#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 0.00 -0.07 0.00 4.05 -1.24 -2.95 115.26 115.05 1xe8 n ASN 10 Ca 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.99 1xe8 n ASN 10 Cb 0.00 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 40.86 1xe8 n ASN 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xe8 n ALA 11 N 0.00 1.86 -1.60 5.20 0.00 -0.30 -4.95 120.51 120.72 1xe8 n ALA 11 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 53.44 52.42 1xe8 n ALA 11 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.55 -2.82 -2.60 0.00 0.00 -1.26 -4.90 120.51 106.38 1xe8 n ALA 12 Ca -0.23 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1xe8 n ALA 12 Cb 0.94 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.22 4.17 -0.45 0.00 1.01 -1.26 -4.93 121.20 119.52 1xe8 s ILE 13 Ca -0.03 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1xe8 s ILE 13 Cb 0.00 -4.64 0.19 0.00 0.01 0.00 0.00 42.46 38.02 1xe8 s ILE 13 CO 0.08 -1.23 0.41 -0.62 0.00 0.00 0.00 174.94 173.59 1xe8 n GLU 14 N 8.02 0.57 -1.66 2.79 1.02 -1.26 -5.11 120.64 125.01 1xe8 n GLU 14 Ca 0.06 -3.38 -0.56 0.00 -0.02 0.00 0.00 57.16 53.26 1xe8 n GLU 14 Cb 0.48 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 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 2.36 1.04 -0.54 3.49 -0.02 -1.26 -4.97 135.00 135.10 1xe8 n PRO 15 Ca 0.27 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 1xe8 n PRO 15 Cb 0.47 -2.03 0.28 0.00 -0.02 0.00 0.00 33.50 32.21 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 2.15 -0.41 0.04 3.55 0.00 -1.26 -4.71 121.76 121.13 1xe8 s ALA 16 Ca 0.93 -0.95 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1xe8 s ALA 16 Cb -1.06 -2.88 -0.17 0.00 0.00 0.00 0.00 23.12 19.01 1xe8 s ALA 16 CO 0.59 -4.45 1.52 0.66 0.00 0.00 0.00 175.76 174.08 1xe8 h SER 17 N -3.32 -0.06 0.32 0.00 4.64 -1.94 -2.76 113.55 110.44 1xe8 h SER 17 Ca -0.41 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1xe8 h SER 17 Cb 1.32 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1xe8 h SER 17 CO 0.26 0.16 0.00 2.19 -0.87 0.00 0.00 176.83 178.57 1xe8 h PHE 18 N -0.27 0.00 0.04 4.77 -0.00 -1.92 -0.71 116.94 118.84 1xe8 h PHE 18 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 1xe8 h PHE 18 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.21 1xe8 h PHE 18 CO -0.01 0.00 -0.44 0.28 -0.00 0.00 0.00 178.31 178.14 1xe8 h VAL 19 N 0.00 1.55 -0.05 0.88 2.07 -1.82 -2.29 116.25 116.58 1xe8 h VAL 19 Ca 0.00 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 1xe8 h VAL 19 Cb 0.16 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1xe8 h VAL 19 CO 0.00 0.61 -0.02 0.11 0.02 0.00 0.00 177.57 178.29 1xe8 h LYS 20 N -0.46 0.11 -3.78 1.57 1.57 -1.20 -3.37 116.57 111.01 1xe8 h LYS 20 Ca -0.07 -0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.02 1xe8 h LYS 20 Cb 1.25 -0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.15 1xe8 h LYS 20 CO 0.09 0.46 -0.65 0.08 -0.57 0.00 0.00 179.45 178.86 1xe8 s VAL 21 N -4.66 2.52 0.00 0.50 1.01 -0.32 -5.13 120.40 114.32 1xe8 s VAL 21 Ca -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 58.81 1xe8 s VAL 21 Cb 0.04 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1xe8 s VAL 21 CO 0.69 -0.74 0.00 -0.81 0.00 0.00 0.00 175.10 174.24 1xe8 n PRO 22 N 3.46 2.58 -0.02 2.72 -0.04 -0.86 -4.14 135.00 138.70 1xe8 n PRO 22 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1xe8 n PRO 22 Cb 0.35 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.77 -3.75 0.54 -0.04 -1.26 -5.01 135.00 126.25 1xe8 n PRO 24 Ca 0.00 -0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1xe8 n PRO 24 Cb 0.00 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1xe8 n PRO 24 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xe8 s GLU 25 N -2.75 0.63 0.45 0.54 2.56 -1.26 -4.96 118.70 113.91 1xe8 s GLU 25 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.97 54.84 1xe8 s GLU 25 Cb 0.07 0.29 -0.02 0.00 2.00 0.00 0.00 34.13 36.46 1xe8 s GLU 25 CO 0.52 -0.16 0.71 -1.25 -0.56 0.00 0.00 175.26 174.51 1xe8 s PRO 26 N -1.05 3.33 0.80 4.30 0.04 -1.26 -4.42 135.00 136.74 1xe8 s PRO 26 Ca -0.11 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 60.64 1xe8 s PRO 26 Cb -0.05 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 32.06 1xe8 s PRO 26 CO 0.04 -0.18 1.00 -0.35 0.04 0.00 0.00 177.00 177.54 1xe8 n PRO 27 N -2.12 0.19 0.27 0.56 -0.04 -1.26 -4.74 135.00 127.85 1xe8 n PRO 27 Ca -0.00 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1xe8 n PRO 27 Cb 0.56 -2.27 0.76 0.00 -0.04 0.00 0.00 33.50 32.51 1xe8 n PRO 27 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xe8 h SER 28 N -0.82 0.00 -0.31 3.54 4.64 -1.98 -2.46 113.55 116.16 1xe8 h SER 28 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1xe8 h SER 28 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1xe8 h SER 28 CO 0.44 0.05 0.11 0.77 -0.87 0.00 0.00 176.83 177.33 1xe8 h SER 29 N 0.00 0.44 0.23 4.97 4.64 -1.97 0.04 113.55 121.91 1xe8 h SER 29 Ca -0.00 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1xe8 h SER 29 Cb 0.11 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1xe8 h SER 29 CO 0.01 0.51 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.17 1xe8 h LEU 30 N 0.35 0.02 0.01 5.97 3.38 -1.80 -2.06 115.31 121.19 1xe8 h LEU 30 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xe8 h LEU 30 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xe8 h LEU 30 CO -0.01 0.27 -0.01 1.56 0.09 0.00 0.00 178.44 180.35 1xe8 h GLN 31 N 0.02 -0.02 -0.12 1.13 1.08 -0.98 0.18 115.11 116.40 1xe8 h GLN 31 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1xe8 h GLN 31 Cb 0.45 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.82 1xe8 h GLN 31 CO 0.03 0.24 -0.51 1.96 -0.95 0.00 0.00 178.83 179.61 1xe8 h GLN 32 N -0.28 -0.52 -0.88 1.46 1.08 -0.57 0.22 115.11 115.62 1xe8 h GLN 32 Ca -0.00 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.37 1xe8 h GLN 32 Cb 0.27 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.73 1xe8 h GLN 32 CO 0.00 -0.35 0.49 1.25 -0.95 0.00 0.00 178.83 179.28 1xe8 h LEU 33 N -0.54 0.64 -0.36 1.46 6.46 -1.37 0.68 115.31 122.29 1xe8 h LEU 33 Ca 0.03 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1xe8 h LEU 33 Cb 0.63 