63.50 61.08 1xe8 n PRO 15 Cb 0.42 -0.74 -0.08 0.00 -0.02 0.00 0.00 33.50 33.08 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 -2.03 2.16 0.18 3.55 0.00 -1.26 -5.01 121.76 119.35 1xe8 s ALA 16 Ca 0.18 -1.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 1xe8 s ALA 16 Cb -0.03 1.18 0.15 0.00 0.00 0.00 0.00 23.12 24.41 1xe8 s ALA 16 CO 0.15 -0.52 1.64 0.66 0.00 0.00 0.00 175.76 177.69 1xe8 h SER 17 N 2.08 -0.59 -0.29 0.00 4.64 -1.97 -2.50 113.55 114.92 1xe8 h SER 17 Ca -0.31 0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1xe8 h SER 17 Cb 1.25 0.35 -0.06 0.00 -0.31 0.00 0.00 62.40 63.64 1xe8 h SER 17 CO 0.47 -0.20 -0.37 -0.26 -0.87 0.00 0.00 176.83 175.60 1xe8 h PHE 18 N -0.05 -1.13 -0.16 4.77 0.04 -1.90 0.34 116.94 118.85 1xe8 h PHE 18 Ca 0.23 0.06 0.03 0.00 2.80 0.00 0.00 57.97 61.09 1xe8 h PHE 18 Cb 0.41 0.53 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 1xe8 h PHE 18 CO -0.45 -0.31 -0.42 0.28 -0.60 0.00 0.00 178.31 176.80 1xe8 h VAL 19 N -0.24 0.00 -0.35 -0.55 2.07 -1.76 0.37 116.25 115.79 1xe8 h VAL 19 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1xe8 h VAL 19 Cb 0.38 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xe8 h VAL 19 CO -0.41 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.15 1xe8 h LYS 20 N -0.41 0.72 -3.18 1.57 1.57 -1.47 -3.34 116.57 112.03 1xe8 h LYS 20 Ca 0.03 -0.30 -0.65 0.00 -1.87 0.00 0.00 60.65 57.86 1xe8 h LYS 20 Cb 0.50 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.39 1xe8 h LYS 20 CO -0.37 0.91 -0.42 0.08 -0.57 0.00 0.00 179.45 179.08 1xe8 s VAL 21 N -4.66 3.37 0.00 0.50 1.01 0.12 -5.12 120.40 115.61 1xe8 s VAL 21 Ca -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 61.98 57.77 1xe8 s VAL 21 Cb 0.09 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1xe8 s VAL 21 CO 0.81 -1.02 0.00 -0.81 0.00 0.00 0.00 175.10 174.08 1xe8 n PRO 22 N 2.17 2.38 -0.12 2.72 -0.04 0.13 -4.02 135.00 138.22 1xe8 n PRO 22 Ca 0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 1xe8 n PRO 22 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.52 -4.34 0.54 -0.04 -1.26 -4.94 135.00 125.47 1xe8 n PRO 24 Ca 0.00 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 1xe8 n PRO 24 Cb 0.00 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.50 1.34 0.50 0.54 0.41 -1.26 -4.96 118.70 112.77 1xe8 s GLU 25 Ca -0.34 -1.65 -0.14 0.00 -0.41 0.00 0.00 54.97 52.44 1xe8 s GLU 25 Cb 0.12 -0.86 -0.07 0.00 -1.78 0.00 0.00 34.13 31.54 1xe8 s GLU 25 CO 0.43 0.03 0.93 -1.25 -0.49 0.00 0.00 175.26 174.91 1xe8 s PRO 26 N -3.76 3.86 0.36 0.39 0.04 -1.26 -4.53 135.00 130.10 1xe8 s PRO 26 Ca 0.25 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.81 1xe8 s PRO 26 Cb 0.03 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1xe8 s PRO 26 CO 0.08 -0.24 1.45 -1.25 0.04 0.00 0.00 177.00 177.07 1xe8 s PRO 27 N -4.15 4.17 0.07 0.56 0.04 -1.26 -4.53 135.00 129.90 1xe8 s PRO 27 Ca 0.56 2.49 -0.14 0.00 0.04 0.00 0.00 61.00 63.95 1xe8 s PRO 27 Cb -0.10 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1xe8 s PRO 27 CO 0.34 -0.46 0.72 -1.13 0.04 0.00 0.00 177.00 176.51 1xe8 n SER 28 N 0.66 -0.49 -0.25 6.66 3.41 -1.26 -0.34 113.62 122.01 1xe8 n SER 28 Ca 0.01 0.83 0.04 0.00 -0.26 0.00 0.00 58.87 59.48 1xe8 n SER 28 Cb 0.40 -0.11 0.16 0.00 -0.26 0.00 0.00 64.21 64.40 1xe8 n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xe8 h SER 29 N 0.00 0.34 -0.16 4.04 4.64 -1.98 0.30 113.55 120.73 1xe8 h SER 29 Ca 0.07 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 1xe8 h SER 29 Cb 0.19 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xe8 h SER 29 CO -0.43 0.16 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.27 1xe8 h LEU 30 N 0.50 0.59 -1.17 5.97 3.38 -1.03 -2.56 115.31 120.97 1xe8 h LEU 30 Ca 0.38 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xe8 h LEU 30 Cb 0.52 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1xe8 h LEU 30 CO -0.35 1.04 0.59 -0.61 0.09 0.00 0.00 178.44 179.20 1xe8 h GLN 31 N 0.16 0.88 -0.50 1.13 5.75 -0.03 0.27 115.11 122.79 1xe8 h GLN 31 Ca 0.00 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1xe8 h GLN 31 Cb 0.96 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1xe8 h GLN 31 CO 0.08 0.59 -0.03 0.37 -2.65 0.00 0.00 178.83 177.18 1xe8 h GLN 32 N 0.91 0.90 -0.49 1.69 4.15 -0.36 -0.25 115.11 121.66 1xe8 h GLN 32 Ca 0.42 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1xe8 h GLN 32 Cb 0.40 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1xe8 h GLN 32 CO -0.18 0.95 0.17 1.25 -1.93 0.00 0.00 178.83 179.09 1xe8 h LEU 33 N 0.76 0.70 -0.33 -2.39 5.85 -0.75 0.15 115.31 119.30 1xe8 h LEU 33 Ca 0.14 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xe8 h LEU 33 Cb 0.56 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1xe8 h LEU 33 CO 0.03 0.70 0.11 0.40 -0.34 0.00 0.00 178.44 179.35 1xe8 h ILE 34 N 0.66 0.91 -0.10 4.05 2.04 -0.12 -0.08 117.51 124.86 1xe8 h ILE 34 Ca 0.16 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1xe8 h ILE 34 Cb 0.24 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1xe8 h ILE 34 CO -0.01 0.05 0.01 0.78 0.00 0.00 0.00 178.15 178.98 1xe8 h ASN 35 N 0.25 0.16 -0.66 1.72 2.35 -0.59 -0.45 115.58 118.37 1xe8 h ASN 35 Ca 0.15 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1xe8 h ASN 35 Cb 0.12 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1xe8 h ASN 35 CO -0.15 0.39 0.39 0.44 -1.65 0.00 0.00 177.43 176.85 1xe8 h ASP 36 N -0.07 0.79 0.01 5.81 3.32 -0.54 -2.06 116.42 123.68 1xe8 h ASP 36 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1xe8 h ASP 36 Cb 0.30 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xe8 h ASP 36 CO 0.00 0.63 -0.01 0.79 -1.72 0.00 0.00 179.24 178.93 1xe8 n TRP 37 N -4.57 0.00 -3.58 4.55 7.02 -0.06 -4.94 117.44 115.87 1xe8 n TRP 37 Ca 0.05 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.26 1xe8 n TRP 37 Cb 0.06 -0.01 0.05 0.00 -2.42 0.00 0.00 31.31 28.99 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 -0.22 -1.65 -3.44 -0.99 7.27 -0.40 -4.95 117.38 113.01 1xe8 n GLN 38 Ca 0.20 0.56 -0.38 0.00 0.07 0.00 0.00 57.00 57.46 