#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe7 s ALA 11 N 0.00 2.24 0.09 5.20 0.00 -0.82 -4.96 121.76 123.51 1xe7 s ALA 11 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 1xe7 s ALA 11 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1xe7 s ALA 11 CO 0.00 -1.67 0.56 0.00 0.00 0.00 0.00 175.76 174.65 1xe7 s ALA 12 N -1.93 3.59 -0.80 0.00 0.00 -1.26 -4.69 121.76 116.67 1xe7 s ALA 12 Ca 0.74 0.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1xe7 s ALA 12 Cb -0.29 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1xe7 s ALA 12 CO 0.42 0.41 1.50 0.42 0.00 0.00 0.00 175.76 178.52 1xe7 s ILE 13 N -1.18 3.67 -0.57 0.00 -1.09 -1.26 -4.88 121.20 115.88 1xe7 s ILE 13 Ca 0.31 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1xe7 s ILE 13 Cb -0.19 -4.67 0.21 0.00 -1.58 0.00 0.00 42.46 36.24 1xe7 s ILE 13 CO 0.19 -1.60 0.56 -0.62 -1.23 0.00 0.00 174.94 172.24 1xe7 n GLU 14 N 9.17 1.56 -1.64 2.79 1.02 -1.26 -5.11 120.64 127.17 1xe7 n GLU 14 Ca 0.17 -4.07 -0.45 0.00 -0.02 0.00 0.00 57.16 52.79 1xe7 n GLU 14 Cb 0.50 -1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1xe7 n GLU 14 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1xe7 n PRO 15 N 1.62 1.77 -1.62 3.49 -0.02 -1.26 -5.01 135.00 133.96 1xe7 n PRO 15 Ca 0.25 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1xe7 n PRO 15 Cb 0.43 -2.19 0.11 0.00 -0.02 0.00 0.00 33.50 31.83 1xe7 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xe7 s ALA 16 N -0.46 2.13 0.20 3.55 0.00 -1.26 -4.89 121.76 121.03 1xe7 s ALA 16 Ca 0.65 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1xe7 s ALA 16 Cb -0.68 -3.04 0.23 0.00 0.00 0.00 0.00 23.12 19.62 1xe7 s ALA 16 CO 0.54 -1.95 1.78 0.66 0.00 0.00 0.00 175.76 176.80 1xe7 h SER 17 N -1.25 0.42 0.61 0.00 4.64 -1.94 -1.63 113.55 114.40 1xe7 h SER 17 Ca -0.48 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xe7 h SER 17 Cb 1.31 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xe7 h SER 17 CO 0.62 0.27 0.00 2.22 -0.87 0.00 0.00 176.83 179.07 1xe7 n PHE 18 N -4.87 0.34 -0.02 4.77 -0.00 -1.25 -1.49 117.46 114.94 1xe7 n PHE 18 Ca 0.07 0.13 -0.08 0.00 -0.00 0.00 0.00 57.45 57.58 1xe7 n PHE 18 Cb 0.19 -0.71 -0.06 0.00 -0.00 0.00 0.00 39.48 38.90 1xe7 n PHE 18 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1xe7 h VAL 19 N 0.00 0.80 -0.02 1.97 2.07 -1.61 -1.59 116.25 117.86 1xe7 h VAL 19 Ca 0.00 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 1xe7 h VAL 19 Cb 0.31 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1xe7 h VAL 19 CO 0.00 0.25 -0.40 0.11 0.02 0.00 0.00 177.57 177.55 1xe7 h LYS 20 N -0.97 0.05 -2.76 1.57 1.57 -1.50 -3.36 116.57 111.17 1xe7 h LYS 20 Ca -0.01 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 1xe7 h LYS 20 Cb 0.48 -0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.39 1xe7 h LYS 20 CO 0.01 0.45 -0.80 0.08 -0.57 0.00 0.00 179.45 178.62 1xe7 s VAL 21 N -4.13 0.76 0.74 0.50 1.01 -0.55 -5.13 120.40 113.60 1xe7 s VAL 21 Ca -0.03 -2.18 -0.15 0.00 0.00 0.00 0.00 61.98 59.62 1xe7 s VAL 21 Cb 0.14 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 35.02 1xe7 s VAL 21 CO 0.74 -0.96 1.23 -2.16 0.00 0.00 0.00 175.10 173.95 1xe7 s PRO 22 N 0.65 2.03 0.68 2.72 0.04 -0.60 -3.97 135.00 136.55 1xe7 s PRO 22 Ca 0.19 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1xe7 s PRO 22 Cb -0.22 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1xe7 s PRO 22 CO -0.01 -1.94 1.07 -1.64 0.04 0.00 0.00 177.00 174.52 1xe7 s MET 23 N -3.86 2.92 0.18 4.56 -1.94 0.35 -4.91 119.30 116.59 1xe7 s MET 23 Ca 0.76 1.06 -0.10 0.00 -1.71 0.00 0.00 55.69 55.70 1xe7 s MET 23 Cb -0.31 -1.99 0.07 0.00 2.01 0.00 0.00 34.83 34.61 1xe7 s MET 23 CO 0.46 -1.12 1.67 -1.00 -0.01 0.00 0.00 175.02 175.02 1xe7 h PRO 24 N -0.48 1.01 -4.43 2.03 0.13 -1.91 -3.36 132.00 125.00 1xe7 h PRO 24 Ca -0.45 -0.27 -0.17 0.00 -0.87 0.00 0.00 66.00 64.24 1xe7 h PRO 24 Cb 1.22 -0.12 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 1xe7 h PRO 24 CO 0.56 0.95 -0.69 -1.21 -0.23 0.00 0.00 178.00 177.38 1xe7 s GLU 25 N -5.20 0.72 0.60 0.86 0.41 -1.26 -4.94 118.70 109.88 1xe7 s GLU 25 Ca -0.12 -1.28 -0.14 0.00 -0.41 0.00 0.00 54.97 53.02 1xe7 s GLU 25 Cb 0.13 0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.47 1xe7 s GLU 25 CO 0.83 -0.07 1.03 -1.25 -0.49 0.00 0.00 175.26 175.31 1xe7 s PRO 26 N -3.88 3.48 0.66 0.39 0.04 -1.26 -4.50 135.00 129.93 1xe7 s PRO 26 Ca 0.10 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1xe7 s PRO 26 Cb 0.07 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1xe7 s PRO 26 CO -0.07 -0.66 1.17 -1.25 0.04 0.00 0.00 177.00 176.22 1xe7 s PRO 27 N -4.49 2.63 0.29 0.56 0.04 -1.26 -4.65 135.00 128.13 1xe7 s PRO 27 Ca 0.59 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1xe7 s PRO 27 Cb -0.13 -1.91 0.75 0.00 0.04 0.00 0.00 34.50 33.26 1xe7 s PRO 27 CO 0.42 -1.43 1.67 0.66 0.04 0.00 0.00 177.00 178.37 1xe7 h SER 28 N 0.21 0.21 -0.59 6.66 4.64 -1.98 -0.24 113.55 122.45 1xe7 h SER 28 Ca -0.48 0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1xe7 h SER 28 Cb 1.28 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.53 1xe7 h SER 28 CO 0.53 -0.08 0.29 0.77 -0.87 0.00 0.00 176.83 177.47 1xe7 h SER 29 N 0.31 0.80 0.74 4.97 4.64 -1.97 -1.00 113.55 122.04 1xe7 h SER 29 Ca 0.57 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 61.55 1xe7 h SER 29 Cb 1.13 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1xe7 h SER 29 CO -0.58 0.69 -1.22 -0.07 -0.87 0.00 0.00 176.83 174.78 1xe7 h LEU 30 N 0.89 0.23 -0.98 5.97 3.38 -1.54 -2.85 115.31 120.40 1xe7 h LEU 30 Ca 0.22 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xe7 h LEU 30 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xe7 h LEU 30 CO -0.03 1.21 -0.01 -0.61 0.09 0.00 0.00 178.44 179.09 1xe7 h GLN 31 N 0.04 0.72 -0.54 1.13 5.75 -0.82 0.02 115.11 121.41 1xe7 h GLN 31 Ca -0.11 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.09 1xe7 h GLN 31 Cb 1.90 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.35 1xe7 h GLN 31 CO 0.16 0.74 -0.09 0.37 -2.65 0.00 0.00 178.83 177.36 1xe7 h GLN 32 N 0.68 1.01 -0.22 1.69 4.15 -1.22 -0.36 115.11 120.83 1xe7 h GLN 32 Ca 0.13 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1xe7 h GLN 32 Cb 0.43 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1xe7 h GLN 32 CO 0.02 1.05 0.07 1.25 -1.93 0.00 0.00 178.83 179.29 1xe7 h LEU 33 N 0.88 0.32 -0.53 -2.39 5.85 -1.20 -0.34 115.31 117.90 1xe7 h LEU 33 Ca 0.14 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1xe7 h LEU 33 Cb 0.65 