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1xe8 h LEU 33 CO -0.40 0.30 0.16 0.40 -0.62 0.00 0.00 178.44 178.28 1xe8 h ILE 34 N 0.73 1.17 -0.03 4.05 2.04 0.50 -1.64 117.51 124.33 1xe8 h ILE 34 Ca 0.47 -0.51 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 1xe8 h ILE 34 Cb 0.60 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1xe8 h ILE 34 CO -0.33 0.19 -0.73 0.78 0.00 0.00 0.00 178.15 178.06 1xe8 h ASN 35 N 0.44 0.69 -0.68 1.72 2.35 0.62 -0.65 115.58 120.07 1xe8 h ASN 35 Ca 0.12 -0.73 -0.01 0.00 -0.55 0.00 0.00 56.30 55.14 1xe8 h ASN 35 Cb 0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1xe8 h ASN 35 CO -0.01 1.32 0.39 0.44 -1.65 0.00 0.00 177.43 177.92 1xe8 h ASP 36 N 0.12 0.83 0.69 5.81 3.32 0.31 -2.23 116.42 125.27 1xe8 h ASP 36 Ca -0.08 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1xe8 h ASP 36 Cb 1.41 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1xe8 h ASP 36 CO 0.15 0.67 -0.23 0.79 -1.72 0.00 0.00 179.24 178.90 1xe8 n TRP 37 N -4.54 0.00 -3.52 4.55 7.02 -0.62 -4.95 117.44 115.38 1xe8 n TRP 37 Ca 0.05 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.34 1xe8 n TRP 37 Cb 0.07 -0.34 0.07 0.00 -2.42 0.00 0.00 31.31 28.69 1xe8 n TRP 37 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xe8 n GLN 38 N -1.41 -6.38 -2.11 -0.99 6.02 -0.37 -4.98 117.38 107.16 1xe8 n GLN 38 Ca 0.08 0.79 -0.32 0.00 -0.01 0.00 0.00 57.00 57.54 1xe8 n GLN 38 Cb 0.33 -5.71 -0.01 0.00 1.02 0.00 0.00 30.24 25.87 1xe8 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xe8 s LEU 39 N -6.57 3.44 0.12 1.08 1.43 -0.52 -4.93 118.68 112.73 1xe8 s LEU 39 Ca 0.09 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1xe8 s LEU 39 Cb -0.04 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1xe8 s LEU 39 CO 0.75 -0.83 -0.09 0.27 0.23 0.00 0.00 176.35 176.68 1xe8 s ILE 40 N -2.81 0.97 0.12 -0.59 -4.36 -0.56 -4.86 121.20 109.11 1xe8 s ILE 40 Ca 0.58 -1.86 -0.31 0.00 -0.26 0.00 0.00 60.65 58.80 1xe8 s ILE 40 Cb -0.11 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 41.89 1xe8 s ILE 40 CO 0.41 -0.70 1.56 -0.54 0.24 0.00 0.00 174.94 175.91 1xe8 s LYS 41 N -3.38 4.23 0.64 0.37 1.02 -1.26 -1.43 119.74 119.93 1xe8 s LYS 41 Ca 0.11 2.29 -0.08 0.00 0.02 0.00 0.00 55.97 58.31 1xe8 s LYS 41 Cb 0.01 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1xe8 s LYS 41 CO -0.01 -0.62 0.98 -1.58 -0.92 0.00 0.00 175.35 173.21 1xe8 s HIS 42 N 1.65 3.25 0.16 3.18 5.65 -0.70 -4.91 115.29 123.58 1xe8 s HIS 42 Ca 0.70 0.77 -0.12 0.00 0.25 0.00 0.00 55.06 56.67 1xe8 s HIS 42 Cb -0.41 -2.90 0.05 0.00 -1.18 0.00 0.00 32.58 28.14 1xe8 s HIS 42 CO 0.31 -1.01 1.67 0.00 -0.65 0.00 0.00 174.74 175.06 1xe8 h ARG 43 N -0.39 0.91 -0.19 2.88 3.08 -1.94 -2.94 114.38 115.79 1xe8 h ARG 43 Ca -0.45 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.30 1xe8 h ARG 43 Cb 1.26 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1xe8 h ARG 43 CO 0.62 0.85 -0.22 0.93 -1.07 0.00 0.00 179.97 181.08 1xe8 h GLU 44 N 0.81 0.34 0.00 0.04 3.07 -1.94 -3.49 114.58 113.42 1xe8 h GLU 44 Ca 0.18 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1xe8 h GLU 44 Cb 0.36 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1xe8 h GLU 44 CO 0.00 0.55 0.00 0.41 -1.40 0.00 0.00 179.01 178.57 1xe8 n GLY 45 N -0.57 2.93 0.30 -3.84 0.00 -1.11 -2.22 105.19 100.69 1xe8 n GLY 45 Ca -0.01 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.52 -1.54 3.55 -0.02 0.00 -1.25 -4.34 105.19 100.08 1xe8 n GLY 46 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.45 2.67 0.28 1.61 1.51 0.22 -1.71 117.35 120.48 1xe8 s TYR 47 Ca 0.00 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1xe8 s TYR 47 Cb 0.00 -1.39 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1xe8 s TYR 47 CO 0.00 0.43 0.48 -0.59 -1.11 0.00 0.00 175.55 174.76 1xe8 s PHE 48 N -1.27 0.60 -0.30 2.71 -0.12 -0.51 0.14 117.98 119.24 1xe8 s PHE 48 Ca 0.21 -0.94 -0.10 0.00 -0.05 0.00 0.00 56.93 56.05 1xe8 s PHE 48 Cb -0.11 0.11 0.18 0.00 -0.63 0.00 0.00 43.02 42.57 1xe8 s PHE 48 CO 0.13 -1.06 0.95 0.21 -0.05 0.00 0.00 175.22 175.41 1xe8 s LYS 49 N -3.62 0.26 -0.14 1.99 2.20 -0.82 -1.50 119.74 118.12 1xe8 s LYS 49 Ca 0.25 0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.98 1xe8 s LYS 49 Cb -0.00 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1xe8 s LYS 49 CO 0.13 -0.34 1.82 -2.00 -0.36 0.00 0.00 175.35 174.60 1xe8 s GLU 50 N 2.93 3.80 0.00 4.03 2.12 -1.26 -2.33 118.70 127.99 1xe8 s GLU 50 Ca 0.08 2.03 0.17 0.00 0.36 0.00 0.00 54.97 57.61 1xe8 s GLU 50 Cb -0.09 -4.13 -0.14 0.00 0.26 0.00 0.00 34.13 30.03 1xe8 s GLU 50 CO -0.16 -1.31 0.76 0.25 -0.54 0.00 0.00 175.26 174.26 1xe8 n THR 51 N 6.34 0.00 -3.65 -1.70 -2.24 0.81 -4.95 114.28 108.89 1xe8 n THR 51 Ca 0.21 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1xe8 n THR 51 Cb 0.44 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.64 1xe8 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xe8 s ASP 52 N -2.47 -0.51 -0.22 3.42 3.68 -1.14 -4.95 116.67 114.47 1xe8 s ASP 52 Ca 0.08 0.76 -0.03 0.00 2.13 0.00 0.00 52.55 55.48 1xe8 s ASP 52 Cb 0.13 0.76 0.11 0.00 -1.45 0.00 0.00 42.92 42.47 1xe8 s ASP 52 CO 0.64 -0.38 0.31 -0.60 0.13 0.00 0.00 175.17 175.27 1xe8 s ARG 53 N -0.54 0.27 0.23 4.34 3.52 -1.26 -0.90 118.95 124.62 1xe8 s ARG 53 Ca -0.07 0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 1xe8 s ARG 53 Cb -0.03 -0.71 -0.15 0.00 -1.56 0.00 0.00 34.95 32.50 1xe8 s ARG 53 CO 0.04 -0.61 0.93 0.45 -0.81 0.00 0.00 175.30 175.31 1xe8 n SER 54 N 5.35 0.68 0.00 -2.12 2.88 0.16 -4.83 113.62 115.75 1xe8 n SER 54 Ca -0.05 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 1xe8 n SER 54 Cb 0.50 -1.18 0.63 0.00 -0.75 0.00 0.00 64.21 63.40 1xe8 n SER 54 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xe8 n PRO 55 N 1.05 0.08 -3.54 -1.46 -0.02 -1.26 -4.45 135.00 125.40 1xe8 n PRO 55 Ca 0.13 0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1xe8 n PRO 55 Cb 0.28 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 1xe8 n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1xe8 s TYR 56 N -2.92 3.59 0.00 6.00 2.02 -1.26 -5.00 117.35 119.77 1xe8 s TYR 56 Ca 0.16 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1xe8 s TYR 56 Cb 0.19 