1xe8 n GLN 38 Cb 0.28 -4.58 -0.06 0.00 2.41 0.00 0.00 30.24 28.29 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 -6.23 4.37 0.01 1.69 1.43 -0.31 -4.88 118.68 114.76 1xe8 s LEU 39 Ca 0.45 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1xe8 s LEU 39 Cb -0.13 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1xe8 s LEU 39 CO 0.83 0.18 0.03 -0.63 0.23 0.00 0.00 176.35 176.99 1xe8 s ILE 40 N -0.25 4.33 0.02 -0.59 1.09 -0.76 -4.79 121.20 120.25 1xe8 s ILE 40 Ca 0.23 -0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 58.88 1xe8 s ILE 40 Cb -0.16 -2.97 -0.07 0.00 -1.06 0.00 0.00 42.46 38.20 1xe8 s ILE 40 CO 0.11 0.32 1.65 -0.75 -0.10 0.00 0.00 174.94 176.17 1xe8 s LYS 41 N -1.75 4.20 0.39 2.79 2.20 -1.26 -0.75 119.74 125.55 1xe8 s LYS 41 Ca 0.22 2.26 -0.23 0.00 -0.36 0.00 0.00 55.97 57.86 1xe8 s LYS 41 Cb -0.12 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 1xe8 s LYS 41 CO 0.13 -0.77 0.96 -1.58 -0.36 0.00 0.00 175.35 173.73 1xe8 s HIS 42 N 3.24 3.43 0.20 4.03 5.65 0.18 -4.92 115.29 127.09 1xe8 s HIS 42 Ca 0.74 1.68 -0.16 0.00 0.25 0.00 0.00 55.06 57.56 1xe8 s HIS 42 Cb -0.37 -2.92 0.20 0.00 -1.18 0.00 0.00 32.58 28.31 1xe8 s HIS 42 CO 0.31 -0.09 1.61 -0.09 -0.65 0.00 0.00 174.74 175.83 1xe8 h ARG 43 N 2.41 -0.07 0.00 2.88 2.43 -1.93 0.57 114.38 120.67 1xe8 h ARG 43 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1xe8 h ARG 43 Cb 1.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1xe8 h ARG 43 CO 0.62 -0.05 0.00 0.39 -1.51 0.00 0.00 179.97 179.43 1xe8 n GLU 44 N -5.44 0.69 0.00 0.20 -0.58 -1.26 -4.98 120.64 109.27 1xe8 n GLU 44 Ca 0.06 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1xe8 n GLU 44 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.59 2.59 0.00 0.62 0.00 0.20 -1.64 105.19 107.55 1xe8 n GLY 45 Ca 0.17 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.96 -1.02 3.42 -0.02 0.00 -1.26 -4.36 105.19 102.91 1xe8 n GLY 46 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.05 2.19 0.37 1.61 1.51 0.18 0.49 117.35 122.65 1xe8 s TYR 47 Ca 0.00 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.56 1xe8 s TYR 47 Cb 0.00 -1.04 0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1xe8 s TYR 47 CO 0.00 0.52 0.70 -0.59 -1.11 0.00 0.00 175.55 175.08 1xe8 s PHE 48 N -2.03 0.38 -0.29 2.71 -0.12 0.07 -0.96 117.98 117.75 1xe8 s PHE 48 Ca 0.22 -0.94 -0.18 0.00 -0.05 0.00 0.00 56.93 55.99 1xe8 s PHE 48 Cb -0.06 0.58 0.13 0.00 -0.63 0.00 0.00 43.02 43.04 1xe8 s PHE 48 CO 0.11 -1.45 0.96 0.21 -0.05 0.00 0.00 175.22 174.99 1xe8 s LYS 49 N -2.52 0.45 -0.45 1.99 2.20 -1.05 -1.83 119.74 118.52 1xe8 s LYS 49 Ca 0.20 0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 56.25 1xe8 s LYS 49 Cb -0.04 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1xe8 s LYS 49 CO 0.14 -0.08 0.95 -2.00 -0.36 0.00 0.00 175.35 174.00 1xe8 s GLU 50 N 1.12 3.60 -0.04 4.03 2.12 -1.26 -1.61 118.70 126.65 1xe8 s GLU 50 Ca -0.06 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.54 1xe8 s GLU 50 Cb -0.04 -3.91 -0.26 0.00 0.26 0.00 0.00 34.13 30.18 1xe8 s GLU 50 CO -0.13 -1.21 0.68 1.15 -0.54 0.00 0.00 175.26 175.21 1xe8 h THR 51 N 6.07 0.94 -3.17 -1.70 2.02 -1.65 -3.47 112.91 111.95 1xe8 h THR 51 Ca -0.24 -2.66 -0.23 0.00 0.77 0.00 0.00 66.41 64.05 1xe8 h THR 51 Cb 1.07 2.60 -0.31 0.00 -1.74 0.00 0.00 68.15 69.77 1xe8 h THR 51 CO 1.04 0.75 -0.57 -0.62 0.37 0.00 0.00 175.52 176.49 1xe8 s ASP 52 N -6.74 -0.10 -0.34 4.18 -1.08 -1.20 -4.97 116.67 106.42 1xe8 s ASP 52 Ca -0.11 0.37 0.02 0.00 -0.52 0.00 0.00 52.55 52.31 1xe8 s ASP 52 Cb 0.07 0.27 0.10 0.00 -1.46 0.00 0.00 42.92 41.90 1xe8 s ASP 52 CO 0.82 -0.16 0.09 -0.60 0.52 0.00 0.00 175.17 175.84 1xe8 s ARG 53 N 1.29 1.12 0.07 4.34 3.52 -1.26 0.71 118.95 128.74 1xe8 s ARG 53 Ca -0.08 -1.53 -0.31 0.00 -0.13 0.00 0.00 55.73 53.67 1xe8 s ARG 53 Cb -0.11 -2.59 -0.17 0.00 -1.56 0.00 0.00 34.95 30.52 1xe8 s ARG 53 CO -0.07 -0.98 0.76 0.45 -0.81 0.00 0.00 175.30 174.66 1xe8 n SER 54 N 4.46 -0.42 0.22 -2.12 2.88 -0.39 -4.83 113.62 113.41 1xe8 n SER 54 Ca 0.01 1.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.68 1xe8 n SER 54 Cb 0.41 -0.82 0.31 0.00 -0.75 0.00 0.00 64.21 63.36 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 1.99 0.00 -6.53 -1.46 0.11 -1.99 -3.40 132.00 120.72 1xe8 h PRO 55 Ca -0.37 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.21 1xe8 h PRO 55 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1xe8 h PRO 55 CO 0.55 0.12 0.09 0.71 -0.21 0.00 0.00 178.00 179.26 1xe8 s TYR 56 N -3.34 3.68 0.00 0.65 2.02 -1.26 -4.99 117.35 114.10 1xe8 s TYR 56 Ca 0.04 1.38 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1xe8 s TYR 56 Cb 0.07 -2.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 1xe8 s TYR 56 CO 0.65 0.37 0.00 0.25 -1.57 0.00 0.00 175.55 175.25 1xe8 n THR 57 N 0.86 0.00 -4.76 -0.71 -2.24 -1.26 -1.15 114.28 105.02 1xe8 n THR 57 Ca -0.03 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.49 1xe8 n THR 57 Cb 0.51 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.60 1.82 0.06 -0.78 0.41 -1.26 -4.76 118.70 114.79 1xe8 s GLU 59 Ca 0.00 -0.55 0.04 0.00 -0.41 0.00 0.00 54.97 54.05 1xe8 s GLU 59 Cb 0.00 -1.53 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 1xe8 s GLU 59 CO 0.00 0.16 -0.12 0.08 -0.49 0.00 0.00 175.26 174.89 1xe8 s VAL 60 N 0.28 0.94 -0.18 2.63 1.01 0.14 -4.92 120.40 120.29 1xe8 s VAL 60 Ca -0.09 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 1xe8 s VAL 60 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1xe8 s VAL 60 CO 0.03 -0.23 0.58 -0.70 0.00 0.00 0.00 175.10 174.78 1xe8 s GLU 61 N -1.59 4.23 -0.03 2.72 2.12 -1.26 -0.29 118.70 124.60 1xe8 s GLU 61 Ca -0.04 0.55 0.04 0.00 0.36 0.00 0.00 54.97 55.88 1xe8 s GLU 61 Cb -0.10 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1xe8 s GLU 61 CO 0.02 -0.15 -0.17 0.21 -0.54 0.00 0.00 175.26 174.63 1xe8 s LYS 62 N 1.62 1.63 0.87 4.30 2.20 -0.67 -4.93 119.74 124.76 1xe8 s LYS 62 Ca 0.27 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 55.17 1xe8 s LYS 62 Cb -0.16 -1.46 0.11 0.00 -1.51 0.00 0.00 37.83 34.82 