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1xe7 h LEU 33 CO 0.05 0.43 0.29 0.40 -0.34 0.00 0.00 178.44 179.26 1xe7 h ILE 34 N 0.19 0.99 -0.22 4.05 2.04 -0.84 -1.07 117.51 122.65 1xe7 h ILE 34 Ca 0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1xe7 h ILE 34 Cb 0.22 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xe7 h ILE 34 CO -0.00 0.10 -0.15 0.78 0.00 0.00 0.00 178.15 178.88 1xe7 h ASN 35 N 0.57 0.52 -0.50 1.72 2.35 -0.92 -0.58 115.58 118.73 1xe7 h ASN 35 Ca 0.23 -0.44 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 1xe7 h ASN 35 Cb 0.10 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1xe7 h ASN 35 CO -0.14 0.85 0.11 0.44 -1.65 0.00 0.00 177.43 177.04 1xe7 h ASP 36 N 0.20 0.82 0.17 5.81 3.32 -0.89 -3.01 116.42 122.84 1xe7 h ASP 36 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1xe7 h ASP 36 Cb 0.68 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xe7 h ASP 36 CO 0.04 0.82 -0.36 0.79 -1.72 0.00 0.00 179.24 178.81 1xe7 n TRP 37 N -4.25 0.00 -3.45 4.55 7.02 -0.42 -4.97 117.44 115.92 1xe7 n TRP 37 Ca 0.04 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.33 1xe7 n TRP 37 Cb 0.25 -0.09 0.08 0.00 -2.42 0.00 0.00 31.31 29.13 1xe7 n TRP 37 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xe7 n GLN 38 N -0.54 -6.93 -2.78 -0.99 6.02 -0.41 -4.97 117.38 106.77 1xe7 n GLN 38 Ca 0.11 0.81 -0.40 0.00 -0.01 0.00 0.00 57.00 57.50 1xe7 n GLN 38 Cb 0.38 -5.74 -0.05 0.00 1.02 0.00 0.00 30.24 25.85 1xe7 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xe7 s LEU 39 N -6.56 4.59 -0.03 1.08 1.43 -0.36 -4.85 118.68 113.98 1xe7 s LEU 39 Ca 0.25 1.84 0.06 0.00 -1.03 0.00 0.00 54.13 55.25 1xe7 s LEU 39 Cb -0.11 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1xe7 s LEU 39 CO 0.70 0.09 -0.22 -0.63 0.23 0.00 0.00 176.35 176.52 1xe7 s ILE 40 N -0.77 2.42 0.20 -0.59 -1.09 -0.68 -4.81 121.20 115.87 1xe7 s ILE 40 Ca 0.42 -0.98 -0.32 0.00 -2.23 0.00 0.00 60.65 57.53 1xe7 s ILE 40 Cb -0.25 -1.88 -0.12 0.00 -1.58 0.00 0.00 42.46 38.63 1xe7 s ILE 40 CO 0.30 0.57 1.73 1.17 -1.23 0.00 0.00 174.94 177.49 1xe7 n LYS 41 N 2.36 2.78 -2.66 2.79 4.81 -1.26 -1.16 118.16 125.81 1xe7 n LYS 41 Ca -0.16 1.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.97 1xe7 n LYS 41 Cb 0.51 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 32.69 1xe7 n LYS 41 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1xe7 s HIS 42 N 1.27 3.49 0.23 5.64 5.65 0.43 -4.89 115.29 127.12 1xe7 s HIS 42 Ca 0.76 1.13 -0.07 0.00 0.25 0.00 0.00 55.06 57.13 1xe7 s HIS 42 Cb -0.51 -2.52 0.21 0.00 -1.18 0.00 0.00 32.58 28.59 1xe7 s HIS 42 CO 0.33 -0.23 1.83 -0.09 -0.65 0.00 0.00 174.74 175.93 1xe7 h ARG 43 N 0.95 1.21 0.00 2.88 2.43 -1.93 -1.11 114.38 118.82 1xe7 h ARG 43 Ca -0.47 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1xe7 h ARG 43 Cb 1.19 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1xe7 h ARG 43 CO 0.63 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 180.40 1xe7 n GLU 44 N -4.31 1.00 0.00 0.20 -0.58 -1.26 -4.99 120.64 110.69 1xe7 n GLU 44 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1xe7 n GLU 44 Cb 0.13 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1xe7 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xe7 n GLY 45 N 0.99 2.32 0.00 0.62 0.00 -0.42 -0.31 105.19 108.38 1xe7 n GLY 45 Ca 0.24 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1xe7 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe7 n GLY 46 N 1.37 -1.53 3.52 -0.02 0.00 -1.24 -4.27 105.19 103.03 1xe7 n GLY 46 Ca 0.00 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1xe7 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xe7 s TYR 47 N -1.99 2.73 0.31 1.61 1.51 0.87 0.16 117.35 122.56 1xe7 s TYR 47 Ca 0.00 -0.14 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1xe7 s TYR 47 Cb 0.00 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1xe7 s TYR 47 CO 0.00 0.30 0.51 -0.59 -1.11 0.00 0.00 175.55 174.66 1xe7 s PHE 48 N -0.93 0.67 -0.29 2.71 -0.12 -0.31 -0.01 117.98 119.71 1xe7 s PHE 48 Ca 0.15 -1.01 -0.16 0.00 -0.05 0.00 0.00 56.93 55.86 1xe7 s PHE 48 Cb -0.11 0.13 0.14 0.00 -0.63 0.00 0.00 43.02 42.55 1xe7 s PHE 48 CO 0.06 -1.13 0.93 0.21 -0.05 0.00 0.00 175.22 175.24 1xe7 s LYS 49 N -3.36 0.41 -0.26 1.99 2.20 -1.04 -1.69 119.74 118.00 1xe7 s LYS 49 Ca 0.26 0.76 -0.28 0.00 -0.36 0.00 0.00 55.97 56.35 1xe7 s LYS 49 Cb -0.01 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1xe7 s LYS 49 CO 0.15 -0.10 0.99 -2.00 -0.36 0.00 0.00 175.35 174.03 1xe7 s GLU 50 N 1.60 4.18 -0.01 4.03 2.12 -1.26 -1.60 118.70 127.75 1xe7 s GLU 50 Ca -0.08 1.16 0.17 0.00 0.36 0.00 0.00 54.97 56.58 1xe7 s GLU 50 Cb -0.04 -3.67 -0.22 0.00 0.26 0.00 0.00 34.13 30.45 1xe7 s GLU 50 CO -0.16 -0.67 0.59 0.25 -0.54 0.00 0.00 175.26 174.73 1xe7 n THR 51 N 5.45 0.00 -3.68 -1.70 -2.24 -0.02 -4.98 114.28 107.11 1xe7 n THR 51 Ca 0.10 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1xe7 n THR 51 Cb 0.47 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 1xe7 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xe7 s ASP 52 N -3.19 -0.62 -0.19 3.42 -1.08 -1.13 -4.98 116.67 108.89 1xe7 s ASP 52 Ca 0.01 1.12 -0.04 0.00 -0.52 0.00 0.00 52.55 53.13 1xe7 s ASP 52 Cb 0.12 1.08 0.06 0.00 -1.46 0.00 0.00 42.92 42.72 1xe7 s ASP 52 CO 0.72 -0.20 0.06 -0.60 0.52 0.00 0.00 175.17 175.67 1xe7 s ARG 53 N 0.79 0.41 0.20 4.34 3.52 -1.26 -0.34 118.95 126.61 1xe7 s ARG 53 Ca -0.04 -0.31 -0.33 0.00 -0.13 0.00 0.00 55.73 54.93 1xe7 s ARG 53 Cb -0.05 -1.98 -0.14 0.00 -1.56 0.00 0.00 34.95 31.22 1xe7 s ARG 53 CO -0.06 -0.67 1.38 0.45 -0.81 0.00 0.00 175.30 175.59 1xe7 n SER 54 N 5.14 2.41 0.07 -2.12 2.88 -0.48 -4.85 113.62 116.67 1xe7 n SER 54 Ca -0.08 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.71 1xe7 n SER 54 Cb 0.48 -1.36 0.46 0.00 -0.75 0.00 0.00 64.21 63.03 1xe7 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xe7 n PRO 55 N 2.27 0.14 -3.13 -1.46 -0.04 -1.26 -4.35 135.00 127.17 1xe7 n PRO 55 Ca 0.14 0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 63.51 1xe7 n PRO 55 Cb 0.28 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 1xe7 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xe7 s TYR 56 N -3.13 3.40 0.40 0.54 2.02 -1.26 -4.98 117.35 114.34 1xe7 s TYR 56 Ca 0.09 1.23 0.04 0.00 -0.37 0.00 0.00 57.07 58.06 1xe7 s TYR 56 Cb 0.12 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.09 1xe7 s TYR 56 CO 0.46 0.11 0.04 0.95 -1.57 0.00 0.00 175.55 175.55 1xe7 s THR 57 N -1.95 1.41 -0.05 -0.71 -4.23 -1.26 -0.92 115.64 107.94 1xe7 s THR 57 Ca 0.53 