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1xe8 s TYR 56 CO 0.50 0.45 0.00 0.25 -1.57 0.00 0.00 175.55 175.19 1xe8 n THR 57 N 2.70 0.00 -4.77 -0.71 -2.24 -1.26 0.56 114.28 108.57 1xe8 n THR 57 Ca -0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 1xe8 n THR 57 Cb 0.52 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.88 1.43 -0.02 -0.78 0.41 -1.26 -4.77 118.70 112.82 1xe8 s GLU 59 Ca 0.00 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 1xe8 s GLU 59 Cb 0.00 -1.44 0.01 0.00 -1.78 0.00 0.00 34.13 30.92 1xe8 s GLU 59 CO 0.00 0.38 0.04 0.08 -0.49 0.00 0.00 175.26 175.27 1xe8 s VAL 60 N -0.60 -0.02 0.06 2.63 1.01 0.31 -4.97 120.40 118.82 1xe8 s VAL 60 Ca 0.07 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1xe8 s VAL 60 Cb -0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1xe8 s VAL 60 CO 0.00 0.02 1.07 -1.61 0.00 0.00 0.00 175.10 174.59 1xe8 s GLU 61 N 0.31 4.54 -0.04 2.72 8.01 -1.26 -1.53 118.70 131.45 1xe8 s GLU 61 Ca -0.02 1.59 0.01 0.00 0.01 0.00 0.00 54.97 56.55 1xe8 s GLU 61 Cb -0.04 -3.38 0.03 0.00 -4.31 0.00 0.00 34.13 26.43 1xe8 s GLU 61 CO -0.01 -0.07 -0.01 0.21 0.01 0.00 0.00 175.26 175.38 1xe8 s LYS 62 N 0.70 0.48 0.36 1.61 2.20 0.10 -4.93 119.74 120.26 1xe8 s LYS 62 Ca 0.53 0.02 -0.27 0.00 -0.36 0.00 0.00 55.97 55.89 1xe8 s LYS 62 Cb -0.25 -0.61 -0.09 0.00 -1.51 0.00 0.00 37.83 35.36 1xe8 s LYS 62 CO 0.30 -0.12 1.22 -1.25 -0.36 0.00 0.00 175.35 175.13 1xe8 s PRO 63 N 1.02 4.25 -0.25 4.03 0.04 -1.26 0.59 135.00 143.42 1xe8 s PRO 63 Ca -0.10 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1xe8 s PRO 63 Cb -0.14 -2.92 -0.16 0.00 0.04 0.00 0.00 34.50 31.33 1xe8 s PRO 63 CO -0.01 -0.20 -0.14 0.28 0.04 0.00 0.00 177.00 176.97 1xe8 n VAL 64 N 0.53 1.55 -0.59 -0.36 0.31 -1.26 -4.85 118.33 113.66 1xe8 n VAL 64 Ca 0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1xe8 n VAL 64 Cb 0.44 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1xe8 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xe8 n ASN 70 N -4.02 0.00 -4.44 4.52 5.15 -1.26 -5.10 115.26 110.11 1xe8 n ASN 70 Ca -0.46 0.39 -0.23 0.00 -0.60 0.00 0.00 54.58 53.69 1xe8 n ASN 70 Cb 0.88 -0.59 0.12 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.24 0.00 0.00 -0.44 -2.24 -1.26 -5.08 114.28 105.50 1xe8 n THR 71 Ca 0.00 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1xe8 n THR 71 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1xe8 n THR 71 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xe8 n GLU 72 N -2.82 0.00 0.00 -0.78 2.13 0.20 -4.93 120.64 114.43 1xe8 n GLU 72 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1xe8 n GLU 72 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1xe8 n GLU 72 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1xe8 n VAL 74 N 0.00 0.00 -4.85 6.31 0.24 -0.58 0.02 118.33 119.47 1xe8 n VAL 74 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 1xe8 n VAL 74 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.00 3.03 0.36 3.34 -1.32 -1.26 -0.53 115.64 117.26 1xe8 s THR 75 Ca 0.00 -0.70 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 1xe8 s THR 75 Cb 0.00 -2.22 -0.06 0.00 -1.51 0.00 0.00 72.50 68.71 1xe8 s THR 75 CO 0.00 0.56 0.05 -0.13 -2.21 0.00 0.00 174.62 172.89 1xe8 s ARG 76 N -0.23 1.78 0.68 7.08 1.81 -1.26 -5.01 118.95 123.80 1xe8 s ARG 76 Ca 0.01 -2.01 -0.11 0.00 -1.72 0.00 0.00 55.73 51.90 1xe8 s ARG 76 Cb -0.13 -1.04 -0.00 0.00 -0.45 0.00 0.00 34.95 33.32 1xe8 s ARG 76 CO 0.03 -0.20 1.07 -0.80 -0.68 0.00 0.00 175.30 174.72 1xe8 s ASN 77 N -3.57 5.68 0.16 0.23 -0.87 -1.26 -4.31 114.94 111.00 1xe8 s ASN 77 Ca 0.33 1.29 -0.09 0.00 -1.57 0.00 0.00 52.86 52.82 1xe8 s ASN 77 Cb 0.08 -2.19 0.02 0.00 -0.02 0.00 0.00 41.25 39.14 1xe8 s ASN 77 CO 0.15 -1.21 1.54 1.56 -2.57 0.00 0.00 177.10 176.57 1xe8 h GLN 78 N -0.56 0.96 -3.30 -0.60 4.20 -0.10 -1.65 115.11 114.05 1xe8 h GLN 78 Ca -0.45 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 57.80 1xe8 h GLN 78 Cb 1.23 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.87 1xe8 h GLN 78 CO 0.62 1.10 0.01 -1.54 -0.67 0.00 0.00 178.83 178.34 1xe8 s SER 79 N -6.76 -0.30 -0.01 1.46 1.04 -1.26 -2.53 113.70 105.35 1xe8 s SER 79 Ca -0.11 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1xe8 s SER 79 Cb 0.12 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 1xe8 s SER 79 CO 0.87 -0.94 0.04 0.42 0.98 0.00 0.00 173.24 174.61 1xe8 s THR 80 N -3.82 0.03 -0.02 2.02 -4.23 -1.05 -0.66 115.64 107.91 1xe8 s THR 80 Ca 0.05 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1xe8 s THR 80 Cb 0.00 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.69 1xe8 s THR 80 CO -0.09 -0.14 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.43 1xe8 s LEU 81 N -0.41 2.04 0.11 4.79 2.96 -0.08 -1.81 118.68 126.29 1xe8 s LEU 81 Ca -0.05 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1xe8 s LEU 81 Cb -0.03 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1xe8 s LEU 81 CO -0.00 0.24 0.04 0.27 -1.32 0.00 0.00 176.35 175.58 1xe8 s ILE 82 N -0.47 0.13 -0.07 6.68 -4.36 -0.81 -0.13 121.20 122.17 1xe8 s ILE 82 Ca 0.08 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1xe8 s ILE 82 Cb -0.08 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1xe8 s ILE 82 CO -0.01 -0.60 -0.01 -0.31 0.24 0.00 0.00 174.94 174.25 1xe8 s TYR 83 N -4.01 3.11 -0.04 1.37 1.51 -0.98 -1.70 117.35 116.60 1xe8 s TYR 83 Ca 0.19 0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 1xe8 s TYR 83 Cb 0.08 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1xe8 s TYR 83 CO -0.01 0.44 -0.10 -0.47 -1.11 0.00 0.00 175.55 174.30 1xe8 s TYR 84 N -0.89 1.13 -0.06 2.71 5.04 -0.40 -1.94 117.35 122.94 1xe8 s TYR 84 Ca 0.14 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 1xe8 s TYR 84 Cb -0.11 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.39 1xe8 s TYR 84 CO 0.03 -0.18 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.85 1xe8 s LEU 85 N 0.47 1.14 0.04 6.97 2.96 0.38 -1.99 118.68 128.65 1xe8 s LEU 85 Ca -0.09 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1xe8 s LEU 85 Cb -0.12 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1xe8 s LEU 85 CO 0.02 -0.09 0.12 -0.76 -1.32 0.00 0.00 176.35 174.31 1xe8 s LEU 86 N 1.25 4.02 0.13 -0.68 1.43 -0.76 0.73 118.68 124.80 1xe8 s