1xe8 s LYS 62 CO 0.11 0.27 1.11 -1.25 -0.36 0.00 0.00 175.35 175.23 1xe8 s PRO 63 N -0.08 1.49 0.00 4.03 0.04 -1.26 0.56 135.00 139.78 1xe8 s PRO 63 Ca -0.01 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1xe8 s PRO 63 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1xe8 s PRO 63 CO 0.01 -2.01 0.00 0.28 0.04 0.00 0.00 177.00 175.33 1xe8 n VAL 64 N -3.67 0.00 0.00 -0.36 0.31 -1.26 -4.78 118.33 108.57 1xe8 n VAL 64 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1xe8 n VAL 64 Cb 0.57 0.56 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 1xe8 n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xe8 n GLY 69 N 0.00 0.00 0.96 2.92 0.00 -1.26 -4.82 105.19 102.99 1xe8 n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xe8 n GLY 69 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xe8 n ASN 70 N 0.00 -5.05 -3.27 1.61 5.15 -1.26 -5.12 115.26 107.32 1xe8 n ASN 70 Ca 0.00 0.57 -0.20 0.00 -0.60 0.00 0.00 54.58 54.35 1xe8 n ASN 70 Cb 0.00 -2.10 -0.08 0.00 -0.53 0.00 0.00 39.78 37.08 1xe8 n ASN 70 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xe8 n THR 71 N 0.34 0.00 -1.19 -0.44 -2.24 -1.26 -4.58 114.28 104.90 1xe8 n THR 71 Ca 0.00 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 1xe8 n THR 71 Cb 0.00 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1xe8 n THR 71 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xe8 n GLU 72 N -0.66 0.00 0.00 -0.78 -0.00 0.19 -4.91 120.64 114.49 1xe8 n GLU 72 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 1xe8 n GLU 72 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 1xe8 n GLU 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1xe8 n VAL 74 N 0.00 0.00 -3.50 3.84 0.31 0.60 -1.66 118.33 117.92 1xe8 n VAL 74 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1xe8 n VAL 74 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1xe8 n VAL 74 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xe8 s THR 75 N -1.23 5.18 0.08 2.52 2.01 -1.26 0.25 115.64 123.18 1xe8 s THR 75 Ca 0.00 0.74 0.03 0.00 0.31 0.00 0.00 61.69 62.77 1xe8 s THR 75 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1xe8 s THR 75 CO 0.00 0.47 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.18 1xe8 s ARG 76 N -0.28 0.75 0.49 4.92 1.81 -1.26 -4.98 118.95 120.41 1xe8 s ARG 76 Ca 0.22 -1.05 -0.22 0.00 -1.72 0.00 0.00 55.73 52.95 1xe8 s ARG 76 Cb -0.15 -0.44 -0.06 0.00 -0.45 0.00 0.00 34.95 33.85 1xe8 s ARG 76 CO 0.09 0.07 1.22 -0.80 -0.68 0.00 0.00 175.30 175.20 1xe8 s ASN 77 N -2.23 5.86 0.51 0.23 -0.87 -1.26 -4.41 114.94 112.77 1xe8 s ASN 77 Ca 0.01 2.42 0.17 0.00 -1.57 0.00 0.00 52.86 53.90 1xe8 s ASN 77 Cb -0.04 -2.61 1.24 0.00 -0.02 0.00 0.00 41.25 39.82 1xe8 s ASN 77 CO -0.00 -1.14 2.11 1.56 -2.57 0.00 0.00 177.10 177.06 1xe8 h GLN 78 N 1.80 0.07 -1.92 -0.60 4.20 -1.35 0.51 115.11 117.82 1xe8 h GLN 78 Ca -0.50 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.29 1xe8 h GLN 78 Cb 1.26 -0.02 -0.19 0.00 0.30 0.00 0.00 27.48 28.84 1xe8 h GLN 78 CO 0.59 0.05 0.49 -1.54 -0.67 0.00 0.00 178.83 177.75 1xe8 s SER 79 N -6.85 -0.39 0.03 1.46 1.04 -1.26 -3.23 113.70 104.50 1xe8 s SER 79 Ca -0.05 0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.69 1xe8 s SER 79 Cb 0.18 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1xe8 s SER 79 CO 0.69 -0.49 -0.19 0.42 0.98 0.00 0.00 173.24 174.65 1xe8 s THR 80 N -2.02 1.50 0.04 2.02 -4.23 -0.60 -1.27 115.64 111.09 1xe8 s THR 80 Ca 0.00 -1.08 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1xe8 s THR 80 Cb -0.01 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 1xe8 s THR 80 CO -0.02 0.20 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.85 1xe8 s LEU 81 N -1.03 2.60 -0.03 4.79 2.96 0.22 -2.08 118.68 126.10 1xe8 s LEU 81 Ca 0.06 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1xe8 s LEU 81 Cb -0.08 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1xe8 s LEU 81 CO 0.01 0.26 0.26 -0.63 -1.32 0.00 0.00 176.35 174.93 1xe8 s ILE 82 N -0.91 0.05 -0.29 6.68 1.01 -0.78 -1.57 121.20 125.39 1xe8 s ILE 82 Ca 0.14 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1xe8 s ILE 82 Cb -0.10 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1xe8 s ILE 82 CO 0.05 -0.23 0.18 -0.31 0.00 0.00 0.00 174.94 174.62 1xe8 s TYR 83 N -1.01 3.20 -0.14 3.97 4.12 -0.63 -1.78 117.35 125.08 1xe8 s TYR 83 Ca -0.11 -0.09 0.02 0.00 0.02 0.00 0.00 57.07 56.92 1xe8 s TYR 83 Cb -0.05 -2.37 0.01 0.00 -1.52 0.00 0.00 41.96 38.03 1xe8 s TYR 83 CO 0.03 -0.25 -0.22 -0.47 0.02 0.00 0.00 175.55 174.65 1xe8 s TYR 84 N 1.72 2.67 -0.07 2.71 5.04 0.16 -2.54 117.35 127.03 1xe8 s TYR 84 Ca 0.07 -1.35 0.02 0.00 -2.44 0.00 0.00 57.07 53.37 1xe8 s TYR 84 Cb -0.16 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.35 1xe8 s TYR 84 CO 0.09 -0.62 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.39 1xe8 s LEU 85 N 0.82 1.66 -0.11 6.97 2.96 -0.14 -0.98 118.68 129.87 1xe8 s LEU 85 Ca -0.07 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1xe8 s LEU 85 Cb -0.15 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1xe8 s LEU 85 CO -0.02 0.04 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.28 1xe8 s LEU 86 N 0.66 3.49 0.12 -0.68 1.43 0.09 -0.65 118.68 123.14 1xe8 s LEU 86 Ca -0.15 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1xe8 s LEU 86 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1xe8 s LEU 86 CO 0.04 0.32 -0.10 0.42 0.23 0.00 0.00 176.35 177.25 1xe8 s THR 87 N -0.51 1.07 -0.21 5.49 -4.23 -0.60 -1.29 115.64 115.36 1xe8 s THR 87 Ca 0.09 -1.87 0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1xe8 s THR 87 Cb -0.12 -1.63 0.13 0.00 1.34 0.00 0.00 72.50 72.22 1xe8 s THR 87 CO 0.02 -0.66 1.34 -0.81 -0.54 0.00 0.00 174.62 173.97 1xe8 n PRO 88 N 0.15 0.09 0.00 3.99 -0.04 -1.25 0.69 135.00 138.62 1xe8 n PRO 88 Ca -0.13 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1xe8 n PRO 88 Cb 0.59 -1.95 0.04 0.00 -0.04 0.00 0.00 33.50 32.14 1xe8 n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xe8 n ASP 89 N -1.98 1.36 -2.75 3.54 5.68 -1.26 -4.48 116.55 116.66 1xe8 n ASP 89 Ca -0.01 -1.11 -0.07 0.00 -0.50 0.00 0.00 54.79 53.10 1xe8 n ASP 89 Cb 0.18 0.58 0.05 0.00 -1.14 0.00 0.00 41.12 40.79 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 -0.78 -2.92 -0.46 -1.12 2.88 0.22 -4.86 113.62 106.57 1xe8 n SER 90 Ca 0.07 -3.19 0.06 0.00 -1.33 0.00 0.00 58.87 54.48 1xe8 n SER 90 Cb 0.39 1.78 0.20 0.00 -0.75 0.00 0.00 64.21 65.83 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 1.81 1.59 -4.42 -1.46 -0.04 0.10 -1.56 135.00 131.02 1xe8 n PRO 91 Ca 0.10 -0.90 -0.22 0.00 -0.04 0.00 0.00 63.50 62.44 1xe8 n PRO 91 Cb 0.62 -1.25 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.70 0.87 -0.53 0.52 1.01 -1.26 -0.57 121.20 119.54 1xe8 s ILE 92 Ca 0.21 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1xe8 s ILE 92 Cb 0.11 -0.81 0.13 0.00 0.01 0.00 0.00 42.46 41.89 1xe8 s ILE 92 CO 0.15 0.29 0.48 -0.83 0.00 0.00 0.00 174.94 175.03 1xe8 s GLY 93 N 0.56 2.08 0.27 6.18 0.00 0.59 -4.11 107.32 112.90 1xe8 s GLY 93 Ca -0.10 -2.51 -0.29 0.00 0.00 0.00 0.00 44.72 41.81 1xe8 s GLY 93 CO 0.02 1.18 1.25 0.54 0.00 0.00 0.00 173.10 176.09 1xe8 s LYS 94 N 1.59 4.45 0.02 2.90 1.02 -0.65 0.49 119.74 129.55 1xe8 s LYS 94 Ca 0.03 2.05 -0.21 0.00 0.02 0.00 0.00 55.97 57.86 1xe8 s LYS 94 Cb -0.29 -3.14 -0.11 0.00 -0.52 0.00 0.00 37.83 33.77 1xe8 s LYS 94 CO 0.03 -0.10 0.54 1.19 -0.92 0.00 0.00 175.35 176.09 1xe8 n PHE 95 N 1.50 0.25 -3.62 3.18 0.99 -0.21 -4.75 117.46 114.79 1xe8 n PHE 95 Ca 0.02 0.57 -0.10 0.00 -0.00 0.00 0.00 57.45 57.93 1xe8 n PHE 95 Cb 0.43 -1.12 -0.06 0.00 -1.00 0.00 0.00 39.48 37.72 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 -0.08 -0.46 0.54 1.38 -3.43 -0.77 -4.18 115.29 108.29 1xe8 s HIS 96 Ca 0.47 1.03 0.05 0.00 -0.80 0.00 0.00 55.06 55.81 1xe8 s HIS 96 Cb -0.66 0.38 0.05 0.00 -1.43 0.00 0.00 32.58 30.92 1xe8 s HIS 96 CO 0.31 -0.27 0.74 0.15 -2.00 0.00 0.00 174.74 173.67 1xe8 s LYS 97 N -0.15 2.46 -0.29 -0.38 1.02 -0.48 -1.57 119.74 120.34 1xe8 s LYS 97 Ca 0.01 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 1xe8 s LYS 97 Cb -0.04 -2.59 0.12 0.00 -0.52 0.00 0.00 37.83 34.81 1xe8 s LYS 97 CO -0.04 -0.71 0.79 1.21 -0.92 0.00 0.00 175.35 175.69 1xe8 s ASN 98 N -4.50 -0.84 0.32 2.83 3.84 -1.26 -3.58 114.94 111.76 1xe8 s ASN 98 Ca 0.59 1.26 0.11 0.00 0.21 0.00 0.00 52.86 55.02 1xe8 s ASN 98 Cb -0.09 1.63 0.94 0.00 -0.55 0.00 0.00 41.25 43.18 1xe8 s ASN 98 CO 0.38 -0.19 1.71 0.40 -2.79 0.00 0.00 177.10 176.61 1xe8 h ILE 99 N 5.34 0.46 -2.34 -5.21 1.08 -1.67 -1.29 117.51 113.88 1xe8 h ILE 99 Ca -0.24 -0.17 -0.51 0.00 -0.39 0.00 0.00 64.86 63.54 1xe8 h ILE 99 Cb 1.17 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1xe8 h ILE 99 CO 0.14 0.09 -0.51 0.20 -0.69 0.00 0.00 178.15 177.38 1xe8 s ASN 100 N -5.11 5.74 0.45 1.72 0.01 -1.26 -4.29 114.94 112.20 1xe8 s ASN 100 Ca -0.11 -0.13 -0.23 0.00 -0.71 0.00 0.00 52.86 51.68 1xe8 s ASN 100 Cb 0.28 -1.54 -0.07 0.00 0.41 0.00 0.00 41.25 40.32 1xe8 s ASN 100 CO 0.79 -0.01 1.17 0.00 -1.51 0.00 0.00 177.10 177.54 1xe8 s ARG 101 N -3.66 3.79 -0.08 -0.60 1.70 -1.26 -3.94 118.95 114.91 1xe8 s ARG 101 Ca 0.33 1.80 0.03 0.00 -0.47 0.00 0.00 55.73 57.41 1xe8 s ARG 101 Cb -0.09 -2.45 0.01 0.00 -0.57 0.00 0.00 34.95 31.86 1xe8 s ARG 101 CO 0.26 -0.53 -0.15 0.42 -1.08 0.00 0.00 175.30 174.22 1xe8 s ILE 102 N -1.52 1.36 -0.03 4.99 1.01 -0.82 -4.31 121.20 121.88 1xe8 s ILE 102 Ca 0.63 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1xe8 s ILE 102 Cb -0.29 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1xe8 s ILE 102 CO 0.36 0.41 0.67 -0.63 0.00 0.00 0.00 174.94 175.75 1xe8 s ILE 103 N 0.64 4.95 -0.06 2.92 1.01 -0.57 -1.77 121.20 128.32 1xe8 s ILE 103 Ca -0.15 1.40 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1xe8 s ILE 103 Cb -0.16 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1xe8 s ILE 103 CO 0.04 0.32 -0.23 -1.00 0.00 0.00 0.00 174.94 174.07 1xe8 s HIS 104 N 0.35 2.48 -0.15 3.97 3.76 0.99 -1.49 115.29 125.19 1xe8 s HIS 104 Ca 0.35 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1xe8 s HIS 104 Cb -0.18 -1.61 0.04 0.00 1.11 0.00 0.00 32.58 31.94 1xe8 s HIS 104 CO 0.18 -0.15 -0.06 0.42 -0.85 0.00 0.00 174.74 174.29 1xe8 s ILE 105 N -0.25 1.07 0.29 0.60 1.09 -0.07 -1.29 121.20 122.64 1xe8 s ILE 105 Ca -0.01 -0.52 -0.29 0.00 -1.10 0.00 0.00 60.65 58.73 1xe8 s ILE 105 Cb -0.13 -1.20 -0.11 0.00 -1.06 0.00 0.00 42.46 39.96 1xe8 s ILE 105 CO 0.03 0.19 1.46 -0.22 -0.10 0.00 0.00 174.94 176.30 1xe8 s LEU 106 N 1.66 4.37 0.00 2.97 2.96 0.95 -1.63 118.68 129.96 1xe8 s LEU 106 Ca 0.02 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1xe8 s LEU 106 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1xe8 s LEU 106 CO -0.08 -0.75 0.00 0.00 -1.32 0.00 0.00 176.35 174.20 1xe8 n GLN 107 N 1.71 0.00 -3.82 1.98 6.02 -0.16 -4.93 117.38 118.18 1xe8 n GLN 107 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 1xe8 n GLN 107 Cb 0.40 -0.45 -0.07 0.00 1.02 0.00 0.00 30.24 31.14 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 -1.97 0.86 2.48 -1.09 0.52 -0.60 -4.99 118.95 114.16 1xe8 s ARG 108 Ca 0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1xe8 s ARG 108 Cb 0.00 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1xe8 s ARG 108 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.45 1xe8 n GLY 109 N 0.02 -0.67 3.18 -3.53 0.00 -1.26 -1.19 105.19 101.74 1xe8 n GLY 109 Ca -0.16 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 0.67 0.32 1.61 1.02 -1.22 -4.75 119.74 117.39 1xe8 s LYS 110 Ca 0.00 -0.57 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 1xe8 s LYS 110 Cb 0.00 0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.65 1xe8 s LYS 110 CO 0.00 -0.19 0.89 0.20 -0.92 0.00 0.00 175.35 175.33 1xe8 s GLY 111 N -1.94 0.31 0.00 -3.33 0.00 -0.64 -2.64 107.32 99.08 1xe8 s GLY 111 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1xe8 s GLY 111 CO -0.03 0.84 -0.01 1.62 0.00 0.00 0.00 173.10 175.52 1xe8 s GLN 112 N -2.13 0.09 0.12 2.90 0.74 -0.67 0.36 119.66 121.07 1xe8 s GLN 112 Ca 0.18 -0.13 0.08 0.00 0.05 0.00 0.00 55.36 55.54 1xe8 s GLN 112 Cb -0.04 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1xe8 