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.85 1xe7 s THR 57 Cb -0.11 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1xe7 s THR 57 CO 0.18 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.69 1xe7 s MET 58 N -3.80 0.76 -0.21 3.99 0.23 -0.31 -4.74 119.30 115.22 1xe7 s MET 58 Ca 0.28 0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.88 1xe7 s MET 58 Cb 0.07 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 1xe7 s MET 58 CO 0.14 -0.21 0.18 -1.21 -2.03 0.00 0.00 175.02 171.89 1xe7 s GLU 59 N -1.08 4.16 0.07 3.16 0.41 -1.26 -1.53 118.70 122.62 1xe7 s GLU 59 Ca -0.11 -0.17 0.04 0.00 -0.41 0.00 0.00 54.97 54.31 1xe7 s GLU 59 Cb -0.04 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.82 1xe7 s GLU 59 CO 0.05 0.19 -0.11 0.14 -0.49 0.00 0.00 175.26 175.04 1xe7 s VAL 60 N 0.68 0.86 -0.03 2.63 -7.23 -0.49 -4.95 120.40 111.87 1xe7 s VAL 60 Ca 0.10 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1xe7 s VAL 60 Cb -0.12 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1xe7 s VAL 60 CO 0.02 -0.36 0.72 -0.70 -0.31 0.00 0.00 175.10 174.46 1xe7 s GLU 61 N -1.93 4.45 -0.02 4.82 2.12 -1.26 -1.24 118.70 125.64 1xe7 s GLU 61 Ca -0.03 0.94 0.03 0.00 0.36 0.00 0.00 54.97 56.27 1xe7 s GLU 61 Cb -0.08 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 1xe7 s GLU 61 CO 0.01 0.14 -0.09 0.21 -0.54 0.00 0.00 175.26 174.99 1xe7 s LYS 62 N 0.50 0.83 0.41 4.30 2.20 -0.23 -4.94 119.74 122.80 1xe7 s LYS 62 Ca 0.38 -0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 55.43 1xe7 s LYS 62 Cb -0.19 -0.79 -0.08 0.00 -1.51 0.00 0.00 37.83 35.26 1xe7 s LYS 62 CO 0.20 0.16 1.14 -1.25 -0.36 0.00 0.00 175.35 175.24 1xe7 s PRO 63 N -0.03 4.05 0.00 4.03 0.04 -1.26 -0.44 135.00 141.39 1xe7 s PRO 63 Ca 0.01 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1xe7 s PRO 63 Cb -0.06 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1xe7 s PRO 63 CO -0.00 -0.30 0.00 0.28 0.04 0.00 0.00 177.00 177.02 1xe7 n VAL 64 N -0.01 0.00 -1.80 -0.36 0.31 -1.26 -4.87 118.33 110.34 1xe7 n VAL 64 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1xe7 n VAL 64 Cb 0.47 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1xe7 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xe7 n ASN 70 N 0.00 -9.10 -4.28 4.52 5.15 -1.26 -5.07 115.26 105.22 1xe7 n ASN 70 Ca 0.00 1.29 -0.16 0.00 -0.60 0.00 0.00 54.58 55.11 1xe7 n ASN 70 Cb 0.00 -4.79 -0.10 0.00 -0.53 0.00 0.00 39.78 34.36 1xe7 n ASN 70 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xe7 s THR 71 N -1.85 0.44 0.06 -0.44 -4.23 -1.26 -5.03 115.64 103.33 1xe7 s THR 71 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1xe7 s THR 71 Cb 0.00 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1xe7 s THR 71 CO 0.00 0.00 0.52 -1.83 -0.54 0.00 0.00 174.62 172.77 1xe7 s GLU 72 N -4.04 1.05 0.03 3.99 4.04 0.41 -4.95 118.70 119.24 1xe7 s GLU 72 Ca 0.38 -0.27 -0.27 0.00 0.04 0.00 0.00 54.97 54.85 1xe7 s GLU 72 Cb 0.08 0.48 -0.05 0.00 0.02 0.00 0.00 34.13 34.66 1xe7 s GLU 72 CO 0.14 -0.39 0.86 -1.64 -1.84 0.00 0.00 175.26 172.39 1xe7 s MET 73 N -2.60 4.55 0.12 -4.83 -1.94 -1.26 -1.07 119.30 112.27 1xe7 s MET 73 Ca -0.04 1.22 0.04 0.00 -1.71 0.00 0.00 55.69 55.20 1xe7 s MET 73 Cb -0.01 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 1xe7 s MET 73 CO -0.03 0.14 -0.11 0.14 -0.01 0.00 0.00 175.02 175.15 1xe7 s VAL 74 N 0.40 1.07 -0.08 -6.03 -7.23 -0.37 -4.96 120.40 103.19 1xe7 s VAL 74 Ca 0.44 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1xe7 s VAL 74 Cb -0.21 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1xe7 s VAL 74 CO 0.25 -0.61 0.23 -0.89 -0.31 0.00 0.00 175.10 173.77 1xe7 s THR 75 N -2.74 5.35 0.03 5.32 2.01 -1.26 -1.40 115.64 122.96 1xe7 s THR 75 Ca 0.10 0.42 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 1xe7 s THR 75 Cb -0.01 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1xe7 s THR 75 CO 0.00 0.60 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.38 1xe7 s ARG 76 N -1.03 0.41 0.54 4.92 1.81 -0.58 -4.99 118.95 120.02 1xe7 s ARG 76 Ca 0.18 -0.80 -0.19 0.00 -1.72 0.00 0.00 55.73 53.20 1xe7 s ARG 76 Cb -0.14 0.14 -0.06 0.00 -0.45 0.00 0.00 34.95 34.45 1xe7 s ARG 76 CO 0.07 -0.07 1.09 -0.80 -0.68 0.00 0.00 175.30 174.91 1xe7 s ASN 77 N -1.92 5.92 0.50 0.23 -0.87 -1.26 -1.16 114.94 116.37 1xe7 s ASN 77 Ca -0.09 2.03 0.21 0.00 -1.57 0.00 0.00 52.86 53.44 1xe7 s ASN 77 Cb -0.04 -2.57 1.29 0.00 -0.02 0.00 0.00 41.25 39.91 1xe7 s ASN 77 CO -0.04 -1.08 2.07 1.56 -2.57 0.00 0.00 177.10 177.04 1xe7 h GLN 78 N 1.17 0.00 -2.65 -0.60 4.20 -1.23 0.26 115.11 116.26 1xe7 h GLN 78 Ca -0.49 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.27 1xe7 h GLN 78 Cb 1.24 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.89 1xe7 h GLN 78 CO 0.58 0.13 0.35 -1.54 -0.67 0.00 0.00 178.83 177.67 1xe7 s SER 79 N -6.60 -0.45 0.03 1.46 1.04 -1.26 -3.33 113.70 104.59 1xe7 s SER 79 Ca -0.04 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1xe7 s SER 79 Cb 0.15 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1xe7 s SER 79 CO 0.64 -0.83 -0.05 0.42 0.98 0.00 0.00 173.24 174.40 1xe7 s THR 80 N -3.45 0.32 -0.02 2.02 -4.23 -0.77 -1.38 115.64 108.13 1xe7 s THR 80 Ca 0.04 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1xe7 s THR 80 Cb -0.01 -0.43 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 1xe7 s THR 80 CO -0.10 -0.43 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.24 1xe7 s LEU 81 N -1.49 1.87 0.06 4.79 2.96 0.54 -1.59 118.68 125.81 1xe7 s LEU 81 Ca -0.13 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1xe7 s LEU 81 Cb -0.10 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1xe7 s LEU 81 CO -0.00 0.08 -0.04 0.27 -1.32 0.00 0.00 176.35 175.34 1xe7 s ILE 82 N 0.04 0.32 -0.11 6.68 -4.36 -0.73 -0.84 121.20 122.21 1xe7 s ILE 82 Ca -0.01 -1.69 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 1xe7 s ILE 82 Cb -0.06 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 1xe7 s ILE 82 CO 0.00 -0.88 0.15 -0.31 0.24 0.00 0.00 174.94 174.14 1xe7 s TYR 83 N -3.42 3.60 -0.05 1.37 4.12 -0.63 -1.62 117.35 120.71 1xe7 s TYR 83 Ca 0.04 0.53 -0.00 0.00 0.02 0.00 0.00 57.07 57.66 1xe7 s TYR 83 Cb 0.04 -1.94 0.03 0.00 -1.52 0.00 0.00 41.96 38.57 1xe7 s TYR 83 CO -0.07 0.73 -0.02 -0.47 0.02 0.00 0.00 175.55 175.74 1xe7 s TYR 84 N -1.06 0.65 -0.06 2.71 5.04 0.15 -2.50 117.35 122.28 1xe7 s TYR 84 Ca 0.16 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 1xe7 s TYR 84 Cb -0.12 -0.69 0.01 0.00 0.35 0.00 0.00 41.96 41.51 1xe7 s TYR 84 CO 0.05 -0.24 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.72 