LEU 86 Ca -0.06 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1xe8 s LEU 86 Cb -0.14 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1xe8 s LEU 86 CO -0.02 0.21 0.33 0.42 0.23 0.00 0.00 176.35 177.52 1xe8 s THR 87 N -1.35 0.09 0.56 5.49 -4.23 -0.88 -2.11 115.64 113.21 1xe8 s THR 87 Ca 0.28 -0.91 0.26 0.00 -1.18 0.00 0.00 61.69 60.15 1xe8 s THR 87 Cb -0.12 -1.36 0.37 0.00 1.34 0.00 0.00 72.50 72.72 1xe8 s THR 87 CO 0.21 -0.40 2.04 1.55 -0.54 0.00 0.00 174.62 177.48 1xe8 h PRO 88 N 2.50 0.00 -0.13 3.99 0.13 -1.91 0.26 132.00 136.83 1xe8 h PRO 88 Ca -0.33 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1xe8 h PRO 88 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1xe8 h PRO 88 CO 0.49 0.00 -0.06 0.22 -0.23 0.00 0.00 178.00 178.42 1xe8 h ASP 89 N 0.00 -0.20 -2.07 1.44 3.58 -1.93 -3.38 116.42 113.85 1xe8 h ASP 89 Ca 0.15 0.05 -0.33 0.00 0.42 0.00 0.00 57.03 57.32 1xe8 h ASP 89 Cb 0.71 0.12 -0.32 0.00 1.72 0.00 0.00 39.33 41.55 1xe8 h ASP 89 CO -0.00 -0.08 -0.65 -0.94 -2.88 0.00 0.00 179.24 174.69 1xe8 s SER 90 N -5.16 1.47 0.00 2.28 1.04 0.15 -4.78 113.70 108.70 1xe8 s SER 90 Ca -0.14 -0.97 0.28 0.00 0.48 0.00 0.00 55.95 55.60 1xe8 s SER 90 Cb 0.09 0.55 0.98 0.00 0.10 0.00 0.00 66.02 67.74 1xe8 s SER 90 CO 0.68 -0.35 1.70 -0.81 0.98 0.00 0.00 173.24 175.44 1xe8 n PRO 91 N 5.02 1.72 -4.85 4.02 -0.04 0.68 -2.07 135.00 139.48 1xe8 n PRO 91 Ca 0.02 -1.05 -0.31 0.00 -0.04 0.00 0.00 63.50 62.13 1xe8 n PRO 91 Cb 0.46 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.00 2.40 -0.53 0.52 1.01 -1.26 -1.13 121.20 120.21 1xe8 s ILE 92 Ca 0.37 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1xe8 s ILE 92 Cb 0.21 -1.96 0.13 0.00 0.01 0.00 0.00 42.46 40.86 1xe8 s ILE 92 CO 0.33 0.38 0.28 -0.83 0.00 0.00 0.00 174.94 175.10 1xe8 s GLY 93 N -1.25 2.47 0.59 6.18 0.00 0.21 -3.77 107.32 111.75 1xe8 s GLY 93 Ca 0.13 -3.29 -0.18 0.00 0.00 0.00 0.00 44.72 41.37 1xe8 s GLY 93 CO 0.03 1.02 0.61 0.28 0.00 0.00 0.00 173.10 175.03 1xe8 n LYS 94 N 3.10 0.55 -1.62 2.90 5.02 -0.94 -2.43 118.16 124.74 1xe8 n LYS 94 Ca 0.06 0.22 -0.58 0.00 -2.02 0.00 0.00 58.31 55.99 1xe8 n LYS 94 Cb 0.32 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 1xe8 n LYS 94 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xe8 n PHE 95 N -1.79 1.85 -3.90 2.13 0.99 0.34 -4.69 117.46 112.39 1xe8 n PHE 95 Ca 0.12 0.59 -0.09 0.00 -0.00 0.00 0.00 57.45 58.07 1xe8 n PHE 95 Cb 0.48 -2.43 -0.08 0.00 -1.00 0.00 0.00 39.48 36.45 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 4.41 0.18 0.12 1.38 -3.43 -0.61 -1.81 115.29 115.52 1xe8 s HIS 96 Ca 1.04 -0.53 0.10 0.00 -0.80 0.00 0.00 55.06 54.87 1xe8 s HIS 96 Cb -1.14 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 29.86 1xe8 s HIS 96 CO 0.65 -0.44 -0.24 0.21 -2.00 0.00 0.00 174.74 172.92 1xe8 s LYS 97 N -3.14 1.29 0.04 -0.38 2.20 0.11 -1.15 119.74 118.71 1xe8 s LYS 97 Ca -0.01 -1.28 0.05 0.00 -0.36 0.00 0.00 55.97 54.37 1xe8 s LYS 97 Cb 0.02 -1.69 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 1xe8 s LYS 97 CO -0.07 0.40 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.38 1xe8 s ASN 98 N -2.02 1.65 0.14 1.43 0.01 -1.26 -1.23 114.94 113.67 1xe8 s ASN 98 Ca 0.11 -0.45 -0.14 0.00 -0.71 0.00 0.00 52.86 51.67 1xe8 s ASN 98 Cb -0.10 -0.11 0.01 0.00 0.41 0.00 0.00 41.25 41.46 1xe8 s ASN 98 CO 0.05 0.03 1.61 0.40 -1.51 0.00 0.00 177.10 177.69 1xe8 h ILE 99 N 4.51 1.25 -2.42 0.60 1.08 -1.77 0.28 117.51 121.05 1xe8 h ILE 99 Ca -0.38 -0.96 -0.48 0.00 -0.39 0.00 0.00 64.86 62.66 1xe8 h ILE 99 Cb 1.18 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 1xe8 h ILE 99 CO 0.44 0.33 -0.37 0.20 -0.69 0.00 0.00 178.15 178.06 1xe8 s ASN 100 N -6.21 6.32 0.42 1.72 0.01 -1.26 -4.25 114.94 111.68 1xe8 s ASN 100 Ca -0.13 0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.97 1xe8 s ASN 100 Cb 0.11 -1.92 -0.08 0.00 0.41 0.00 0.00 41.25 39.77 1xe8 s ASN 100 CO 0.80 -0.11 1.18 0.00 -1.51 0.00 0.00 177.10 177.46 1xe8 s ARG 101 N -3.94 3.95 -0.08 -0.60 1.70 -1.26 -4.04 118.95 114.69 1xe8 s ARG 101 Ca 0.36 1.84 0.05 0.00 -0.47 0.00 0.00 55.73 57.51 1xe8 s ARG 101 Cb -0.09 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 31.68 1xe8 s ARG 101 CO 0.31 -0.41 -0.24 0.42 -1.08 0.00 0.00 175.30 174.30 1xe8 s ILE 102 N -1.44 2.08 -0.13 4.99 1.01 -0.84 -4.09 121.20 122.78 1xe8 s ILE 102 Ca 0.59 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1xe8 s ILE 102 Cb -0.31 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1xe8 s ILE 102 CO 0.38 0.57 0.35 -0.63 0.00 0.00 0.00 174.94 175.60 1xe8 s ILE 103 N 0.05 5.26 -0.07 2.92 1.01 -0.65 -2.16 121.20 127.56 1xe8 s ILE 103 Ca -0.10 0.67 0.05 0.00 0.00 0.00 0.00 60.65 61.27 1xe8 s ILE 103 Cb -0.16 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1xe8 s ILE 103 CO 0.06 0.39 -0.23 -1.00 0.00 0.00 0.00 174.94 174.16 1xe8 s HIS 104 N 0.34 2.51 -0.16 3.97 3.76 0.30 -1.38 115.29 124.63 1xe8 s HIS 104 Ca 0.19 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1xe8 s HIS 104 Cb -0.14 -1.64 0.03 0.00 1.11 0.00 0.00 32.58 31.94 1xe8 s HIS 104 CO 0.06 -0.24 -0.11 0.42 -0.85 0.00 0.00 174.74 174.02 1xe8 s ILE 105 N -0.04 1.46 0.37 0.60 -1.09 -0.20 -1.77 121.20 120.53 1xe8 s ILE 105 Ca -0.07 -0.69 -0.27 0.00 -2.23 0.00 0.00 60.65 57.39 1xe8 s ILE 105 Cb -0.15 -1.46 -0.09 0.00 -1.58 0.00 0.00 42.46 39.18 1xe8 s ILE 105 CO 0.05 0.33 1.21 -0.22 -1.23 0.00 0.00 174.94 175.07 1xe8 s LEU 106 N 1.51 4.30 0.00 2.97 2.96 -0.42 -0.64 118.68 129.36 1xe8 s LEU 106 Ca 0.03 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1xe8 s LEU 106 Cb -0.14 -3.87 0.00 0.00 0.50 0.00 0.00 46.19 42.68 1xe8 s LEU 106 CO -0.09 -0.59 0.00 0.00 -1.32 0.00 0.00 176.35 174.35 1xe8 n GLN 107 N 0.41 0.00 -3.69 1.98 6.02 0.41 -4.88 117.38 117.63 1xe8 n GLN 107 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1xe8 n GLN 107 Cb 0.45 -0.74 -0.08 0.00 1.02 0.00 0.00 30.24 30.89 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 -1.84 0.78 2.42 -1.09 1.81 -0.46 -4.98 118.95 115.59 1xe8 s ARG 108 Ca 0.00 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1xe8 s ARG 108 Cb 0.00 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.86 1xe8 s ARG 108 CO 0.00 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 