s GLN 112 CO 0.09 -0.00 -0.13 0.71 -0.55 0.00 0.00 175.29 175.41 1xe8 s TYR 113 N -0.29 2.65 -0.16 1.67 1.51 -0.05 -1.17 117.35 121.51 1xe8 s TYR 113 Ca -0.03 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1xe8 s TYR 113 Cb -0.02 -1.39 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 1xe8 s TYR 113 CO -0.00 0.42 0.01 0.08 -1.11 0.00 0.00 175.55 174.95 1xe8 s VAL 114 N -1.24 0.61 0.09 0.71 1.01 0.05 -2.22 120.40 119.41 1xe8 s VAL 114 Ca 0.20 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1xe8 s VAL 114 Cb -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1xe8 s VAL 114 CO 0.13 -0.03 0.02 -0.76 0.00 0.00 0.00 175.10 174.46 1xe8 s LEU 115 N 1.84 3.55 -0.29 3.92 1.43 0.30 -1.32 118.68 128.11 1xe8 s LEU 115 Ca 0.01 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1xe8 s LEU 115 Cb -0.16 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 43.89 1xe8 s LEU 115 CO -0.07 0.17 0.10 -0.69 0.23 0.00 0.00 176.35 176.09 1xe8 s VAL 116 N -1.34 0.45 0.32 -1.59 1.01 -0.51 -2.26 120.40 116.48 1xe8 s VAL 116 Ca 0.27 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1xe8 s VAL 116 Cb -0.12 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 1xe8 s VAL 116 CO 0.19 -0.64 1.02 -0.31 0.00 0.00 0.00 175.10 175.37 1xe8 s TYR 117 N 1.84 3.59 -0.08 5.22 1.51 0.46 -2.62 117.35 127.26 1xe8 s TYR 117 Ca 0.08 1.74 0.04 0.00 -1.01 0.00 0.00 57.07 57.92 1xe8 s TYR 117 Cb -0.17 -3.11 0.20 0.00 -0.11 0.00 0.00 41.96 38.77 1xe8 s TYR 117 CO -0.28 -0.23 0.85 -0.35 -1.11 0.00 0.00 175.55 174.44 1xe8 n PRO 118 N 0.74 0.03 0.00 -1.71 -0.04 -1.26 0.15 135.00 132.90 1xe8 n PRO 118 Ca 0.01 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1xe8 n PRO 118 Cb 0.48 -2.01 0.55 0.00 -0.04 0.00 0.00 33.50 32.48 1xe8 n PRO 118 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xe8 n ASP 119 N -1.54 0.54 0.00 3.54 4.64 -1.26 -4.87 116.55 117.60 1xe8 n ASP 119 Ca -0.00 -0.55 0.00 0.00 -1.38 0.00 0.00 54.79 52.85 1xe8 n ASP 119 Cb 0.43 -0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.46 1xe8 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xe8 n GLY 120 N 1.31 3.30 3.65 0.27 0.00 0.39 -5.03 105.19 109.08 1xe8 n GLY 120 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1xe8 n GLY 120 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xe8 n GLN 121 N -2.00 1.88 -3.79 1.61 7.27 -1.19 -4.73 117.38 116.43 1xe8 n GLN 121 Ca 0.00 0.67 -0.30 0.00 0.07 0.00 0.00 57.00 57.44 1xe8 n GLN 121 Cb 0.00 -2.32 -0.15 0.00 2.41 0.00 0.00 30.24 30.18 1xe8 n GLN 121 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1xe8 s VAL 122 N 0.07 1.10 0.21 1.69 1.01 -1.26 -0.41 120.40 122.82 1xe8 s VAL 122 Ca 0.71 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1xe8 s VAL 122 Cb -0.70 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1xe8 s VAL 122 CO 0.48 -0.62 0.39 -0.54 0.00 0.00 0.00 175.10 174.81 1xe8 s LYS 123 N 1.51 3.50 -0.14 2.72 1.02 -0.96 -4.92 119.74 122.47 1xe8 s LYS 123 Ca 0.09 -0.41 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 1xe8 s LYS 123 Cb -0.18 -2.84 0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1xe8 s LYS 123 CO -0.21 0.39 0.34 0.45 -0.92 0.00 0.00 175.35 175.40 1xe8 s SER 124 N -3.34 -0.41 0.15 2.83 0.15 -1.26 -0.54 113.70 111.28 1xe8 s SER 124 Ca 0.38 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.75 1xe8 s SER 124 Cb -0.11 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 1xe8 s SER 124 CO 0.30 -0.18 0.08 0.72 1.20 0.00 0.00 173.24 175.36 1xe8 s PHE 125 N 1.23 0.89 -0.07 3.44 -0.12 -0.94 0.11 117.98 122.52 1xe8 s PHE 125 Ca -0.09 -1.24 -0.02 0.00 -0.05 0.00 0.00 56.93 55.53 1xe8 s PHE 125 Cb -0.09 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 1xe8 s PHE 125 CO -0.10 -0.56 0.05 0.15 -0.05 0.00 0.00 175.22 174.71 1xe8 s LYS 126 N -4.07 3.09 -0.21 1.99 1.02 -1.26 -0.88 119.74 119.43 1xe8 s LYS 126 Ca 0.27 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 1xe8 s LYS 126 Cb 0.07 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1xe8 s LYS 126 CO 0.04 0.70 0.08 0.08 -0.92 0.00 0.00 175.35 175.33 1xe8 s VAL 127 N -1.00 4.78 -0.09 3.17 1.01 0.16 -0.35 120.40 128.08 1xe8 s VAL 127 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 61.98 61.79 1xe8 s VAL 127 Cb -0.12 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.21 1xe8 s VAL 127 CO 0.06 0.41 1.41 -0.83 0.00 0.00 0.00 175.10 176.14 1xe8 s GLY 128 N 0.80 -0.40 0.00 4.51 0.00 -0.78 -1.62 107.32 109.84 1xe8 s GLY 128 Ca 0.04 0.67 0.25 0.00 0.00 0.00 0.00 44.72 45.68 1xe8 s GLY 128 CO 0.02 2.51 1.43 0.69 0.00 0.00 0.00 173.10 177.75 1xe8 n PHE 129 N -0.67 0.00 -2.58 1.90 3.01 -1.26 -3.75 117.46 114.10 1xe8 n PHE 129 Ca -0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.99 1xe8 n PHE 129 Cb 0.62 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1xe8 n PHE 129 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1xe8 n ASP 130 N 0.34 5.05 0.29 4.37 -0.08 -1.26 -4.76 116.55 120.49 1xe8 n ASP 130 Ca 0.14 -3.01 0.18 0.00 -1.51 0.00 0.00 54.79 50.59 1xe8 n ASP 130 Cb 0.45 -1.56 0.76 0.00 2.34 0.00 0.00 41.12 43.12 1xe8 n ASP 130 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1xe8 h TYR 131 N 6.54 0.00 0.00 -0.67 -0.00 -1.81 -2.32 116.97 118.71 1xe8 h TYR 131 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 1xe8 h TYR 131 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.49 1xe8 h TYR 131 CO 1.22 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 180.55 1xe8 n LYS 132 N -3.08 0.51 -1.25 0.10 3.00 -1.26 -1.69 118.16 114.48 1xe8 n LYS 132 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1xe8 n LYS 132 Cb 0.27 -1.29 0.09 0.00 0.00 0.00 0.00 35.03 34.10 1xe8 n LYS 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xe8 n ASN 133 N -0.79 1.33 0.00 3.14 3.02 -0.88 -4.99 115.26 116.10 1xe8 n ASN 133 Ca 0.07 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1xe8 n ASN 133 Cb 0.03 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.11 0.68 3.77 7.41 0.00 -0.68 -5.00 105.19 111.25 1xe8 n GLY 134 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.32 