#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs2 s MET 7 N 0.00 2.06 0.00 2.89 -1.94 -1.26 -5.02 119.30 116.03 1xs2 s MET 7 Ca 0.00 1.37 0.05 0.00 -1.71 0.00 0.00 55.69 55.40 1xs2 s MET 7 Cb 0.00 -1.86 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 1xs2 s MET 7 CO 0.00 -1.82 -0.17 -0.59 -0.01 0.00 0.00 175.02 172.43 1xs2 s PHE 8 N -2.63 1.51 -0.18 -0.03 -0.71 -0.17 -4.94 117.98 110.83 1xs2 s PHE 8 Ca 0.65 -0.30 -0.04 0.00 -1.04 0.00 0.00 56.93 56.20 1xs2 s PHE 8 Cb -0.20 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.63 1xs2 s PHE 8 CO 0.52 -0.00 -0.04 0.21 -1.34 0.00 0.00 175.22 174.57 1xs2 s LYS 9 N -0.58 3.55 -0.49 1.99 2.20 -1.26 -0.82 119.74 124.33 1xs2 s LYS 9 Ca 0.06 -0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 54.88 1xs2 s LYS 9 Cb -0.07 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1xs2 s LYS 9 CO -0.00 0.06 0.81 0.42 -0.36 0.00 0.00 175.35 176.28 1xs2 s ILE 10 N 0.83 4.61 -0.13 5.43 1.01 -1.01 -4.06 121.20 127.87 1xs2 s ILE 10 Ca -0.01 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.97 1xs2 s ILE 10 Cb -0.15 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.71 1xs2 s ILE 10 CO 0.02 -0.85 0.33 -0.62 0.00 0.00 0.00 174.94 173.82 1xs2 n GLU 11 N 6.85 0.68 -3.83 2.79 1.02 -0.25 -0.14 120.64 127.76 1xs2 n GLU 11 Ca 0.01 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 1xs2 n GLU 11 Cb 0.48 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1xs2 n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xs2 s ALA 12 N -2.55 -0.44 -0.01 0.62 0.00 -1.20 -4.24 121.76 113.94 1xs2 s ALA 12 Ca -0.14 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1xs2 s ALA 12 Cb 0.07 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1xs2 s ALA 12 CO 0.78 -0.67 -0.01 0.00 0.00 0.00 0.00 175.76 175.87 1xs2 s ALA 13 N -3.90 0.20 -0.10 0.00 0.00 -0.71 -1.27 121.76 115.98 1xs2 s ALA 13 Ca 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1xs2 s ALA 13 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1xs2 s ALA 13 CO -0.04 -0.02 -0.08 -1.21 0.00 0.00 0.00 175.76 174.41 1xs2 s GLU 14 N 0.47 3.07 -0.27 0.00 2.02 -0.36 -0.45 118.70 123.18 1xs2 s GLU 14 Ca -0.04 -0.58 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 1xs2 s GLU 14 Cb -0.07 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 1xs2 s GLU 14 CO -0.01 0.47 0.10 0.42 0.02 0.00 0.00 175.26 176.26 1xs2 s ILE 15 N -0.29 4.36 -0.14 -1.63 1.01 -0.85 -1.19 121.20 122.47 1xs2 s ILE 15 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1xs2 s ILE 15 Cb -0.13 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.24 1xs2 s ILE 15 CO 0.03 0.22 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 1xs2 s VAL 16 N 1.60 1.42 -0.19 2.92 1.01 -0.62 -1.51 120.40 125.03 1xs2 s VAL 16 Ca 0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1xs2 s VAL 16 Cb -0.16 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1xs2 s VAL 16 CO 0.04 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1xs2 s VAL 17 N 1.55 4.68 0.21 2.92 1.01 -0.27 -0.82 120.40 129.67 1xs2 s VAL 17 Ca 0.05 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.07 1xs2 s VAL 17 Cb -0.13 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1xs2 