174.81 1xe8 n GLY 109 N 1.20 -0.93 3.11 -3.53 0.00 -1.26 -0.69 105.19 103.08 1xe8 n GLY 109 Ca -0.21 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 0.43 0.37 1.61 1.02 -1.22 -4.60 119.74 117.35 1xe8 s LYS 110 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.69 1xe8 s LYS 110 Cb 0.00 0.18 0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1xe8 s LYS 110 CO 0.00 -0.10 0.66 0.41 -0.92 0.00 0.00 175.35 175.40 1xe8 n GLY 111 N 1.84 1.45 2.94 -3.33 0.00 -0.61 -2.46 105.19 105.03 1xe8 n GLY 111 Ca -0.20 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1xe8 n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xe8 s GLN 112 N -2.38 0.17 0.04 1.61 0.74 -0.50 -0.02 119.66 119.33 1xe8 s GLN 112 Ca 0.21 -0.29 0.08 0.00 0.05 0.00 0.00 55.36 55.41 1xe8 s GLN 112 Cb -0.03 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1xe8 s GLN 112 CO 0.15 -0.03 -0.23 0.71 -0.55 0.00 0.00 175.29 175.35 1xe8 s TYR 113 N -0.74 2.42 -0.13 1.67 1.51 -0.21 -1.45 117.35 120.42 1xe8 s TYR 113 Ca -0.08 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1xe8 s TYR 113 Cb -0.05 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1xe8 s TYR 113 CO -0.00 0.18 -0.06 0.08 -1.11 0.00 0.00 175.55 174.63 1xe8 s VAL 114 N -0.85 1.03 -0.11 0.71 1.01 -0.16 -1.68 120.40 120.34 1xe8 s VAL 114 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1xe8 s VAL 114 Cb -0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1xe8 s VAL 114 CO 0.03 0.28 -0.08 -0.76 0.00 0.00 0.00 175.10 174.57 1xe8 s LEU 115 N 1.69 3.05 -0.28 3.92 1.43 0.31 -1.69 118.68 127.12 1xe8 s LEU 115 Ca 0.03 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1xe8 s LEU 115 Cb -0.14 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1xe8 s LEU 115 CO -0.08 0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1xe8 s VAL 116 N -0.14 2.78 0.58 -1.59 1.01 -0.09 -0.67 120.40 122.28 1xe8 s VAL 116 Ca 0.01 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 1xe8 s VAL 116 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1xe8 s VAL 116 CO 0.03 -0.02 1.05 -0.31 0.00 0.00 0.00 175.10 175.84 1xe8 s TYR 117 N 1.23 3.07 0.53 5.22 1.51 -0.14 -1.51 117.35 127.25 1xe8 s TYR 117 Ca -0.05 1.50 0.24 0.00 -1.01 0.00 0.00 57.07 57.75 1xe8 s TYR 117 Cb -0.19 -2.97 1.37 0.00 -0.11 0.00 0.00 41.96 40.05 1xe8 s TYR 117 CO -0.03 -1.00 2.02 -1.00 -1.11 0.00 0.00 175.55 174.44 1xe8 h PRO 118 N 0.51 0.01 0.00 -1.71 0.13 -1.90 0.24 132.00 129.28 1xe8 h PRO 118 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xe8 h PRO 118 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xe8 h PRO 118 CO 0.58 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1xe8 n ASP 119 N -4.41 0.00 0.00 1.44 5.68 -1.26 -4.85 116.55 113.15 1xe8 n ASP 119 Ca 0.08 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1xe8 n ASP 119 Cb 0.52 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1xe8 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xe8 n GLY 120 N 0.69 0.41 3.73 6.12 0.00 0.83 -5.07 105.19 111.90 1xe8 n GLY 120 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 4.48 -0.12 1.61 0.74 -1.24 -4.63 119.66 119.53 1xe8 s GLN 121 Ca 0.00 1.86 -0.03 0.00 0.05 0.00 0.00 55.36 57.24 1xe8 s GLN 121 Cb 0.00 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1xe8 s GLN 121 CO 0.00 -0.12 0.02 0.08 -0.55 0.00 0.00 175.29 174.72 1xe8 s VAL 122 N 0.12 4.42 -0.02 1.34 1.01 -1.26 -0.97 120.40 125.05 1xe8 s VAL 122 Ca 0.54 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1xe8 s VAL 122 Cb -0.32 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1xe8 s VAL 122 CO 0.35 0.56 -0.07 -0.75 0.00 0.00 0.00 175.10 175.20 1xe8 s LYS 123 N -0.48 0.74 -0.03 2.72 2.20 0.16 0.45 119.74 125.49 1xe8 s LYS 123 Ca 0.09 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1xe8 s LYS 123 Cb -0.12 -0.71 0.02 0.00 -1.51 0.00 0.00 37.83 35.51 1xe8 s LYS 123 CO 0.02 0.10 0.07 0.45 -0.36 0.00 0.00 175.35 175.63 1xe8 s SER 124 N 0.14 -0.01 0.11 1.43 0.15 -1.15 0.11 113.70 114.48 1xe8 s SER 124 Ca -0.02 0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.69 1xe8 s SER 124 Cb -0.07 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1xe8 s SER 124 CO 0.00 -0.10 0.18 0.72 1.20 0.00 0.00 173.24 175.24 1xe8 s PHE 125 N 0.79 0.36 0.02 3.44 -0.12 -0.68 -1.15 117.98 120.64 1xe8 s PHE 125 Ca -0.06 -0.77 -0.01 0.00 -0.05 0.00 0.00 56.93 56.04 1xe8 s PHE 125 Cb -0.09 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1xe8 s PHE 125 CO -0.03 -0.58 0.15 0.15 -0.05 0.00 0.00 175.22 174.86 1xe8 s LYS 126 N -3.93 3.28 -0.18 1.99 1.02 -1.26 -1.04 119.74 119.61 1xe8 s LYS 126 Ca 0.12 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 1xe8 s LYS 126 Cb 0.05 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1xe8 s LYS 126 CO -0.06 0.64 -0.06 0.08 -0.92 0.00 0.00 175.35 175.03 1xe8 s VAL 127 N -1.34 3.42 -0.09 3.17 1.01 0.97 -1.41 120.40 126.14 1xe8 s VAL 127 Ca 0.28 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1xe8 s VAL 127 Cb -0.12 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 33.85 1xe8 s VAL 127 CO 0.20 0.46 1.38 -0.83 0.00 0.00 0.00 175.10 176.31 1xe8 s GLY 128 N 0.95 -0.26 0.00 4.51 0.00 -0.13 -1.57 107.32 110.82 1xe8 s GLY 128 Ca -0.01 0.28 0.20 0.00 0.00 0.00 0.00 44.72 45.20 1xe8 s GLY 128 CO 0.00 5.83 1.46 0.69 0.00 0.00 0.00 173.10 181.09 1xe8 n PHE 129 N -0.91 0.37 -2.98 1.90 0.99 -1.26 -3.71 117.46 111.86 1xe8 n PHE 129 Ca 0.04 -0.19 -0.44 0.00 -0.00 0.00 0.00 57.45 56.87 1xe8 n PHE 129 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.07 1xe8 n PHE 129 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1xe8 n ASP 130 N 0.77 5.73 0.03 4.37 2.03 -1.26 -4.81 116.55 123.41 1xe8 n ASP 130 Ca 0.17 -3.18 0.02 0.00 0.52 0.00 0.00 54.79 52.32 1xe8 n ASP 130 Cb 0.42 -1.39 0.38 0.00 -0.72 0.00 0.00 41.12 39.81 1xe8 n ASP 130 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1xe8 h TYR 131 N 6.13 0.47 -0.70 -0.67 -0.00 -1.81 -1.73 116.97 118.66 1xe8 h TYR 131 Ca 0.25 -0.02 0.09 0.00 0.00 0.00 0.00 58.73 59.05 1xe8 h TYR 131 Cb 0.74 -0.15 -0.05 0.00 0.00 0.00 0.00 36.73 37.27 1xe8 h TYR 131 CO 0.99 0.40 0.46 0.87 -0.00 0.00 0.00 178.16 180.88 1xe8 h LYS 132 N 0.47 0.58 -0.91 0.10 1.57 -1.88 0.29 116.57 116.80 1xe8 h LYS 132 Ca 0.11 