4.39 0.03 1.61 2.02 -1.20 -4.01 118.70 121.21 1xe8 s GLU 135 Ca 0.00 1.81 0.06 0.00 0.02 0.00 0.00 54.97 56.86 1xe8 s GLU 135 Cb 0.00 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1xe8 s GLU 135 CO 0.00 -0.02 -0.15 0.08 0.02 0.00 0.00 175.26 175.19 1xe8 s VAL 136 N -1.30 3.02 -1.34 2.63 1.01 0.53 -4.02 120.40 120.93 1xe8 s VAL 136 Ca 0.50 -1.05 0.16 0.00 0.00 0.00 0.00 61.98 61.59 1xe8 s VAL 136 Cb -0.31 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1xe8 s VAL 136 CO 0.39 0.37 0.82 -1.54 0.00 0.00 0.00 175.10 175.15 1xe8 n SER 137 N 1.61 1.45 -3.66 3.32 3.41 -1.25 -1.86 113.62 116.64 1xe8 n SER 137 Ca -0.16 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.13 1xe8 n SER 137 Cb 0.52 0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 64.97 1xe8 n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe8 s GLN 138 N -2.03 0.64 -0.11 4.33 -2.07 -1.26 -0.04 119.66 119.13 1xe8 s GLN 138 Ca 0.12 1.02 -0.13 0.00 -1.82 0.00 0.00 55.36 54.56 1xe8 s GLN 138 Cb 0.13 0.17 0.03 0.00 -1.09 0.00 0.00 33.01 32.25 1xe8 s GLN 138 CO 0.46 -0.13 0.34 1.67 -1.32 0.00 0.00 175.29 176.31 1xe8 s TRP 139 N 1.20 -0.34 -0.22 9.60 -2.14 -0.41 -4.98 118.94 121.65 1xe8 s TRP 139 Ca -0.07 0.79 -0.06 0.00 2.66 0.00 0.00 56.10 59.43 1xe8 s TRP 139 Cb -0.06 0.12 -0.02 0.00 -3.10 0.00 0.00 33.47 30.42 1xe8 s TRP 139 CO -0.12 -0.23 0.01 0.08 -2.66 0.00 0.00 176.95 174.03 1xe8 s VAL 140 N -0.14 3.96 -0.27 -0.66 1.01 -1.26 -0.01 120.40 123.03 1xe8 s VAL 140 Ca -0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1xe8 s VAL 140 Cb -0.03 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1xe8 s VAL 140 CO 0.01 0.40 0.17 -0.69 0.00 0.00 0.00 175.10 174.99 1xe8 s VAL 141 N 1.29 5.11 0.37 2.92 1.01 -0.73 -4.95 120.40 125.43 1xe8 s VAL 141 Ca 0.04 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1xe8 s VAL 141 Cb -0.15 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 1xe8 s VAL 141 CO 0.01 0.27 1.50 -2.65 0.00 0.00 0.00 175.10 174.24 1xe8 n PRO 142 N 5.01 2.70 -1.25 2.72 -0.02 -1.26 -1.95 135.00 140.95 1xe8 n PRO 142 Ca -0.14 0.95 -0.35 0.00 -2.02 0.00 0.00 63.50 61.93 1xe8 n PRO 142 Cb 0.52 -2.69 0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.56 -0.44 0.99 -1.23 0.00 -1.25 -2.20 105.19 101.61 1xe8 n GLY 143 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.99 2.87 3.78 -0.02 0.00 -0.49 -4.90 105.19 107.42 1xe8 n GLY 144 Ca 0.13 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.24 4.37 -0.09 1.61 1.01 -0.94 -4.69 120.40 119.45 1xe8 s VAL 145 Ca 0.00 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.41 1xe8 s VAL 145 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1xe8 s VAL 145 CO 0.00 0.42 0.67 -0.36 0.00 0.00 0.00 175.10 175.83 1xe8 s PHE 146 N -1.27 3.54 -0.02 5.22 2.99 -1.08 -4.33 117.98 123.03 1xe8 s PHE 146 Ca 0.39 1.18 0.06 0.00 0.00 0.00 0.00 56.93 58.56 1xe8 s PHE 146 Cb -0.22 -2.78 -0.01 0.00 0.00 0.00 0.00 43.02 40.01 1xe8 s PHE 146 CO 0.25 0.06 -0.21 -1.59 -0.00 0.00 0.00 175.22 173.73 1xe8 s LYS 147 N 0.95 1.78 0.08 0.44 -2.85 -0.61 -1.42 119.74 118.10 1xe8 s LYS 147 Ca 0.35 -0.74 0.04 0.00 -1.00 0.00 0.00 55.97 54.63 1xe8 s LYS 147 Cb -0.17 -1.66 -0.03 0.00 -2.06 0.00 0.00 37.83 33.90 1xe8 s LYS 147 CO 0.16 0.41 -0.12 0.00 0.10 0.00 0.00 175.35 175.90 1xe8 s ALA 148 N -0.38 1.11 0.03 0.59 0.00 -0.43 -1.84 121.76 120.84 1xe8 s ALA 148 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1xe8 s ALA 148 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1xe8 s ALA 148 CO 0.00 0.08 0.09 -1.54 0.00 0.00 0.00 175.76 174.40 1xe8 s SER 149 N -1.98 0.15 0.02 0.00 1.04 0.18 -0.77 113.70 112.35 1xe8 s SER 149 Ca -0.00 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 1xe8 s SER 149 Cb -0.08 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1xe8 s SER 149 CO 0.02 -0.46 0.17 0.72 0.98 0.00 0.00 173.24 174.66 1xe8 s PHE 150 N -2.24 0.05 0.54 5.02 -0.71 -0.32 0.22 117.98 120.54 1xe8 s PHE 150 Ca -0.08 -0.21 -0.21 0.00 -1.04 0.00 0.00 56.93 55.39 1xe8 s PHE 150 Cb -0.03 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 1xe8 s PHE 150 CO -0.03 -0.36 1.25 -1.17 -1.34 0.00 0.00 175.22 173.57 1xe8 s LEU 151 N -1.77 3.84 -0.13 -1.99 1.98 0.26 -1.66 118.68 119.21 1xe8 s LEU 151 Ca -0.09 2.50 0.00 0.00 -2.89 0.00 0.00 54.13 53.64 1xe8 s LEU 151 Cb -0.04 -4.38 0.02 0.00 0.66 0.00 0.00 46.19 42.46 1xe8 s LEU 151 CO -0.01 -1.38 -0.11 -0.76 -1.89 0.00 0.00 176.35 172.20 1xe8 s LEU 152 N -3.56 1.42 0.19 -0.68 1.43 -1.08 -4.79 118.68 111.61 1xe8 s LEU 152 Ca 0.71 -0.38 -0.32 0.00 -1.03 0.00 0.00 54.13 53.11 1xe8 s LEU 152 Cb -0.33 -0.99 -0.16 0.00 0.03 0.00 0.00 46.19 44.74 1xe8 s LEU 152 CO 0.39 -0.08 1.06 -0.81 0.23 0.00 0.00 176.35 177.14 1xe8 n PRO 153 N 4.80 1.01 -3.46 1.29 -0.04 -1.26 -4.38 135.00 132.95 1xe8 n PRO 153 Ca -0.15 0.36 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1xe8 n PRO 153 Cb 0.50 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1xe8 n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xe8 s ASN 154 N -0.21 -0.55 -0.22 3.54 4.22 -1.26 -4.94 114.94 115.52 1xe8 s ASN 154 Ca 0.70 0.18 0.02 0.00 -2.14 0.00 0.00 52.86 51.63 1xe8 s ASN 154 Cb -0.86 0.54 -0.20 0.00 1.28 0.00 0.00 41.25 42.02 1xe8 s ASN 154 CO 0.54 -0.81 -0.06 1.21 -2.04 0.00 0.00 177.10 175.94 1xe8 n GLU 155 N -0.02 0.67 -0.32 3.55 2.13 -1.26 -1.10 120.64 124.28 1xe8 n GLU 155 Ca -0.16 0.16 0.14 0.00 0.66 0.00 0.00 57.16 57.96 1xe8 n GLU 155 Cb 0.62 -1.56 0.29 0.00 0.27 0.00 0.00 31.44 31.06 1xe8 n GLU 155 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xe8 h GLU 156 N 0.01 0.05 -0.96 5.31 4.81 -1.98 -1.99 114.58 119.83 1xe8 h GLU 156 Ca -0.54 -0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.15 1xe8 h GLU 156 Cb 1.97 -0.01 -0.42 0.00 0.63 0.00 0.00 28.75 30.91 1xe8 h GLU 156 CO -0.04 0.03 -0.82 0.34 -0.73 0.00 0.00 179.01 177.80 1xe8 n PHE 157 N -5.42 2.83 -4.15 0.92 7.35 -1.26 -4.91 117.46 112.81 1xe8 n PHE 157 Ca 0.23 -2.49 -0.32 0.00 -0.76 0.00 0.00 57.45 54.11 1xe8 n PHE 157 Cb 0.74 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 40.25 1xe8 n PHE 157 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xe8 n ASP 158 N -0.62 -0.17 -3.46 -2.13 2.03 -0.75 0.03 116.55 111.48 1xe8 n ASP 158 Ca 0.40 -1.18 -0.24 0.00 0.52 0.00 0.00 54.79 54.28 1xe8 n ASP 158 Cb 0.87 -1.46 0.06 0.00 -0.72 0.00 0.00 41.12 39.87 1xe8 n ASP 158 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xe8 n ASN 159 N -2.46 -6.06 -4.67 1.67 3.02 -0.26 -4.92 115.26 101.59 1xe8 n ASN 159 Ca -0.26 -0.49 -0.25 0.00 -0.03 0.00 0.00 54.58 53.55 1xe8 n ASN 159 Cb 0.61 -4.81 -0.09 0.00 -0.61 0.00 0.00 39.78 34.88 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 -3.11 2.27 -0.23 7.41 0.00 0.11 -3.81 107.32 109.95 1xe8 s GLY 160 Ca 0.51 -2.