s VAL 17 CO -0.10 0.45 -0.23 0.00 0.00 0.00 0.00 175.10 175.22 1xs2 s ALA 18 N 0.52 2.53 -0.29 5.51 0.00 -0.21 -1.16 121.76 128.67 1xs2 s ALA 18 Ca 0.03 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.34 1xs2 s ALA 18 Cb -0.13 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.77 1xs2 s ALA 18 CO 0.01 0.38 -0.01 0.50 0.00 0.00 0.00 175.76 176.64 1xs2 s ARG 19 N -2.85 1.65 -0.21 0.00 3.52 -0.61 0.26 118.95 120.72 1xs2 s ARG 19 Ca 0.22 -1.47 -0.09 0.00 -0.13 0.00 0.00 55.73 54.26 1xs2 s ARG 19 Cb -0.07 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 1xs2 s ARG 19 CO 0.11 -0.77 0.11 -1.17 -0.81 0.00 0.00 175.30 172.77 1xs2 s LEU 20 N 1.13 4.01 0.28 -0.88 2.96 -0.00 -4.85 118.68 121.32 1xs2 s LEU 20 Ca 0.02 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 1xs2 s LEU 20 Cb -0.19 -2.04 -0.10 0.00 0.50 0.00 0.00 46.19 44.36 1xs2 s LEU 20 CO -0.08 0.13 1.17 -2.16 -1.32 0.00 0.00 176.35 174.09 1xs2 s PRO 21 N 0.65 4.54 0.90 0.98 0.04 -1.26 -1.46 135.00 139.39 1xs2 s PRO 21 Ca 0.06 1.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1xs2 s PRO 21 Cb -0.12 -3.16 0.15 0.00 0.04 0.00 0.00 34.50 31.40 1xs2 s PRO 21 CO 0.01 0.06 1.24 -0.51 0.04 0.00 0.00 177.00 177.84 1xs2 s LEU 22 N -1.41 2.48 -0.20 -3.56 1.43 -1.26 -4.47 118.68 111.69 1xs2 s LEU 22 Ca 0.47 0.57 0.15 0.00 -1.03 0.00 0.00 54.13 54.29 1xs2 s LEU 22 Cb -0.34 -2.82 0.78 0.00 0.03 0.00 0.00 46.19 43.84 1xs2 s LEU 22 CO 0.44 -2.41 1.70 1.17 0.23 0.00 0.00 176.35 177.48 1xs2 n LYS 23 N -3.61 4.50 -0.03 1.70 4.81 -0.76 -4.75 118.16 120.01 1xs2 n LYS 23 Ca 0.11 -3.08 -0.21 0.00 -0.87 0.00 0.00 58.31 54.26 1xs2 n LYS 23 Cb 0.60 -2.15 -0.13 0.00 0.02 0.00 0.00 35.03 33.37 1xs2 n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xs2 h THR 34 N 3.89 1.02 -3.68 3.15 1.03 -2.02 -3.50 112.91 112.80 1xs2 h THR 34 Ca 0.00 -2.32 -0.44 0.00 -0.01 0.00 0.00 66.41 63.64 1xs2 h THR 34 Cb 1.82 2.60 -0.14 0.00 -1.07 0.00 0.00 68.15 71.36 1xs2 h THR 34 CO 0.41 0.60 -0.56 -1.00 -0.01 0.00 0.00 175.52 174.96 1xs2 s HIS 35 N -2.43 1.65 -0.03 0.00 0.09 -1.26 -4.74 115.29 108.57 1xs2 s HIS 35 Ca -0.23 -1.32 -0.00 0.00 -0.00 0.00 0.00 55.06 53.51 1xs2 s HIS 35 Cb 0.04 -0.93 0.03 0.00 -0.00 0.00 0.00 32.58 31.72 1xs2 s HIS 35 CO 0.71 -0.44 0.02 0.21 -0.00 0.00 0.00 174.74 175.24 1xs2 s LYS 36 N -3.82 0.08 0.01 1.40 2.36 -0.54 -4.88 119.74 114.35 1xs2 s LYS 36 Ca 0.34 0.17 -0.26 0.00 -2.55 0.00 0.00 55.97 53.67 1xs2 s LYS 36 Cb 0.05 -0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 36.42 1xs2 s LYS 36 CO 0.17 -0.18 0.82 0.08 1.55 0.00 0.00 175.35 177.79 1xs2 s VAL 37 N 1.20 4.83 -0.31 4.02 1.01 -1.26 -0.82 120.40 129.07 1xs2 s VAL 37 Ca -0.07 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1xs2 s VAL 37 Cb -0.13 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.17 1xs2 s VAL 37 CO -0.03 0.28 0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1xs2 s VAL 38 N 0.46 1.86 -0.08 2.92 1.01 0.14 -4.96 120.40 121.75 1xs2 s VAL 38 Ca 0.42 -1.