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 1xe8 h LYS 132 Cb 0.15 -0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.21 1xe8 h LYS 132 CO -0.01 0.38 0.25 0.09 -0.57 0.00 0.00 179.45 179.59 1xe8 n ASN 133 N -4.49 3.62 -2.27 0.86 3.02 -0.70 -4.88 115.26 110.42 1xe8 n ASN 133 Ca 0.11 -2.82 -0.15 0.00 -0.03 0.00 0.00 54.58 51.69 1xe8 n ASN 133 Cb 0.33 -0.67 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.17 -0.08 3.62 7.41 0.00 0.10 -5.02 105.19 111.06 1xe8 n GLY 134 Ca 0.29 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.54 3.98 0.13 1.61 2.02 -0.92 -4.60 118.70 115.37 1xe8 s GLU 135 Ca 0.28 -0.33 -0.17 0.00 0.02 0.00 0.00 54.97 54.77 1xe8 s GLU 135 Cb -0.12 -3.34 -0.07 0.00 0.10 0.00 0.00 34.13 30.70 1xe8 s GLU 135 CO 0.35 0.16 0.57 0.08 0.02 0.00 0.00 175.26 176.44 1xe8 s VAL 136 N 0.72 4.78 0.00 2.63 1.01 -0.50 -3.70 120.40 125.34 1xe8 s VAL 136 Ca 0.05 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1xe8 s VAL 136 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1xe8 s VAL 136 CO 0.02 0.36 0.90 -1.54 0.00 0.00 0.00 175.10 174.84 1xe8 n SER 137 N 1.15 1.80 -3.42 3.32 3.41 -1.24 -0.96 113.62 117.67 1xe8 n SER 137 Ca -0.07 -1.80 0.01 0.00 -0.26 0.00 0.00 58.87 56.75 1xe8 n SER 137 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1xe8 n SER 137 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1xe8 s GLN 138 N -0.80 0.51 0.04 4.33 0.74 -1.26 -1.30 119.66 121.91 1xe8 s GLN 138 Ca 0.00 1.14 -0.09 0.00 0.05 0.00 0.00 55.36 56.46 1xe8 s GLN 138 Cb 0.00 0.67 -0.00 0.00 1.10 0.00 0.00 33.01 34.78 1xe8 s GLN 138 CO 0.00 -0.32 0.17 1.67 -0.55 0.00 0.00 175.29 176.26 1xe8 s TRP 139 N 2.83 0.10 -0.08 1.67 -2.14 -0.73 -5.01 118.94 115.58 1xe8 s TRP 139 Ca 0.03 -0.36 0.03 0.00 2.66 0.00 0.00 56.10 58.47 1xe8 s TRP 139 Cb -0.12 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.20 1xe8 s TRP 139 CO -0.19 -0.43 -0.18 0.08 -2.66 0.00 0.00 176.95 173.57 1xe8 s VAL 140 N -2.73 1.58 -0.22 -0.66 1.01 -1.26 -0.54 120.40 117.58 1xe8 s VAL 140 Ca -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1xe8 s VAL 140 Cb -0.00 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1xe8 s VAL 140 CO -0.05 0.45 -0.10 0.54 0.00 0.00 0.00 175.10 175.95 1xe8 s VAL 141 N 0.43 2.74 0.47 2.92 0.11 -0.92 -4.96 120.40 121.20 1xe8 s VAL 141 Ca -0.15 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 57.77 1xe8 s VAL 141 Cb -0.16 -2.31 -0.09 0.00 -1.53 0.00 0.00 36.38 32.29 1xe8 s VAL 141 CO 0.06 0.33 0.98 -2.65 -3.33 0.00 0.00 175.10 170.48 1xe8 n PRO 142 N 4.67 1.22 -1.91 1.54 -0.02 -1.26 -1.98 135.00 137.25 1xe8 n PRO 142 Ca -0.18 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 1xe8 n PRO 142 Cb 0.48 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1xe8 n PRO 142 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xe8 s GLY 143 N -0.88 2.75 0.00 -1.23 0.00 -1.26 -2.43 107.32 104.28 1xe8 s GLY 143 Ca 0.66 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.44 1xe8 s GLY 143 CO 0.54 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.71 1xe8 n GLY 144 N 0.60 2.78 3.66 0.20 0.00 1.00 -4.95 105.19 108.49 1xe8 n GLY 144 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.04 5.05 0.34 1.61 1.01 -1.02 -4.52 120.40 120.83 1xe8 s VAL 145 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 1xe8 s VAL 145 Cb 0.00 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 1xe8 s VAL 145 CO 0.00 0.14 1.24 -0.36 0.00 0.00 0.00 175.10 176.12 1xe8 s PHE 146 N 1.74 3.14 0.02 5.22 0.40 -0.57 -4.47 117.98 123.47 1xe8 s PHE 146 Ca 0.28 1.50 -0.02 0.00 -0.60 0.00 0.00 56.93 58.09 1xe8 s PHE 146 Cb -0.16 -3.55 -0.02 0.00 0.51 0.00 0.00 43.02 39.81 1xe8 s PHE 146 CO 0.10 -1.51 0.01 -1.59 0.70 0.00 0.00 175.22 172.93 1xe8 s LYS 147 N -1.84 0.39 0.14 0.44 -2.85 -0.30 -0.91 119.74 114.81 1xe8 s LYS 147 Ca 0.50 -0.64 -0.09 0.00 -1.00 0.00 0.00 55.97 54.74 1xe8 s LYS 147 Cb -0.36 0.15 -0.00 0.00 -2.06 0.00 0.00 37.83 35.55 1xe8 s LYS 147 CO 0.48 -0.07 0.26 0.00 0.10 0.00 0.00 175.35 176.11 1xe8 s ALA 148 N -1.75 -0.12 -0.04 0.59 0.00 -0.68 -1.58 121.76 118.18 1xe8 s ALA 148 Ca -0.13 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 1xe8 s ALA 148 Cb -0.07 0.73 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1xe8 s ALA 148 CO -0.02 -0.60 0.59 -1.54 0.00 0.00 0.00 175.76 174.19 1xe8 s SER 149 N -2.92 -0.54 0.04 0.00 1.04 -1.02 -0.99 113.70 109.31 1xe8 s SER 149 Ca 0.12 0.56 0.01 0.00 0.48 0.00 0.00 55.95 57.13 1xe8 s SER 149 Cb 0.04 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1xe8 s SER 149 CO -0.04 -0.57 -0.06 0.72 0.98 0.00 0.00 173.24 174.27 1xe8 s PHE 150 N -1.21 0.57 0.33 5.02 -0.71 -0.53 -0.62 117.98 120.83 1xe8 s PHE 150 Ca -0.12 -0.61 -0.29 0.00 -1.04 0.00 0.00 56.93 54.88 1xe8 s PHE 150 Cb -0.01 -0.35 -0.10 0.00 -1.21 0.00 0.00 43.02 41.34 1xe8 s PHE 150 CO 0.08 -0.15 1.30 -1.17 -1.34 0.00 0.00 175.22 173.95 1xe8 s LEU 151 N -1.83 4.43 -0.11 -1.99 0.20 -0.28 -1.41 118.68 117.68 1xe8 s LEU 151 Ca -0.08 2.67 -0.00 0.00 0.69 0.00 0.00 54.13 57.41 1xe8 s LEU 151 Cb -0.07 -3.65 -0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1xe8 s LEU 151 CO -0.01 -0.52 -0.10 -0.76 -0.29 0.00 0.00 176.35 174.66 1xe8 s LEU 152 N -1.79 2.90 0.39 -0.68 1.43 -1.03 -4.69 118.68 115.21 1xe8 s LEU 152 Ca 0.49 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.11 1xe8 s LEU 152 Cb -0.39 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 1xe8 s LEU 152 CO 0.52 0.23 1.21 -0.81 0.23 0.00 0.00 176.35 177.73 1xe8 n PRO 153 N 3.13 1.83 -3.64 1.29 -0.04 -1.26 -4.52 135.00 131.79 1xe8 n PRO 153 Ca -0.18 0.65 -0.05 0.00 -0.04 0.00 0.00 63.50 63.88 1xe8 n PRO 153 Cb 0.53 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.65 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 -0.52 -0.41 0.85 3.54 2.20 -1.26 -4.93 114.94 114.41 1xe8 s ASN 154 Ca 0.60 0.72 -0.09 0.00 -0.94 0.00 0.00 52.86 53.16 1xe8 s ASN 154 Cb -0.54 0.95 0.17 0.00 -2.00 0.00 0.00 41.25 39.82 1xe8 s ASN 154 CO 0.59 -0.12 1.16 -0.70 -2.94 0.00 0.00 177.10 175.09 1xe8 s GLU 155 N 0.75 1.14 0.00 3.55 2.12 -1.26 -0.14 118.70 124.86 1xe8 s GLU 155 Ca -0.02 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1xe8 s GLU 155 Cb -0.04 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1xe8 