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 1xe8 s GLY 160 CO 0.63 -1.95 0.24 -0.12 0.00 0.00 0.00 173.10 171.89 1xe8 s PHE 161 N -2.59 -0.29 -0.14 1.90 5.36 -0.41 -3.37 117.98 118.44 1xe8 s PHE 161 Ca 0.37 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 1xe8 s PHE 161 Cb 0.04 -0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.29 1xe8 s PHE 161 CO 0.20 -0.71 -0.19 -1.17 -1.46 0.00 0.00 175.22 171.90 1xe8 s LEU 162 N 2.32 2.31 0.32 6.12 1.98 -0.33 -0.73 118.68 130.67 1xe8 s LEU 162 Ca 0.08 -0.52 0.03 0.00 -2.89 0.00 0.00 54.13 50.83 1xe8 s LEU 162 Cb -0.15 -1.51 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1xe8 s LEU 162 CO -0.20 0.10 0.14 0.27 -1.89 0.00 0.00 176.35 174.77 1xe8 s ILE 163 N 0.74 0.45 0.03 6.68 -4.36 -0.15 -0.99 121.20 123.59 1xe8 s ILE 163 Ca -0.08 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.38 1xe8 s ILE 163 Cb -0.16 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 1xe8 s ILE 163 CO 0.01 0.00 -0.20 -0.44 0.24 0.00 0.00 174.94 174.54 1xe8 s SER 164 N -3.41 2.42 -0.08 4.36 0.01 -0.65 -0.67 113.70 115.69 1xe8 s SER 164 Ca 0.34 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1xe8 s SER 164 Cb 0.05 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.08 1xe8 s SER 164 CO 0.17 0.17 -0.15 -1.61 0.41 0.00 0.00 173.24 172.23 1xe8 s GLU 165 N -1.03 2.06 -0.13 12.44 2.02 -0.73 -0.89 118.70 132.43 1xe8 s GLU 165 Ca 0.07 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.53 1xe8 s GLU 165 Cb -0.09 -1.66 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1xe8 s GLU 165 CO 0.01 0.06 -0.16 0.08 0.02 0.00 0.00 175.26 175.27 1xe8 s VAL 166 N 0.61 2.72 -0.11 2.63 1.01 -0.56 -1.87 120.40 124.82 1xe8 s VAL 166 Ca -0.15 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1xe8 s VAL 166 Cb -0.16 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1xe8 s VAL 166 CO 0.05 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 1xe8 s VAL 167 N 0.52 2.30 -0.12 2.92 1.01 -0.89 -1.51 120.40 124.64 1xe8 s VAL 167 Ca -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1xe8 s VAL 167 Cb -0.16 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1xe8 s VAL 167 CO 0.04 0.55 0.19 0.54 0.00 0.00 0.00 175.10 176.42 1xe8 s VAL 168 N 0.42 -0.30 0.93 2.92 0.11 -1.26 -1.55 120.40 121.67 1xe8 s VAL 168 Ca -0.15 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.02 1xe8 s VAL 168 Cb -0.17 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1xe8 s VAL 168 CO 0.07 0.07 0.59 -2.65 -3.33 0.00 0.00 175.10 169.84 1xe8 n PRO 169 N 5.33 -0.28 -1.72 1.54 -0.02 -1.26 -4.75 135.00 133.84 1xe8 n PRO 169 Ca -0.05 -0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.00 1xe8 n PRO 169 Cb 0.50 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.23 0.66 3.62 -1.23 0.00 0.18 -4.75 105.19 104.89 1xe8 n GLY 170 Ca 0.08 0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.47 1.71 -3.95 1.61 7.35 -1.26 -4.61 117.46 117.84 1xe8 n PHE 171 Ca 0.07 0.55 -0.12 0.00 -0.76 0.00 0.00 57.45 57.20 1xe8 n PHE 171 Cb 0.42 -2.37 -0.13 0.00 0.35 0.00 0.00 39.48 37.75 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 0.20 0.19 0.61 -2.13 -1.08 -1.26 -4.96 116.67 108.24 1xe8 s ASP 172 Ca 0.72 -0.20 0.33 0.00 -0.52 0.00 0.00 52.55 52.89 1xe8 s ASP 172 Cb -0.77 0.03 1.96 0.00 -1.46 0.00 0.00 42.92 42.68 1xe8 s ASP 172 CO 0.50 -0.10 2.28 -0.26 0.52 0.00 0.00 175.17 178.10 1xe8 h PHE 173 N 5.56 0.00 0.00 -5.34 -1.00 -1.95 -0.23 116.94 113.98 1xe8 h PHE 173 Ca -0.28 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.44 1xe8 h PHE 173 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1xe8 h PHE 173 CO 0.50 0.01 -0.28 0.93 -1.61 0.00 0.00 178.31 177.86 1xe8 h GLU 174 N 0.00 0.00 0.00 1.51 5.08 -2.01 -2.00 114.58 117.16 1xe8 h GLU 174 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xe8 h GLU 174 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xe8 h GLU 174 CO 0.00 0.28 0.00 -0.25 -1.00 0.00 0.00 179.01 178.04 1xe8 n ASP 175 N -3.77 0.00 -4.68 1.42 8.00 -0.10 -4.82 116.55 112.60 1xe8 n ASP 175 Ca -0.01 0.15 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 1xe8 n ASP 175 Cb 0.38 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.73 3.02 -0.06 1.24 2.46 -0.75 -1.68 115.29 116.78 1xe8 s HIS 176 Ca 0.18 0.02 -0.30 0.00 0.47 0.00 0.00 55.06 55.43 1xe8 s HIS 176 Cb 0.16 -1.59 0.08 0.00 -0.13 0.00 0.00 32.58 31.10 1xe8 s HIS 176 CO 0.39 0.47 0.75 0.95 -2.47 0.00 0.00 174.74 174.82 1xe8 s THR 177 N -1.21 0.00 -0.16 0.89 -4.23 -1.23 -5.01 115.64 104.67 1xe8 s THR 177 Ca 0.23 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1xe8 s THR 177 Cb -0.12 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.79 1xe8 s THR 177 CO 0.15 0.00 0.11 0.72 -0.54 0.00 0.00 174.62 175.06 1xe8 s PHE 178 N -1.33 0.09 0.34 3.99 -0.12 -1.26 -1.38 117.98 118.30 1xe8 s PHE 178 Ca -0.08 -0.14 -0.26 0.00 -0.05 0.00 0.00 56.93 56.39 1xe8 s PHE 178 Cb -0.00 -0.60 -0.13 0.00 -0.63 0.00 0.00 43.02 41.66 1xe8 s PHE 178 CO 0.07 -0.49 0.93 1.47 -0.05 0.00 0.00 175.22 177.14 1xe8 n LEU 179 N 5.29 1.70 -4.92 -1.99 -0.00 -1.26 -4.97 117.00 110.85 1xe8 n LEU 179 Ca -0.06 1.10 -0.31 0.00 -0.00 0.00 0.00 56.01 56.73 1xe8 n LEU 179 Cb 0.49 -1.27 -0.04 0.00 -0.00 0.00 0.00 43.42 42.60 1xe8 n LEU 179 CO 0.09 -1.67 -0.15 -0.54 -0.00 0.00 0.00 177.39 175.12 1xe8 s LYS 180 N -1.68 3.44 0.16 1.47 1.02 -1.26 -4.75 119.74 118.13 1xe8 s LYS 180 Ca 