1xe7 s LEU 85 N 1.40 1.71 -0.06 6.97 2.96 0.99 -1.22 118.68 131.44 1xe7 s LEU 85 Ca -0.04 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1xe7 s LEU 85 Cb -0.13 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1xe7 s LEU 85 CO -0.03 0.06 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.30 1xe7 s LEU 86 N 0.54 3.52 0.21 -0.68 1.43 -0.71 -0.09 118.68 122.90 1xe7 s LEU 86 Ca -0.13 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1xe7 s LEU 86 Cb -0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1xe7 s LEU 86 CO 0.04 0.34 0.10 0.42 0.23 0.00 0.00 176.35 177.48 1xe7 s THR 87 N -0.95 0.24 0.55 5.49 -4.23 -0.67 -2.02 115.64 114.06 1xe7 s THR 87 Ca 0.15 -1.99 0.23 0.00 -1.18 0.00 0.00 61.69 58.91 1xe7 s THR 87 Cb -0.11 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.61 1xe7 s THR 87 CO 0.05 -0.10 2.11 -0.65 -0.54 0.00 0.00 174.62 175.50 1xe7 h PRO 88 N 2.58 0.00 0.00 3.99 0.11 -1.92 0.65 132.00 137.41 1xe7 h PRO 88 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xe7 h PRO 88 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xe7 h PRO 88 CO 0.57 0.00 -0.49 -0.40 -0.21 0.00 0.00 178.00 177.47 1xe7 n ASP 89 N -4.21 0.49 -2.88 -2.05 5.68 -1.26 -0.50 116.55 111.82 1xe7 n ASP 89 Ca 0.01 -0.14 -0.13 0.00 -0.50 0.00 0.00 54.79 54.03 1xe7 n ASP 89 Cb 0.28 0.19 0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1xe7 n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xe7 n SER 90 N -1.59 -1.95 -0.19 -1.12 2.88 -0.20 -4.65 113.62 106.80 1xe7 n SER 90 Ca 0.05 -3.15 0.11 0.00 -1.33 0.00 0.00 58.87 54.56 1xe7 n SER 90 Cb 0.35 1.10 0.58 0.00 -0.75 0.00 0.00 64.21 65.49 1xe7 n SER 90 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xe7 n PRO 91 N 1.50 1.26 -4.79 -1.46 -0.04 0.21 -1.67 135.00 130.01 1xe7 n PRO 91 Ca 0.13 -0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 62.95 1xe7 n PRO 91 Cb 0.61 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.53 1xe7 n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xe7 s ILE 92 N -1.95 1.34 -0.51 0.52 1.09 -1.26 -0.32 121.20 120.11 1xe7 s ILE 92 Ca 0.34 -0.69 -0.06 0.00 -1.10 0.00 0.00 60.65 59.14 1xe7 s ILE 92 Cb 0.17 -1.14 0.13 0.00 -1.06 0.00 0.00 42.46 40.56 1xe7 s ILE 92 CO 0.27 0.38 0.34 -0.83 -0.10 0.00 0.00 174.94 175.01 1xe7 s GLY 93 N -0.14 2.18 0.73 6.18 0.00 0.14 -3.64 107.32 112.77 1xe7 s GLY 93 Ca 0.01 -2.77 -0.16 0.00 0.00 0.00 0.00 44.72 41.80 1xe7 s GLY 93 CO 0.01 1.09 1.07 0.28 0.00 0.00 0.00 173.10 175.54 1xe7 n LYS 94 N 4.37 0.53 -1.65 2.90 5.02 0.58 -1.26 118.16 128.65 1xe7 n LYS 94 Ca -0.01 0.24 -0.52 0.00 -2.02 0.00 0.00 58.31 56.00 1xe7 n LYS 94 Cb 0.41 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.04 1xe7 n LYS 94 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xe7 n PHE 95 N -2.59 1.88 -3.57 2.13 3.01 0.23 -4.65 117.46 113.90 1xe7 n PHE 95 Ca 0.14 0.48 -0.13 0.00 1.01 0.00 0.00 57.45 58.94 1xe7 n PHE 95 Cb 0.49 -2.44 -0.05 0.00 -0.01 0.00 0.00 39.48 37.47 1xe7 n PHE 95 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1xe7 s HIS 96 N 1.85 -0.41 0.10 1.38 -3.43 -0.94 -1.98 115.29 111.85 1xe7 s HIS 96 Ca 0.89 0.40 0.03 0.00 -0.80 0.00 0.00 55.06 55.58 1xe7 s HIS 96 Cb -0.91 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 30.54 1xe7 s HIS 96 CO 0.51 -0.66 -0.08 0.21 -2.00 0.00 0.00 174.74 172.72 1xe7 s LYS 97 N -2.65 0.83 0.02 -0.38 2.20 0.45 -1.32 119.74 118.89 1xe7 s LYS 97 Ca -0.04 -1.23 0.01 0.00 -0.36 0.00 0.00 55.97 54.35 1xe7 s LYS 97 Cb -0.00 -0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 35.94 1xe7 s LYS 97 CO -0.03 0.03 -0.05 1.21 -0.36 0.00 0.00 175.35 176.15 1xe7 s ASN 98 N -2.71 0.54 0.47 1.43 3.84 -1.26 -0.03 114.94 117.21 1xe7 s ASN 98 Ca 0.08 -0.35 0.17 0.00 0.21 0.00 0.00 52.86 52.96 1xe7 s ASN 98 Cb 0.01 0.02 1.12 0.00 -0.55 0.00 0.00 41.25 41.84 1xe7 s ASN 98 CO -0.02 -0.13 2.03 0.40 -2.79 0.00 0.00 177.10 176.58 1xe7 h ILE 99 N 4.75 1.02 -3.10 -5.21 2.04 -1.63 0.95 117.51 116.33 1xe7 h ILE 99 Ca -0.31 -0.53 -0.58 0.00 1.00 0.00 0.00 64.86 64.43 1xe7 h ILE 99 Cb 1.20 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1xe7 h ILE 99 CO 0.44 0.15 -0.33 0.20 0.00 0.00 0.00 178.15 178.61 1xe7 s ASN 100 N -6.87 6.46 0.57 1.72 0.01 -1.26 -4.21 114.94 111.36 1xe7 s ASN 100 Ca -0.04 0.53 -0.18 0.00 -0.71 0.00 0.00 52.86 52.47 1xe7 s ASN 100 Cb 0.15 -2.07 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1xe7 s ASN 100 CO 0.67 0.05 1.10 0.00 -1.51 0.00 0.00 177.10 177.41 1xe7 s ARG 101 N -2.72 3.28 -0.05 -0.60 1.70 -1.26 -4.07 118.95 115.22 1xe7 s ARG 101 Ca 0.40 1.44 0.03 0.00 -0.47 0.00 0.00 55.73 57.13 1xe7 s ARG 101 Cb -0.12 -2.01 0.01 0.00 -0.57 0.00 0.00 34.95 32.26 1xe7 s ARG 101 CO 0.26 -0.87 -0.13 0.42 -1.08 0.00 0.00 175.30 173.89 1xe7 s ILE 102 N -2.07 1.16 -0.16 4.99 1.01 -0.55 -4.02 121.20 121.55 1xe7 s ILE 102 Ca 0.69 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 1xe7 s ILE 102 Cb -0.20 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1xe7 s ILE 102 CO 0.31 0.35 0.44 -0.63 0.00 0.00 0.00 174.94 175.41 1xe7 s ILE 103 N 0.42 5.19 -0.09 2.92 1.01 -0.53 -1.59 121.20 128.54 1xe7 s ILE 103 Ca -0.10 0.83 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1xe7 s ILE 103 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1xe7 s ILE 103 CO 0.03 0.28 -0.19 -1.00 0.00 0.00 0.00 174.94 174.07 1xe7 s HIS 104 N 0.99 2.64 -0.15 3.97 3.76 -0.20 -0.57 115.29 125.73 1xe7 s HIS 104 Ca 0.22 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1xe7 s HIS 104 Cb -0.15 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.86 1xe7 s HIS 104 CO 0.09 -0.17 -0.14 0.42 -0.85 0.00 0.00 174.74 174.08 1xe7 s ILE 105 N -0.02 1.58 0.26 0.60 -1.09 0.29 -1.91 121.20 120.90 1xe7 s ILE 105 Ca -0.06 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 57.43 1xe7 s ILE 105 Cb -0.15 -1.48 -0.09 0.00 -1.58 0.00 0.00 42.46 39.16 1xe7 s ILE 105 CO 0.05 0.46 1.19 -0.22 -1.23 0.00 0.00 174.94 175.18 1xe7 s LEU 106 N 1.46 4.49 0.00 2.97 2.96 -0.25 -1.25 118.68 129.05 1xe7 s LEU 106 Ca 0.04 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1xe7 s LEU 106 Cb -0.13 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1xe7 s LEU 106 CO -0.10 -0.32 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1xe7 n GLN 107 N 1.60 0.00 -3.81 1.98 6.02 -0.45 -4.92 117.38 117.80 1xe7 n GLN 107 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 1xe7 n GLN 107 Cb 0.44 -0.57 -0.10 0.00 1.02 0.00 0.00 30.24 31.03 1xe7 n GLN 107 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xe7 s ARG 108 N -1.97 0.51 1.75 -1.09 1.81 -0.71 -5.00 118.95 114.24 1xe7 s ARG 108 Ca 0.00 -0.14 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1xe7 s ARG 108 Cb 0.00 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 1xe7 s ARG 108 CO 0.00 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.91 1xe7 n GLY 109 N 1.74 -1.64 3.03 -3.53 0.00 -1.26 -0.36 105.19 103.18 1xe7 n GLY 109 Ca -0.20 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1xe7 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe7 s LYS 110 N 0.00 0.40 0.28 1.61 1.02 -1.22 -4.65 119.74 117.17 1xe7 s LYS 110 Ca 0.00 -0.58 -0.20 0.00 0.02 0.00 0.00 55.97 55.22 1xe7 s LYS 110 Cb 0.00 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.52 1xe7 s LYS 110 CO 0.00 -0.08 0.86 0.20 -0.92 0.00 0.00 175.35 175.41 1xe7 s GLY 111 N -1.54 0.13 -0.00 -3.33 0.00 -1.00 -2.65 107.32 98.92 1xe7 s GLY 111 Ca -0.14 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1xe7 s GLY 111 CO -0.01 0.44 -0.05 1.62 0.00 0.00 0.00 173.10 175.11 1xe7 s GLN 112 N -2.73 0.38 0.10 2.90 0.74 -0.66 0.41 119.66 120.80 1xe7 s GLN 112 Ca 0.16 -0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.41 1xe7 s GLN 112 Cb -0.04 -0.35 -0.04 0.00 1.10 0.00 0.00 33.01 33.68 1xe7 s GLN 112 CO 0.08 0.09 -0.02 0.71 -0.55 0.00 0.00 175.29 175.60 1xe7 s TYR 113 N -0.21 2.92 -0.15 1.67 1.51 -0.33 -1.38 117.35 121.39 1xe7 s TYR 113 Ca 0.01 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1xe7 s TYR 113 Cb -0.02 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1xe7 s TYR 113 CO -0.00 0.47 -0.03 0.08 -1.11 0.00 0.00 175.55 174.95 1xe7 s VAL 114 N -1.31 0.89 -0.18 0.71 1.01 -0.05 -2.15 120.40 119.32 1xe7 s VAL 114 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1xe7 s VAL 114 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1xe7 s VAL 114 CO 0.17 0.13 -0.02 -0.76 0.00 0.00 0.00 175.10 174.63 1xe7 s LEU 115 N 1.73 3.26 -0.36 3.92 1.43 0.16 -1.72 118.68 127.11 1xe7 s LEU 115 Ca 0.02 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1xe7 s LEU 115 Cb -0.15 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1xe7 s LEU 115 CO -0.07 0.12 0.11 -0.69 0.23 0.00 0.00 176.35 176.05 1xe7 s VAL 116 N 0.68 3.13 0.67 -1.59 1.01 0.13 -0.84 120.40 123.60 1xe7 s VAL 116 Ca -0.01 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.05 1xe7 s VAL 116 Cb -0.14 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1xe7 s VAL 116 CO 0.02 -0.45 1.07 -0.31 0.00 0.00 0.00 175.10 175.44 1xe7 s TYR 117 N 1.18 2.87 0.63 5.22 1.51 -0.32 -1.79 117.35 126.65 1xe7 s TYR 117 Ca 0.03 1.50 0.34 0.00 -1.01 0.00 0.00 57.07 57.93 1xe7 s TYR 117 Cb -0.21 -3.01 1.87 0.00 -0.11 0.00 0.00 41.96 40.50 1xe7 s TYR 117 CO -0.03 -1.40 2.14 -1.00 -1.11 0.00 0.00 175.55 174.14 1xe7 h PRO 118 N -0.32 0.00 0.00 -1.71 0.13 -1.90 0.37 132.00 128.58 1xe7 h PRO 118 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xe7 h PRO 118 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xe7 h PRO 118 CO 0.55 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.54 1xe7 h ASP 119 N 0.00 0.00 0.00 1.44 -0.00 -1.93 -3.46 116.42 112.47 1xe7 h ASP 119 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1xe7 h ASP 119 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1xe7 h ASP 119 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 1xe7 n GLY 120 N 0.12 0.17 3.76 -0.78 0.00 0.13 -5.03 105.19 103.57 1xe7 n GLY 120 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1xe7 n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xe7 s GLN 121 N -0.91 3.72 -0.12 1.61 0.74 -1.25 -4.63 119.66 118.82 1xe7 s GLN 121 Ca 0.00 2.12 0.02 0.00 0.05 0.00 0.00 55.36 57.56 1xe7 s GLN 121 Cb 0.00 -2.57 0.01 0.00 1.10 0.00 0.00 33.01 31.55 1xe7 s GLN 121 CO 0.00 -0.69 -0.18 0.08 -0.55 0.00 0.00 175.29 173.95 1xe7 s VAL 122 N -1.32 1.76 -0.00 1.34 1.01 -1.26 -1.17 120.40 120.76 1xe7 s VAL 122 Ca 0.62 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1xe7 s VAL 122 Cb -0.37 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1xe7 s VAL 122 CO 0.47 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 175.31 1xe7 s LYS 123 N 0.91 1.65 -0.00 2.72 -0.14 -0.02 -4.97 119.74 119.89 1xe7 s LYS 123 Ca -0.07 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 1xe7 s LYS 123 Cb -0.15 -1.64 -0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1xe7 s LYS 123 CO -0.02 0.44 -0.01 0.45 -0.76 0.00 0.00 175.35 175.45 1xe7 s SER 124 N -0.65 0.15 0.06 2.83 0.15 -1.26 0.41 113.70 115.38 1xe7 s SER 124 Ca 0.08 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.53 1xe7 s SER 124 Cb -0.08 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1xe7 s SER 124 CO -0.00 0.01 0.41 0.72 1.20 0.00 0.00 173.24 175.58 1xe7 s PHE 125 N 0.00 -0.26 0.07 3.44 -0.12 -0.91 -1.94 117.98 118.25 1xe7 s PHE 125 Ca 0.00 0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 57.02 1xe7 s PHE 125 Cb -0.01 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1xe7 s PHE 125 CO -0.00 -0.59 0.30 0.15 -0.05 0.00 0.00 175.22 175.02 1xe7 s LYS 126 N -2.68 3.57 -0.11 1.99 1.02 -1.26 -1.19 119.74 121.07 1xe7 s LYS 126 Ca -0.04 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1xe7 s LYS 126 Cb -0.00 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1xe7 s LYS 126 CO -0.04 0.57 -0.12 0.08 -0.92 0.00 0.00 175.35 174.93 1xe7 s VAL 127 N -1.48 3.21 0.00 3.17 1.01 0.17 -2.47 120.40 124.01 1xe7 s VAL 127 Ca 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1xe7 s VAL 127 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1xe7 s VAL 127 CO 0.22 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1xe7 n GLY 128 N 3.21 -1.02 0.49 4.51 0.00 -0.95 -2.38 105.19 109.05 1xe7 n GLY 128 Ca -0.18 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 44.91 1xe7 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xe7 n PHE 129 N -0.16 0.00 -2.29 1.61 3.01 -1.26 -3.68 117.46 114.69 1xe7 n PHE 129 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1xe7 n PHE 129 Cb 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1xe7 n PHE 129 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1xe7 n ASP 130 N 0.06 4.73 0.13 4.37 -0.08 -1.26 -4.73 116.55 119.77 1xe7 n ASP 130 Ca 0.13 -2.98 0.10 0.00 -1.51 0.00 0.00 54.79 50.53 1xe7 n ASP 130 Cb 0.42 -1.59 0.49 0.00 2.34 0.00 0.00 41.12 42.79 1xe7 n ASP 130 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xe7 n TYR 131 N 5.46 0.66 0.25 -0.67 0.18 -1.25 -0.96 117.16 120.82 1xe7 n TYR 131 Ca 0.44 0.31 0.14 0.00 1.88 0.00 0.00 57.90 60.67 1xe7 n TYR 131 Cb 0.40 -0.99 0.46 0.00 -0.38 0.00 