s GLU 155 CO -0.11 -1.95 0.00 -0.85 -0.54 0.00 0.00 175.26 171.81 1xe8 n GLU 156 N -3.31 0.00 -2.76 4.30 0.28 -1.26 -4.59 120.64 113.30 1xe8 n GLU 156 Ca 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.13 1xe8 n GLU 156 Cb 0.60 -0.09 0.08 0.00 1.43 0.00 0.00 31.44 33.46 1xe8 n GLU 156 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1xe8 n PHE 157 N -0.32 -0.16 -3.78 -1.84 7.35 -1.26 -4.80 117.46 112.65 1xe8 n PHE 157 Ca 0.00 -2.03 -0.23 0.00 -0.76 0.00 0.00 57.45 54.43 1xe8 n PHE 157 Cb 0.00 0.51 -0.06 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.90 0.16 -3.28 -2.13 8.00 -1.25 0.49 116.55 117.64 1xe8 n ASP 158 Ca -0.02 -0.88 -0.24 0.00 0.71 0.00 0.00 54.79 54.36 1xe8 n ASP 158 Cb 0.83 -1.09 0.04 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.79 -5.68 -4.61 -2.24 3.02 0.80 -4.77 115.26 99.99 1xe8 n ASN 159 Ca -0.20 -0.40 -0.26 0.00 -0.03 0.00 0.00 54.58 53.68 1xe8 n ASN 159 Cb 0.47 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 34.98 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 -2.89 2.24 -0.23 7.41 0.00 0.18 -3.97 107.32 110.06 1xe8 s GLY 160 Ca 0.41 -2.10 -0.04 0.00 0.00 0.00 0.00 44.72 42.99 1xe8 s GLY 160 CO 0.51 -1.99 0.11 -0.12 0.00 0.00 0.00 173.10 171.61 1xe8 s PHE 161 N -2.60 0.26 -0.17 1.90 5.36 -0.90 -3.40 117.98 118.44 1xe8 s PHE 161 Ca 0.35 -0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 55.68 1xe8 s PHE 161 Cb 0.03 -0.80 -0.01 0.00 -0.34 0.00 0.00 43.02 41.90 1xe8 s PHE 161 CO 0.19 -0.68 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.00 1xe8 s LEU 162 N 2.12 2.80 0.17 6.12 0.20 0.13 -1.82 118.68 128.40 1xe8 s LEU 162 Ca 0.06 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.53 1xe8 s LEU 162 Cb -0.16 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 1xe8 s LEU 162 CO -0.24 0.08 0.03 0.27 -0.29 0.00 0.00 176.35 176.20 1xe8 s ILE 163 N 0.87 0.47 0.05 6.68 -4.36 -0.84 -0.45 121.20 123.62 1xe8 s ILE 163 Ca -0.02 -1.96 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 1xe8 s ILE 163 Cb -0.15 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.36 1xe8 s ILE 163 CO 0.00 -0.41 -0.14 -0.44 0.24 0.00 0.00 174.94 174.19 1xe8 s SER 164 N -3.15 4.08 -0.05 4.36 0.01 0.19 -1.28 113.70 117.86 1xe8 s SER 164 Ca 0.26 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1xe8 s SER 164 Cb 0.07 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.57 1xe8 s SER 164 CO 0.05 0.24 -0.11 -1.61 0.41 0.00 0.00 173.24 172.22 1xe8 s GLU 165 N -1.62 1.38 -0.13 12.44 2.02 -0.69 -1.04 118.70 131.08 1xe8 s GLU 165 Ca 0.17 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.82 1xe8 s GLU 165 Cb -0.11 -1.20 0.01 0.00 0.10 0.00 0.00 34.13 32.93 1xe8 s GLU 165 CO 0.08 0.05 -0.21 0.08 0.02 0.00 0.00 175.26 175.28 1xe8 s VAL 166 N 0.52 1.94 -0.12 2.63 1.01 -0.48 -1.92 120.40 123.98 1xe8 s VAL 166 Ca -0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1xe8 s VAL 166 Cb -0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1xe8 s VAL 166 CO 0.02 0.53 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 1xe8 s VAL 167 N 0.77 3.20 -0.09 2.92 1.01 -0.75 -1.64 120.40 125.82 1xe8 s VAL 167 Ca -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1xe8 s VAL 167 Cb -0.16 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1xe8 s VAL 167 CO -0.00 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 174.97 1xe8 s VAL 168 N 0.22 0.22 1.06 2.92 1.01 -1.26 -2.54 120.40 122.04 1xe8 s VAL 168 Ca -0.07 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1xe8 s VAL 168 Cb -0.15 -0.51 0.22 0.00 0.00 0.00 0.00 36.38 35.94 1xe8 s VAL 168 CO 0.05 0.11 1.07 -2.84 0.00 0.00 0.00 175.10 173.48 1xe8 s PRO 169 N 2.02 -0.09 0.43 2.72 0.02 -1.26 -4.43 135.00 134.41 1xe8 s PRO 169 Ca 0.04 0.89 -0.25 0.00 0.02 0.00 0.00 61.00 61.70 1xe8 s PRO 169 Cb -0.13 -1.65 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 1xe8 s PRO 169 CO -0.06 -3.18 1.26 0.41 -0.33 0.00 0.00 177.00 175.10 1xe8 n GLY 170 N 0.10 0.50 3.55 0.52 0.00 -0.62 -4.83 105.19 104.40 1xe8 n GLY 170 Ca 0.05 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 0.54 -3.66 1.61 7.35 -1.26 -4.64 117.46 117.12 1xe8 n PHE 171 Ca 0.07 0.58 -0.06 0.00 -0.76 0.00 0.00 57.45 57.29 1xe8 n PHE 171 Cb 0.40 -2.14 -0.07 0.00 0.35 0.00 0.00 39.48 38.02 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 -0.84 -0.75 0.63 -2.13 -1.08 -1.26 -4.94 116.67 106.30 1xe8 s ASP 172 Ca 0.64 1.30 0.29 0.00 -0.52 0.00 0.00 52.55 54.25 1xe8 s ASP 172 Cb -0.58 1.66 1.52 0.00 -1.46 0.00 0.00 42.92 44.07 1xe8 s ASP 172 CO 0.57 -0.22 1.89 -0.26 0.52 0.00 0.00 175.17 177.66 1xe8 h PHE 173 N 7.79 0.00 0.00 -5.34 -1.00 -1.95 0.67 116.94 117.11 1xe8 h PHE 173 Ca -0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.57 1xe8 h PHE 173 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1xe8 h PHE 173 CO 0.19 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.28 1xe8 n GLU 174 N -3.27 0.06 0.00 1.51 -0.58 -1.26 -1.18 120.64 115.92 1xe8 n GLU 174 Ca 0.03 0.42 0.07 0.00 -0.42 0.00 0.00 57.16 57.26 1xe8 n GLU 174 Cb 0.52 -1.64 0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1xe8 n GLU 174 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xe8 n ASP 175 N -1.76 2.14 -4.75 1.62 8.00 0.23 -4.99 116.55 117.05 1xe8 n ASP 175 Ca 0.01 -1.57 -0.36 0.00 0.71 0.00 0.00 54.79 53.59 1xe8 n ASP 175 Cb 0.11 0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.22 3.37 -0.11 1.24 2.46 -0.32 -1.97 115.29 118.74 1xe8 s HIS 176 Ca 0.16 0.30 -0.05 0.00 0.47 0.00 0.00 55.06 55.95 1xe8 s HIS 176 Cb 0.12 -1.94 0.05 0.00 -0.13 0.00 0.00 32.58 30.67 1xe8 s HIS 176 CO 0.19 0.48 0.24 0.95 -2.47 0.00 0.00 174.74 174.13 1xe8 s THR 177 N -0.55 -0.14 0.34 0.89 -4.23 -0.36 -4.99 115.64 106.59 1xe8 s THR 177 Ca 0.11 0.19 -0.26 0.00 -1.18 0.00 0.00 61.69 60.55 1xe8 s THR 177 Cb -0.12 -0.38 -0.10 0.00 1.34 0.00 0.00 72.50 73.24 1xe8 s THR 177 CO 0.02 0.08 0.99 -0.36 -0.54 0.00 0.00 174.62 174.81 1xe8 s PHE 178 N 1.58 3.58 0.13 3.99 0.40 -1.26 0.05 117.98 126.44 1xe8 s PHE 178 Ca -0.06 1.74 -0.31 0.00 -0.60 0.00 0.00 56.93 57.70 1xe8 s PHE 178 Cb -0.11 -3.01 -0.09 0.00 0.51 0.00 0.00 43.02 40.32 1xe8 s PHE 178 CO -0.08 -0.07 1.50 -1.17 0.70 0.00 0.00 175.22 176.09 1xe8 s LEU 179 