0.61 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1xe8 s LYS 180 Cb -0.65 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1xe8 s LYS 180 CO 0.59 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 176.04 1xe8 n GLY 181 N 0.37 0.51 0.00 -3.33 0.00 -1.26 -3.72 105.19 97.76 1xe8 n GLY 181 Ca -0.06 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1xe8 n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xe8 n GLU 182 N -0.00 0.46 0.04 1.61 2.13 -1.26 -4.23 120.64 119.39 1xe8 n GLU 182 Ca 0.00 -0.04 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 1xe8 n GLU 182 Cb 0.00 -1.45 -0.04 0.00 0.27 0.00 0.00 31.44 30.22 1xe8 n GLU 182 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1xe8 h ASP 183 N 0.00 -0.76 0.43 4.31 3.32 -2.00 0.90 116.42 122.62 1xe8 h ASP 183 Ca 0.00 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1xe8 h ASP 183 Cb 0.58 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1xe8 h ASP 183 CO 0.00 -0.31 -0.32 -0.08 -1.72 0.00 0.00 179.24 176.81 1xe8 h GLU 184 N -0.36 0.00 -0.16 3.56 4.81 -1.78 -1.96 114.58 118.70 1xe8 h GLU 184 Ca 0.08 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1xe8 h GLU 184 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xe8 h GLU 184 CO -0.26 0.32 -0.38 1.25 -0.73 0.00 0.00 179.01 179.21 1xe8 h LEU 185 N 0.00 0.35 -0.16 1.64 6.46 -1.06 -3.12 115.31 119.41 1xe8 h LEU 185 Ca -0.00 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 1xe8 h LEU 185 Cb 0.62 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1xe8 h LEU 185 CO 0.04 0.71 -0.05 0.11 -0.62 0.00 0.00 178.44 178.63 1xe8 h LYS 186 N 0.29 0.32 -1.22 1.25 1.57 0.15 -1.29 116.57 117.63 1xe8 h LYS 186 Ca 0.03 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xe8 h LYS 186 Cb 0.81 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1xe8 h LYS 186 CO 0.06 0.61 0.00 0.72 -0.57 0.00 0.00 179.45 180.27 1xe8 n HIS 187 N -4.67 0.00 0.00 -1.35 8.25 -1.02 -1.98 115.22 114.45 1xe8 n HIS 187 Ca -0.05 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1xe8 n HIS 187 Cb 0.27 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1xe8 n HIS 187 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xe8 n LEU 188 N 0.68 0.00 -3.72 2.41 4.77 -1.10 -5.04 117.00 115.00 1xe8 n LEU 188 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1xe8 n LEU 188 Cb 0.44 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1xe8 n LEU 188 CO 0.00 0.00 0.08 -0.69 -1.33 0.00 0.00 177.39 175.45 1xe8 s VAL 189 N -0.60 0.06 0.15 4.08 1.01 -0.50 -3.97 120.40 120.62 1xe8 s VAL 189 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 1xe8 s VAL 189 Cb 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 36.38 35.46 1xe8 s VAL 189 CO 0.00 -0.25 0.99 0.61 0.00 0.00 0.00 175.10 176.44 1xe8 n GLY 190 N 1.02 -0.44 0.23 4.51 0.00 -1.26 -4.16 105.19 105.09 1xe8 n GLY 190 Ca -0.20 0.52 0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 2.67 0.00 0.01 1.61 0.13 -1.91 0.15 132.00 134.66 1xe8 h PRO 191 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xe8 h PRO 191 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1xe8 h PRO 191 CO 0.65 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.47 1xe8 h GLU 192 N 0.00 -0.01 -0.34 0.86 4.11 -1.96 -2.90 114.58 114.34 1xe8 h GLU 192 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.53 1xe8 h GLU 192 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1xe8 h GLU 192 CO 0.00 -0.01 0.32 -0.22 0.07 0.00 0.00 179.01 179.17 1xe8 h LYS 193 N -0.53 0.00 -0.25 1.06 1.63 -1.59 0.91 116.57 117.80 1xe8 h LYS 193 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1xe8 h LYS 193 Cb 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1xe8 h LYS 193 CO 0.00 0.00 -0.05 0.00 -3.45 0.00 0.00 179.45 175.95 1xe8 h ALA 194 N 1.68 0.34 -0.80 5.00 0.00 -0.86 -2.88 119.26 121.73 1xe8 h ALA 194 Ca 0.16 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.00 1xe8 h ALA 194 Cb 0.79 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 1xe8 h ALA 194 CO -0.00 0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.53 1xe8 h ALA 195 N 0.77 1.04 -0.51 0.00 0.00 -0.59 0.23 119.26 120.18 1xe8 h ALA 195 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xe8 h ALA 195 Cb 0.52 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1xe8 h ALA 195 CO 0.02 -0.41 0.23 1.49 0.00 0.00 0.00 179.25 180.58 1xe8 h GLU 196 N 0.20 0.75 -1.65 0.00 4.81 -1.50 -2.85 114.58 114.33 1xe8 h GLU 196 Ca 0.47 -0.12 -0.40 0.00 -0.13 0.00 0.00 59.36 59.18 1xe8 h GLU 196 Cb 0.88 -0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.97 1xe8 h GLU 196 CO -0.62 0.64 0.43 1.28 -0.73 0.00 0.00 179.01 180.01 1xe8 n LEU 197 N -4.57 6.53 -0.00 1.64 4.77 0.75 -4.39 117.00 121.72 1xe8 n LEU 197 Ca 0.02 -3.60 -0.19 0.00 -0.03 0.00 0.00 56.01 52.21 1xe8 n LEU 197 Cb 0.14 -1.11 -0.14 0.00 -2.33 0.00 0.00 43.42 39.97 1xe8 n LEU 197 CO 0.38 1.41 -0.78 0.00 -1.33 0.00 0.00 177.39 177.06 1xe8 n ALA 198 N 0.47 0.99 0.08 -1.18 0.00 -0.85 -4.13 120.51 115.89 1xe8 n ALA 198 Ca 0.38 -0.63 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1xe8 n ALA 198 Cb 0.58 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.38 1xe8 n ALA 198 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1xe8 n PHE 199 N -3.41 0.00 -0.19 0.00 -0.00 -1.26 -0.73 117.46 111.87 1xe8 n PHE 199 Ca -0.30 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.25 1xe8 n PHE 199 Cb 1.05 -0.50 0.26 0.00 -0.00 0.00 0.00 39.48 40.29 1xe8 n PHE 199 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1xe8 n LEU 200 N -1.50 3.57 0.00 5.98 4.77 -1.26 -4.93 117.00 123.64 1xe8 n LEU 200 Ca 0.01 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1xe8 n LEU 200 Cb 0.03 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1xe8 n LEU 200 CO 0.02 0.87 0.00 0.00 -1.33 0.00 0.00 177.39 176.95 1xe8 n ALA 201 N 1.32 0.00 0.00 -1.18 0.00 0.09 -1.05 120.51 119.70 1xe8 n ALA 201 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xe8 n ALA 201 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1xe8 n ALA 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08