0.00 39.34 38.83 1xe7 n TYR 131 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1xe7 h LYS 132 N 0.00 0.00 -0.64 -3.48 1.63 -1.85 -3.03 116.57 109.19 1xe7 h LYS 132 Ca 0.00 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.41 1xe7 h LYS 132 Cb 0.14 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 31.54 1xe7 h LYS 132 CO 0.00 0.03 0.08 0.09 -3.45 0.00 0.00 179.45 176.20 1xe7 n ASN 133 N -3.12 3.98 0.00 4.20 3.02 -0.13 -4.93 115.26 118.28 1xe7 n ASN 133 Ca 0.02 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1xe7 n ASN 133 Cb 0.41 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1xe7 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xe7 n GLY 134 N -1.03 0.93 3.82 7.41 0.00 -1.15 -5.02 105.19 110.16 1xe7 n GLY 134 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1xe7 n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xe7 s GLU 135 N -0.19 3.72 0.10 1.61 2.02 -1.15 -4.70 118.70 120.12 1xe7 s GLU 135 Ca 0.00 1.13 0.07 0.00 0.02 0.00 0.00 54.97 56.18 1xe7 s GLU 135 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1xe7 s GLU 135 CO 0.00 -0.47 -0.17 0.14 0.02 0.00 0.00 175.26 174.78 1xe7 s VAL 136 N -2.42 1.45 -0.79 2.63 -7.23 -1.03 -3.96 120.40 109.06 1xe7 s VAL 136 Ca 0.62 -1.52 0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1xe7 s VAL 136 Cb -0.13 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.49 1xe7 s VAL 136 CO 0.30 -0.20 0.84 -1.54 -0.31 0.00 0.00 175.10 174.19 1xe7 n SER 137 N 1.00 1.84 -3.80 4.85 3.41 -1.25 -2.23 113.62 117.44 1xe7 n SER 137 Ca -0.19 -1.48 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1xe7 n SER 137 Cb 0.55 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1xe7 n SER 137 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xe7 s GLN 138 N -0.69 0.14 -0.25 4.33 -0.21 -1.26 -1.09 119.66 120.63 1xe7 s GLN 138 Ca 0.10 0.26 -0.19 0.00 0.02 0.00 0.00 55.36 55.55 1xe7 s GLN 138 Cb 0.06 -0.01 0.07 0.00 1.00 0.00 0.00 33.01 34.13 1xe7 s GLN 138 CO 0.09 -0.07 0.65 1.67 -2.12 0.00 0.00 175.29 175.51 1xe7 s TRP 139 N 0.45 -0.85 -0.18 0.91 -2.14 -0.80 -5.01 118.94 111.32 1xe7 s TRP 139 Ca -0.03 1.87 -0.03 0.00 2.66 0.00 0.00 56.10 60.56 1xe7 s TRP 139 Cb -0.05 0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 30.71 1xe7 s TRP 139 CO -0.02 -0.42 -0.05 0.08 -2.66 0.00 0.00 176.95 173.88 1xe7 s VAL 140 N 0.97 3.51 -0.32 -0.66 1.01 -1.26 -1.03 120.40 122.62 1xe7 s VAL 140 Ca -0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1xe7 s VAL 140 Cb -0.05 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1xe7 s VAL 140 CO -0.09 0.46 0.19 -0.69 0.00 0.00 0.00 175.10 174.98 1xe7 s VAL 141 N 0.93 4.95 0.77 2.92 1.01 -0.62 -4.94 120.40 125.42 1xe7 s VAL 141 Ca -0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1xe7 s VAL 141 Cb -0.15 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1xe7 s VAL 141 CO 0.01 0.04 0.94 -2.65 0.00 0.00 0.00 175.10 173.43 1xe7 n PRO 142 N 5.04 0.29 -1.68 2.72 -0.02 -1.26 -1.48 135.00 138.62 1xe7 n PRO 142 Ca -0.13 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.17 1xe7 n PRO 142 Cb 0.49 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1xe7 n PRO 142 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xe7 s GLY 143 N -1.82 2.31 0.00 -1.23 0.00 -1.26 -3.07 107.32 102.26 1xe7 s GLY 143 Ca 0.71 0.73 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1xe7 s GLY 143 CO 0.53 1.11 0.00 0.61 0.00 0.00 0.00 173.10 175.35 1xe7 n GLY 144 N -0.02 1.36 3.61 0.20 0.00 0.33 -4.93 105.19 105.73 1xe7 n GLY 144 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1xe7 n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe7 s VAL 145 N -3.56 5.20 0.17 1.61 1.01 -1.17 -4.24 120.40 119.41 1xe7 s VAL 145 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1xe7 s VAL 145 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 1xe7 s VAL 145 CO 0.00 0.31 1.29 -0.36 0.00 0.00 0.00 175.10 176.33 1xe7 s PHE 146 N 1.39 3.31 0.01 5.22 0.40 -0.74 -4.56 117.98 123.01 1xe7 s PHE 146 Ca 0.07 1.23 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 1xe7 s PHE 146 Cb -0.15 -3.56 -0.01 0.00 0.51 0.00 0.00 43.02 39.81 1xe7 s PHE 146 CO 0.07 -1.75 -0.11 -1.59 0.70 0.00 0.00 175.22 172.54 1xe7 s LYS 147 N 0.20 0.85 0.04 0.44 -2.85 -0.43 -0.69 119.74 117.30 1xe7 s LYS 147 Ca 0.57 -0.53 -0.01 0.00 -1.00 0.00 0.00 55.97 55.00 1xe7 s LYS 147 Cb -0.35 -0.82 -0.03 0.00 -2.06 0.00 0.00 37.83 34.57 1xe7 s LYS 147 CO 0.35 0.21 -0.03 0.00 0.10 0.00 0.00 175.35 175.98 1xe7 s ALA 148 N -0.54 0.42 0.03 0.59 0.00 -0.70 -2.23 121.76 119.34 1xe7 s ALA 148 Ca 0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1xe7 s ALA 148 Cb -0.06 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1xe7 s ALA 148 CO 0.00 -0.30 0.17 -1.54 0.00 0.00 0.00 175.76 174.09 1xe7 s SER 149 N -2.51 0.05 0.01 0.00 1.04 -0.39 -0.88 113.70 111.03 1xe7 s SER 149 Ca 0.01 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 1xe7 s SER 149 Cb 0.03 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1xe7 s SER 149 CO -0.07 -0.52 0.07 0.72 0.98 0.00 0.00 173.24 174.42 1xe7 s PHE 150 N -2.35 0.14 0.34 5.02 -0.71 -0.48 0.25 117.98 120.19 1xe7 s PHE 150 Ca -0.07 -0.33 -0.28 0.00 -1.04 0.00 0.00 56.93 55.21 1xe7 s PHE 150 Cb -0.02 -0.11 -0.10 0.00 -1.21 0.00 0.00 43.02 41.58 1xe7 s PHE 150 CO -0.03 -0.27 1.24 -1.17 -1.34 0.00 0.00 175.22 173.66 1xe7 s LEU 151 N -1.53 4.39 -0.07 -1.99 2.96 0.56 -1.65 118.68 121.34 1xe7 s LEU 151 Ca -0.14 2.55 0.01 0.00 -0.22 0.00 0.00 54.13 56.33 1xe7 s LEU 151 Cb -0.07 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1xe7 s LEU 151 CO -0.00 -0.52 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.66 1xe7 s LEU 152 N -1.91 3.02 0.36 -0.68 1.43 -1.09 -4.70 118.68 115.11 1xe7 s LEU 152 Ca 0.50 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1xe7 s LEU 152 Cb -0.37 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 1xe7 s LEU 152 CO 0.48 0.33 1.45 -0.81 0.23 0.00 0.00 176.35 178.02 1xe7 n PRO 153 N 2.44 2.54 -3.36 1.29 -0.04 -1.26 -4.59 135.00 132.02 1xe7 n PRO 153 Ca -0.18 0.89 0.02 0.00 -0.04 0.00 0.00 63.50 64.20 1xe7 n PRO 153 Cb 0.53 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1xe7 n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xe7 s ASN 154 N -0.13 -0.77 0.20 3.54 4.22 -1.26 -4.93 114.94 115.81 1xe7 s ASN 154 Ca 0.55 0.84 0.25 0.00 -2.14 0.00 0.00 52.86 52.35 1xe7 s ASN 154 Cb -0.50 1.79 0.90 0.00 1.28 0.00 0.00 41.25 44.72 1xe7 s ASN 154 CO 0.62 -0.15 1.75 -0.62 -2.04 0.00 0.00 177.10 176.67 1xe7 n GLU 155 N 5.22 0.20 -0.20 3.55 -0.58 -1.26 0.50 120.64 128.06 1xe7 n GLU 155 Ca -0.08 0.27 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1xe7 n GLU 155 Cb 0.52 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1xe7 n GLU 155 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1xe7 h GLU 156 N 0.00 0.75 -0.49 3.49 4.11 -1.98 -2.97 114.58 117.50 1xe7 h GLU 156 Ca 0.00 -0.05 -0.33 0.00 0.07 0.00 0.00 59.36 59.05 1xe7 h GLU 156 Cb 0.55 -0.17 -0.23 0.00 0.50 0.00 0.00 28.75 29.41 1xe7 h GLU 156 CO 0.00 0.50 -0.38 0.34 0.07 0.00 0.00 179.01 179.54 1xe7 n PHE 157 N -4.69 1.70 -4.03 2.06 7.35 -1.24 -4.94 117.46 113.67 1xe7 n PHE 157 Ca 0.04 -1.96 -0.30 0.00 -0.76 0.00 0.00 57.45 54.47 1xe7 n PHE 157 Cb 0.04 -0.47 -0.01 0.00 0.35 0.00 0.00 39.48 39.39 1xe7 n PHE 157 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xe7 n ASP 158 N -0.94 -2.46 -3.47 -2.13 2.03 -1.12 -1.20 116.55 107.26 1xe7 n ASP 158 Ca 0.37 -0.95 -0.21 0.00 0.52 0.00 0.00 54.79 54.52 1xe7 n ASP 158 Cb 0.90 -3.19 0.08 0.00 -0.72 0.00 0.00 41.12 38.18 1xe7 n ASP 158 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xe7 n ASN 159 N -2.84 -5.06 -4.69 1.67 3.02 0.18 -4.88 115.26 102.67 1xe7 n ASN 159 Ca -0.09 -0.55 -0.25 0.00 -0.03 0.00 0.00 54.58 53.66 1xe7 n ASN 159 Cb 0.58 -4.94 -0.08 0.00 -0.61 0.00 0.00 39.78 34.73 1xe7 n ASN 159 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xe7 s GLY 160 N -3.60 2.25 -0.31 7.41 0.00 -0.34 -4.08 107.32 108.66 1xe7 s GLY 160 Ca 0.41 -2.08 0.01 0.00 0.00 0.00 0.00 44.72 43.06 1xe7 s GLY 160 CO 0.71 -1.93 0.34 -0.12 0.00 0.00 0.00 173.10 172.10 1xe7 s PHE 161 N -2.58 -0.55 -0.19 1.90 5.36 -0.86 -3.45 117.98 117.62 1xe7 s PHE 161 Ca 0.38 -0.20 -0.06 0.00 -0.96 0.00 0.00 56.93 56.09 1xe7 s PHE 161 Cb 0.03 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1xe7 s PHE 161 CO 0.21 -0.95 0.02 -1.17 -1.46 0.00 0.00 175.22 171.87 1xe7 s LEU 162 N 2.22 3.50 0.24 6.12 2.96 0.52 -1.73 118.68 132.50 1xe7 s LEU 162 Ca 0.11 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1xe7 s LEU 162 Cb -0.14 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1xe7 s LEU 162 CO -0.27 0.13 0.12 0.27 -1.32 0.00 0.00 176.35 175.28 1xe7 s ILE 163 N 0.64 0.31 0.02 6.68 -4.36 -0.36 -1.34 121.20 122.79 1xe7 s ILE 163 Ca 0.01 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 1xe7 s ILE 163 Cb -0.14 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1xe7 s ILE 163 CO 0.02 0.00 -0.26 -0.44 0.24 0.00 0.00 174.94 174.50 1xe7 s SER 164 N -3.26 3.11 -0.04 4.36 0.01 -0.38 -0.67 113.70 116.82 1xe7 s SER 164 Ca 0.38 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1xe7 s SER 164 Cb 0.07 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 1xe7 s SER 164 CO 0.14 0.29 -0.17 -1.61 0.41 0.00 0.00 173.24 172.29 1xe7 s GLU 165 N -0.96 1.77 -0.15 12.44 2.02 -0.64 -0.55 118.70 132.62 1xe7 s GLU 165 Ca 0.11 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1xe7 s GLU 165 Cb -0.10 -1.54 0.02 0.00 0.10 0.00 0.00 34.13 32.61 1xe7 s GLU 165 CO 0.01 0.24 -0.16 0.08 0.02 0.00 0.00 175.26 175.44 1xe7 s VAL 166 N 0.05 1.73 -0.16 2.63 1.01 0.26 -1.77 120.40 124.16 1xe7 s VAL 166 Ca -0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1xe7 s VAL 166 Cb -0.12 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1xe7 s VAL 166 CO 0.02 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1xe7 s VAL 167 N 1.35 4.39 -0.09 2.92 1.01 -0.62 -1.45 120.40 127.91 1xe7 s VAL 167 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1xe7 s VAL 167 Cb -0.13 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1xe7 s VAL 167 CO -0.10 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 174.87 1xe7 s VAL 168 N 0.14 -0.01 1.01 2.92 1.01 -1.26 -1.85 120.40 122.36 1xe7 s VAL 168 Ca 0.02 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1xe7 s VAL 168 Cb -0.13 -0.36 0.19 0.00 0.00 0.00 0.00 36.38 36.09 1xe7 s VAL 168 CO 0.02 0.05 1.09 -2.84 0.00 0.00 0.00 175.10 173.41 1xe7 s PRO 169 N 2.12 0.33 0.59 2.72 0.02 -1.26 -4.46 135.00 135.05 1xe7 s PRO 169 Ca 0.04 1.15 -0.19 0.00 0.02 0.00 0.00 61.00 62.03 1xe7 s PRO 169 Cb -0.13 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 1xe7 s PRO 169 CO -0.05 -2.98 0.87 0.41 -0.33 0.00 0.00 177.00 174.93 1xe7 n GLY 170 N 0.19 -0.56 3.66 0.52 0.00 0.91 -4.78 105.19 105.14 1xe7 n GLY 170 Ca 0.08 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1xe7 n GLY 170 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xe7 n PHE 171 N -1.67 2.05 -3.75 1.61 7.35 -1.26 -4.68 117.46 117.11 1xe7 n PHE 171 Ca 0.13 0.50 -0.12 0.00 -0.76 0.00 0.00 57.45 57.20 1xe7 n PHE 171 Cb 0.47 -2.42 -0.12 0.00 0.35 0.00 0.00 39.48 37.76 1xe7 n PHE 171 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xe7 s ASP 172 N 0.07 -0.30 0.55 -2.13 -1.08 -1.26 -4.95 116.67 107.57 1xe7 s ASP 172 Ca 0.65 0.57 0.26 0.00 -0.52 0.00 0.00 52.55 53.51 1xe7 s ASP 172 Cb -0.65 0.50 1.44 0.00 -1.46 0.00 0.00 42.92 42.75 1xe7 s ASP 172 CO 0.53 -0.14 2.00 -0.26 0.52 0.00 0.00 175.17 177.82 1xe7 h PHE 173 N 6.60 0.00 0.00 -5.34 -1.00 -1.95 -0.22 116.94 115.04 1xe7 h PHE 173 Ca -0.34 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.44 1xe7 h PHE 173 Cb 1.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.73 1xe7 h PHE 173 CO 0.36 0.00 -0.00 0.93 -1.61 0.00 0.00 178.31 177.99 1xe7 h GLU 174 N 0.00 0.00 -0.08 1.51 5.08 -2.01 -2.19 114.58 116.89 1xe7 h GLU 174 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xe7 h GLU 174 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xe7 h GLU 174 CO -0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1xe7 n ASP 175 N -3.12 2.68 -4.88 1.42 8.00 -0.10 -4.98 116.55 115.58 1xe7 n ASP 175 Ca -0.02 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.32 1xe7 n ASP 175 Cb 0.15 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1xe7 n ASP 175 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xe7 s HIS 176 N -1.51 3.56 -0.12 1.24 2.46 -0.82 -1.45 115.29 118.63 1xe7 s HIS 176 Ca 0.24 0.44 -0.04 0.00 0.47 0.00 0.00 55.06 56.16 1xe7 s HIS 176 Cb 0.16 -1.88 0.06 0.00 -0.13 0.00 0.00 32.58 30.79 1xe7 s HIS 176 CO 0.24 0.69 0.24 0.99 -2.47 0.00 0.00 174.74 174.43 1xe7 s THR 177 N -1.16 -0.38 -0.03 0.89 2.01 0.95 -4.99 115.64 112.93 1xe7 s THR 177 Ca 0.21 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1xe7 s THR 177 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1xe7 s THR 177 CO 0.11 0.11 0.22 0.72 -0.69 0.00 0.00 174.62 175.08 1xe7 s PHE 178 N 2.39 3.59 0.28 4.92 -0.00 -1.26 0.17 117.98 128.07 1xe7 s PHE 178 Ca 0.02 0.53 -0.29 0.00 -0.00 0.00 0.00 56.93 57.19 