N -2.13 4.37 -1.27 -0.37 0.20 -0.75 -4.86 118.68 113.86 1xe8 s LEU 179 Ca 0.51 2.46 -0.19 0.00 0.69 0.00 0.00 54.13 57.61 1xe8 s LEU 179 Cb -0.21 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 41.99 1xe8 s LEU 179 CO 0.27 -0.76 1.82 0.29 -0.29 0.00 0.00 176.35 177.68 1xe8 n LYS 180 N 4.20 2.76 -0.01 1.98 5.02 -1.26 -4.61 118.16 126.24 1xe8 n LYS 180 Ca 0.13 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 1xe8 n LYS 180 Cb 0.40 -3.53 -0.00 0.00 -0.02 0.00 0.00 35.03 31.88 1xe8 n LYS 180 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xe8 n GLY 181 N 5.40 -0.93 0.12 0.72 0.00 -1.26 -3.11 105.19 106.13 1xe8 n GLY 181 Ca 0.48 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.01 0.23 0.23 1.61 2.13 -1.26 -3.50 120.64 118.06 1xe8 n GLU 182 Ca 0.00 0.34 -0.09 0.00 0.66 0.00 0.00 57.16 58.08 1xe8 n GLU 182 Cb 0.01 -1.85 -0.04 0.00 0.27 0.00 0.00 31.44 29.82 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 -0.49 -0.06 4.31 3.32 -1.96 -0.43 116.42 121.10 1xe8 h ASP 183 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1xe8 h ASP 183 Cb 0.52 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1xe8 h ASP 183 CO 0.00 -0.35 0.14 -0.08 -1.72 0.00 0.00 179.24 177.23 1xe8 h GLU 184 N -0.60 0.00 -0.23 3.56 4.81 -1.62 0.27 114.58 120.77 1xe8 h GLU 184 Ca -0.06 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1xe8 h GLU 184 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xe8 h GLU 184 CO 0.10 0.00 -0.27 1.25 -0.73 0.00 0.00 179.01 179.36 1xe8 h LEU 185 N 0.00 0.64 -1.02 1.64 6.46 -1.51 -1.50 115.31 120.01 1xe8 h LEU 185 Ca 0.03 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 1xe8 h LEU 185 Cb 0.30 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1xe8 h LEU 185 CO -0.00 1.00 0.65 0.11 -0.62 0.00 0.00 178.44 179.59 1xe8 h LYS 186 N 0.29 1.25 -0.36 1.25 1.57 0.12 0.25 116.57 120.95 1xe8 h LYS 186 Ca 0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1xe8 h LYS 186 Cb 0.84 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1xe8 h LYS 186 CO 0.06 0.82 -0.07 0.45 -0.57 0.00 0.00 179.45 180.15 1xe8 h HIS 187 N 1.28 0.63 0.21 -1.35 3.86 -1.10 0.29 115.15 118.96 1xe8 h HIS 187 Ca 0.39 -0.09 -0.35 0.00 -1.16 0.00 0.00 60.37 59.16 1xe8 h HIS 187 Cb -0.04 -0.17 0.02 0.00 1.06 0.00 0.00 27.41 28.28 1xe8 h HIS 187 CO -0.00 0.64 -1.68 -0.07 0.86 0.00 0.00 177.93 177.69 1xe8 h LEU 188 N 0.55 0.68 -2.48 2.43 3.38 -0.20 -3.41 115.31 116.26 1xe8 h LEU 188 Ca 0.11 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1xe8 h LEU 188 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xe8 h LEU 188 CO 0.02 1.76 -0.06 1.33 0.09 0.00 0.00 178.44 181.58 1xe8 n VAL 189 N -3.62 0.91 0.00 1.22 0.24 0.78 -4.37 118.33 113.48 1xe8 n VAL 189 Ca -0.22 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1xe8 n VAL 189 Cb 1.08 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1xe8 n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xe8 n GLY 190 N -0.58 -2.57 0.22 7.63 0.00 0.09 -4.01 105.19 105.96 1xe8 n GLY 190 Ca 0.04 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.69 -0.77 1.61 0.13 -1.89 -0.83 132.00 130.95 1xe8 h PRO 191 Ca 0.00 -0.20 0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1xe8 h PRO 191 Cb 0.00 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 30.99 1xe8 h PRO 191 CO 0.00 0.75 0.45 1.49 -0.23 0.00 0.00 178.00 180.46 1xe8 h GLU 192 N 0.54 0.78 0.01 0.86 4.22 -1.96 0.18 114.58 119.21 1xe8 h GLU 192 Ca 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1xe8 h GLU 192 Cb 0.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xe8 h GLU 192 CO 0.01 0.52 -0.08 -0.22 -2.18 0.00 0.00 179.01 177.06 1xe8 h LYS 193 N 0.80 0.04 -0.86 1.92 1.63 -1.69 -3.22 116.57 115.19 1xe8 h LYS 193 Ca 0.35 -0.05 0.22 0.00 -0.85 0.00 0.00 60.65 60.32 1xe8 h LYS 193 Cb 0.23 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 31.73 1xe8 h LYS 193 CO -0.20 0.92 0.10 0.00 -3.45 0.00 0.00 179.45 176.82 1xe8 h ALA 194 N 0.13 1.07 -0.36 5.00 0.00 -0.85 0.50 119.26 124.74 1xe8 h ALA 194 Ca -0.01 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1xe8 h ALA 194 Cb 0.95 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1xe8 h ALA 194 CO 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 178.88 1xe8 h ALA 195 N 1.81 0.40 -0.67 0.00 0.00 -0.71 0.92 119.26 121.01 1xe8 h ALA 195 Ca 0.51 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.53 1xe8 h ALA 195 Cb 1.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1xe8 h ALA 195 CO -0.73 -0.31 0.40 1.49 0.00 0.00 0.00 179.25 180.10 1xe8 h GLU 196 N 0.23 0.73 -0.41 0.00 4.81 -0.05 -2.19 114.58 117.70 1xe8 h GLU 196 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1xe8 h GLU 196 Cb 0.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xe8 h GLU 196 CO -0.21 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 179.84 1xe8 n LEU 197 N -4.73 2.24 0.15 1.64 4.77 -0.65 -4.39 117.00 116.02 1xe8 n LEU 197 Ca 0.07 -1.11 0.07 0.00 -0.03 0.00 0.00 56.01 55.02 1xe8 n LEU 197 Cb 0.12 -0.27 0.57 0.00 -2.33 0.00 0.00 43.42 41.50 1xe8 n LEU 197 CO 0.31 0.56 1.11 0.00 -1.33 0.00 0.00 177.39 178.04 1xe8 h ALA 198 N 3.79 1.92 0.00 -1.18 0.00 -0.15 -1.77 119.26 121.87 1xe8 h ALA 198 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xe8 h ALA 198 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xe8 h ALA 198 CO 0.00 0.06 0.00 1.97 0.00 0.00 0.00 179.25 181.28 1xe8 n PHE 199 N -4.51 0.84 0.21 0.00 1.16 -1.26 -1.84 117.46 112.05 1xe8 n PHE 199 Ca 0.00 0.35 0.11 0.00 -1.87 0.00 0.00 57.45 56.03 1xe8 n PHE 199 Cb 0.11 -1.06 0.27 0.00 -1.61 0.00 0.00 39.48 37.19 1xe8 n PHE 199 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1xe8 n LEU 200 N -2.28 3.24 -4.37 5.98 4.77 -0.66 -4.95 117.00 118.73 1xe8 n LEU 200 Ca 0.01 -1.54 -0.19 0.00 -0.03 0.00 0.00 56.01 54.27 1xe8 n LEU 200 Cb 0.20 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1xe8 n LEU 200 CO 0.18 0.77 -0.39 0.00 -1.33 0.00 0.00 177.39 176.62 1xe8 s ALA 201 N -1.32 2.08 -2.00 -1.18 0.00 -0.76 -0.50 121.76 118.08 1xe8 s ALA 201 Ca 0.40 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.65 1xe8 s ALA 201 Cb 0.22 0.14 0.31 0.00 0.00 0.00 0.00 23.12 23.78 1xe8 s ALA 201 CO 0.29 -0.06 0.78 0.72 0.00 0.00 0.00 175.76 177.50