1xe7 s PHE 178 Cb -0.12 -1.95 -0.09 0.00 -0.00 0.00 0.00 43.02 40.85 1xe7 s PHE 178 CO -0.08 0.66 1.08 -1.17 -0.00 0.00 0.00 175.22 175.71 1xe7 s LEU 179 N -1.56 4.54 -0.56 -1.99 0.20 -0.84 -4.95 118.68 113.52 1xe7 s LEU 179 Ca 0.24 2.22 -0.15 0.00 0.69 0.00 0.00 54.13 57.12 1xe7 s LEU 179 Cb -0.13 -3.66 0.14 0.00 -0.43 0.00 0.00 46.19 42.11 1xe7 s LEU 179 CO 0.13 -0.13 0.50 -0.54 -0.29 0.00 0.00 176.35 176.03 1xe7 s LYS 180 N -1.48 2.98 0.14 1.98 1.02 -1.26 -4.13 119.74 118.99 1xe7 s LYS 180 Ca 0.45 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1xe7 s LYS 180 Cb -0.31 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1xe7 s LYS 180 CO 0.39 -1.31 0.00 0.41 -0.92 0.00 0.00 175.35 173.92 1xe7 n GLY 181 N 5.11 -0.71 0.34 -3.33 0.00 -1.26 -3.18 105.19 102.15 1xe7 n GLY 181 Ca -0.11 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.64 1xe7 n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xe7 h GLU 182 N 0.00 0.00 0.00 1.61 5.08 -1.90 -3.00 114.58 116.36 1xe7 h GLU 182 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xe7 h GLU 182 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xe7 h GLU 182 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1xe7 n ASP 183 N -4.36 0.00 0.05 1.42 8.00 -1.25 0.15 116.55 120.55 1xe7 n ASP 183 Ca 0.05 0.92 0.02 0.00 0.71 0.00 0.00 54.79 56.49 1xe7 n ASP 183 Cb 0.42 -0.42 0.38 0.00 -0.02 0.00 0.00 41.12 41.49 1xe7 n ASP 183 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xe7 h GLU 184 N 0.00 0.41 -0.55 -1.24 4.81 -1.50 -2.60 114.58 113.90 1xe7 h GLU 184 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1xe7 h GLU 184 Cb 0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xe7 h GLU 184 CO 0.00 0.41 0.27 1.25 -0.73 0.00 0.00 179.01 180.20 1xe7 h LEU 185 N 0.40 0.72 -1.85 1.64 6.46 -1.17 -2.44 115.31 119.07 1xe7 h LEU 185 Ca 0.09 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1xe7 h LEU 185 Cb 0.21 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1xe7 h LEU 185 CO 0.00 0.65 0.02 0.50 -0.62 0.00 0.00 178.44 178.99 1xe7 h LYS 186 N 0.74 0.11 0.00 1.25 3.64 0.17 -1.45 116.57 121.04 1xe7 h LYS 186 Ca 0.19 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1xe7 h LYS 186 Cb 0.12 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1xe7 h LYS 186 CO -0.02 0.11 -0.38 0.45 -2.27 0.00 0.00 179.45 177.33 1xe7 h HIS 187 N 0.11 0.00 0.05 1.91 3.86 -1.37 -3.32 115.15 116.39 1xe7 h HIS 187 Ca 0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1xe7 h HIS 187 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1xe7 h HIS 187 CO 0.00 0.38 -0.64 -0.07 0.86 0.00 0.00 177.93 178.47 1xe7 h LEU 188 N 0.00 0.17 -9.69 2.43 3.38 -1.04 -3.48 115.31 107.08 1xe7 h LEU 188 Ca -0.00 -0.88 -0.61 0.00 0.09 0.00 0.00 57.88 56.47 1xe7 h LEU 188 Cb 1.14 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1xe7 h LEU 188 CO 0.05 1.28 -0.58 0.54 0.09 0.00 0.00 178.44 179.81 1xe7 s VAL 189 N -2.33 2.10 0.70 1.22 0.11 -0.64 -4.22 120.40 117.34 1xe7 s VAL 189 Ca -0.20 -1.95 -0.17 0.00 -2.93 0.00 0.00 61.98 56.74 1xe7 s VAL 189 Cb 0.01 -2.97 -0.07 0.00 -1.53 0.00 0.00 36.38 31.82 1xe7 s VAL 189 CO 0.72 -0.02 0.33 0.61 -3.33 0.00 0.00 175.10 173.41 1xe7 n GLY 190 N -1.01 -2.01 0.26 6.54 0.00 -1.26 -4.49 105.19 103.21 1xe7 n GLY 190 Ca -0.04 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1xe7 n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xe7 h PRO 191 N -0.33 0.00 0.04 1.61 0.13 -1.94 -1.93 132.00 129.58 1xe7 h PRO 191 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1xe7 h PRO 191 Cb 1.36 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.52 1xe7 h PRO 191 CO 0.41 0.11 -1.06 1.05 -0.23 0.00 0.00 178.00 178.29 1xe7 h GLU 192 N 0.00 0.64 -0.47 0.86 4.11 -1.95 -3.25 114.58 114.52 1xe7 h GLU 192 Ca -0.00 -0.75 -0.08 0.00 0.07 0.00 0.00 59.36 58.60 1xe7 h GLU 192 Cb 0.26 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1xe7 h GLU 192 CO 0.01 1.32 -0.05 -0.22 0.07 0.00 0.00 179.01 180.15 1xe7 h LYS 193 N 0.29 0.81 -0.01 1.06 1.63 -1.78 -2.04 116.57 116.53 1xe7 h LYS 193 Ca -0.14 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1xe7 h LYS 193 Cb 1.73 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.28 1xe7 h LYS 193 CO 0.21 0.84 0.01 0.00 -3.45 0.00 0.00 179.45 177.06 1xe7 h ALA 194 N 1.20 1.52 0.01 5.00 0.00 -1.42 0.83 119.26 126.40 1xe7 h ALA 194 Ca 0.14 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1xe7 h ALA 194 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xe7 h ALA 194 CO 0.03 -0.01 -0.92 0.00 0.00 0.00 0.00 179.25 178.35 1xe7 h ALA 195 N 1.99 0.49 0.04 0.00 0.00 -1.40 -0.63 119.26 119.74 1xe7 h ALA 195 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 1xe7 h ALA 195 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xe7 h ALA 195 CO -0.00 1.03 -1.09 1.49 0.00 0.00 0.00 179.25 180.68 1xe7 h GLU 196 N 0.04 0.08 -0.47 0.00 4.81 -0.80 -3.29 114.58 114.96 1xe7 h GLU 196 Ca -0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1xe7 h GLU 196 Cb 1.59 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1xe7 h GLU 196 CO 0.13 1.06 0.00 1.28 -0.73 0.00 0.00 179.01 180.75 1xe7 n LEU 197 N -3.40 3.44 -0.08 1.64 4.77 -0.26 -4.54 117.00 118.57 1xe7 n LEU 197 Ca -0.03 -1.71 0.14 0.00 -0.03 0.00 0.00 56.01 54.38 1xe7 n LEU 197 Cb 0.97 -0.31 0.53 0.00 -2.33 0.00 0.00 43.42 42.28 1xe7 n LEU 197 CO 0.49 0.80 1.19 0.00 -1.33 0.00 0.00 177.39 178.54 1xe7 h ALA 198 N 3.87 2.10 0.00 -1.18 0.00 -1.18 -0.75 119.26 122.13 1xe7 h ALA 198 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xe7 h ALA 198 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xe7 h ALA 198 CO 0.00 -0.25 0.00 1.97 0.00 0.00 0.00 179.25 180.97 1xe7 n PHE 199 N -4.46 0.00 0.65 0.00 1.16 -1.26 -2.35 117.46 111.20 1xe7 n PHE 199 Ca 0.11 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.78 1xe7 n PHE 199 Cb 0.43 -0.36 0.10 0.00 -1.61 0.00 0.00 39.48 38.04 1xe7 n PHE 199 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1xe7 n LEU 200 N -1.36 2.65 0.00 5.98 4.77 -0.29 -5.00 117.00 123.76 1xe7 n LEU 200 Ca 0.07 -1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 54.63 1xe7 n LEU 200 Cb 0.16 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1xe7 n LEU 200 CO 0.14 0.49 -0.22 0.00 -1.33 0.00 0.00 177.39 176.48 1xe7 n ALA 201 N 1.06 0.49 -0.64 -1.18 0.00 -0.99 -0.60 120.51 118.65 1xe7 n ALA 201 Ca 0.12 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1xe7 n ALA 201 Cb 0.47 1.33 0.00 0.00 0.00 0.00 0.00 19.45 21.25 1xe7 n ALA 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08