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1xs2 s VAL 38 Cb -0.20 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1xs2 s VAL 38 CO 0.24 -0.48 0.88 -2.16 0.00 0.00 0.00 175.10 173.57 1xs2 s PRO 39 N 1.15 4.44 0.02 2.72 0.05 -1.26 -1.04 135.00 141.07 1xs2 s PRO 39 Ca 0.06 1.18 0.06 0.00 0.05 0.00 0.00 61.00 62.35 1xs2 s PRO 39 Cb -0.19 -3.50 -0.03 0.00 0.05 0.00 0.00 34.50 30.83 1xs2 s PRO 39 CO -0.11 -0.14 -0.16 -0.51 0.05 0.00 0.00 177.00 176.13 1xs2 s LEU 40 N 1.43 2.68 -0.11 -3.56 1.43 -0.00 -0.01 118.68 120.54 1xs2 s LEU 40 Ca 0.44 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1xs2 s LEU 40 Cb -0.19 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1xs2 s LEU 40 CO 0.20 0.28 -0.22 -0.22 0.23 0.00 0.00 176.35 176.62 1xs2 s LEU 41 N -1.26 2.23 -0.19 1.79 2.96 0.37 -1.59 118.68 122.99 1xs2 s LEU 41 Ca 0.14 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1xs2 s LEU 41 Cb -0.11 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1xs2 s LEU 41 CO 0.04 0.16 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.46 1xs2 s ILE 42 N 0.36 2.62 -0.10 6.68 1.01 -0.33 -0.70 121.20 130.74 1xs2 s ILE 42 Ca -0.17 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 1xs2 s ILE 42 Cb -0.17 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1xs2 s ILE 42 CO 0.08 0.50 0.03 -0.76 0.00 0.00 0.00 174.94 174.79 1xs2 s LEU 43 N 1.24 3.77 -0.07 2.97 1.43 0.18 -1.22 118.68 126.98 1xs2 s LEU 43 Ca 0.03 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1xs2 s LEU 43 Cb -0.14 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1xs2 s LEU 43 CO -0.07 0.38 -0.21 -1.00 0.23 0.00 0.00 176.35 175.68 1xs2 s HIS 44 N -0.86 2.55 -0.28 0.29 3.76 -0.40 -0.64 115.29 119.72 1xs2 s HIS 44 Ca 0.13 -0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 1xs2 s HIS 44 Cb -0.12 -1.64 0.17 0.00 1.11 0.00 0.00 32.58 32.11 1xs2 s HIS 44 CO 0.03 -0.11 1.32 0.20 -0.85 0.00 0.00 174.74 175.33 1xs2 s GLY 45 N -0.24 0.18 -1.47 -2.22 0.00 -1.02 -1.09 107.32 101.45 1xs2 s GLY 45 Ca -0.00 3.15 -0.07 0.00 0.00 0.00 0.00 44.72 47.80 1xs2 s GLY 45 CO 0.03 1.72 0.70 1.18 0.00 0.00 0.00 173.10 176.73 1xs2 n GLU 46 N 1.47 -5.07 -0.97 2.90 -0.58 -1.26 -1.64 120.64 115.50 1xs2 n GLU 46 Ca -0.09 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1xs2 n GLU 46 Cb 0.57 -5.64 0.00 0.00 -0.57 0.00 0.00 31.44 25.80 1xs2 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs2 n GLY 47 N -1.53 0.40 1.95 0.62 0.00 -1.26 -4.98 105.19 100.39 1xs2 n GLY 47 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1xs2 n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xs2 n VAL 48 N -2.52 0.00 -3.83 1.61 0.24 -0.65 -5.14 118.33 108.04 1xs2 n VAL 48 Ca 0.00 -1.34 -0.12 0.00 -2.04 0.00 0.00 64.34 60.84 1xs2 n VAL 48 Cb 0.14 0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 32.78 1xs2 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xs2 s GLN 49 N -2.94 0.34 -0.11 7.34 -2.07 -1.26 -2.44 119.66 118.52 1xs2 s GLN 49 Ca 0.07 -0.00 -0.04 0.00 -1.82 0.00 0.00 55.36 53.56 1xs2 s GLN 49 Cb 0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1xs2 s GLN 49 CO 0.05 -0.07 0.06 0.20 -1.32 0.00 0.00 175.29 174.21 1xs2 s GLY 50 N -0.52 1.97 -0.07 2.60 0.00 0.19 -4.54 107.32 106.94 1xs2 s GLY 50 Ca -0.06 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.95 1xs2 s GLY 50 CO 0.01 -0.45 -0.17 0.14 0.00 0.00 0.00 173.10 172.63 1xs2 s VAL 51 N -0.84 1.48 0.15 1.40 1.01 -1.26 0.51 120.40 122.85 1xs2 s VAL 51 Ca 0.13 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1xs2 s VAL 51 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1xs2 s VAL 51 CO 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 1xs2 s ALA 52 N 0.48 1.43 -0.15 5.51 0.00 0.12 -4.57 121.76 124.58 1xs2 s ALA 52 Ca -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1xs2 s ALA 52 Cb -0.16 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1xs2 s ALA 52 CO 0.05 -0.11 -0.15 -2.00 0.00 0.00 0.00 175.76 173.55 1xs2 s GLU 53 N -3.76 3.22 0.37 0.00 2.12 -1.26 -0.48 118.70 118.91 1xs2 s GLU 53 Ca 0.17 -0.75 -0.26 0.00 0.36 0.00 0.00 54.97 54.49 1xs2 s GLU 53 Cb 0.03 -2.62 -0.09 0.00 0.26 0.00 0.00 34.13 31.71 1xs2 s GLU 53 CO 0.00 0.03 1.13 0.20 -0.54 0.00 0.00 175.26 176.09 1xs2 s GLY 54 N 0.77 2.89 0.00 -1.50 0.00 0.99 -4.85 107.32 105.63 1xs2 s GLY 54 Ca -0.06 0.91 0.12 0.00 0.00 0.00 0.00 44.72 45.69 1xs2 s GLY 54 CO 0.01 1.43 0.88 -1.30 0.00 0.00 0.00 173.10 174.11 1xs2 n THR 55 N 0.33 0.02 -1.62 0.90 -2.24 -1.26 -4.43 114.28 105.97 1xs2 n THR 55 Ca 0.03 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1xs2 n THR 55 Cb 0.47 1.23 0.05 0.00 -2.10 0.00 0.00 70.33 69.98 1xs2 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs2 s MET 56 N -0.97 2.75 0.50 -0.78 0.23 -1.26 -5.06 119.30 114.70 1xs2 s MET 56 Ca 0.14 1.21 0.03 0.00 -1.03 0.00 0.00 55.69 56.04 1xs2 s MET 56 Cb 0.10 -1.96 -0.01 0.00 -1.53 0.00 0.00 34.83 31.43 1xs2 s MET 56 CO 0.15 -1.27 0.10 -1.21 -2.03 0.00 0.00 175.02 170.76 1xs2 s GLU 57 N -4.51 2.19 0.26 3.16 2.02 -1.26 -4.68 118.70 115.88 1xs2 s GLU 57 Ca 0.63 -2.26 -0.01 0.00 0.02 0.00 0.00 54.97 53.35 1xs2 s GLU 57 Cb -0.17 -1.69 0.35 0.00 0.10 0.00 0.00 34.13 32.71 1xs2 s GLU 57 CO 0.48 -0.37 1.75 0.00 0.02 0.00 0.00 175.26 177.14 1xs2 h ALA 58 N 1.26 1.10 -3.64 5.21 0.00 -1.95 -0.71 119.26 120.53 1xs2 h ALA 58 Ca -0.42 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 53.71 1xs2 h ALA 58 Cb 1.30 -0.18 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 1xs2 h ALA 58 CO 0.71 0.57 -0.81 1.03 0.00 0.00 0.00 179.25 180.74 1xs2 s ARG 59 N -4.91 1.03 -1.24 0.00 0.52 -1.26 -4.41 118.95 108.69 1xs2 s ARG 59 Ca -0.09 -1.02 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 1xs2 s ARG 59 Cb 0.14 -1.17 0.08 0.00 0.52 0.00 0.00 34.95 34.52 1xs2 s ARG 59 CO 0.81 0.28 1.65 -1.25 0.02 0.00 0.00 175.30 176.80 1xs2 s PRO 60 N -1.68 3.93 -0.23 3.54 0.04 -1.26 -4.69 135.00 134.64 1xs2 s PRO 60 Ca 0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 61.00 59.15 1xs2 s PRO 60 Cb -0.10 -5.45 -0.14 0.00 0.04 0.00 0.00 34.50 28.85 1xs2 s PRO 60 CO 0.03 -2.20 -0.23 -1.33 0.04 0.00 0.00 177.00 173.31 1xs2 n MET 61 N 8.19 0.55 -0.01 4.56 2.81 -1.26 -4.65 117.12 127.32 1xs2 n MET 61 Ca 0.45 0.16 -0.22 0.00 -1.81 0.00 0.00 57.70 56.28 1xs2 n MET 61 Cb 0.47 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.41 1xs2 n MET 61 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1xs2 h TYR 62 N -0.23 0.41 -1.23 2.03 5.03 -1.96 -3.49 116.97 117.52 1xs2 h TYR 62 Ca -0.54 -0.30 0.00 0.00 2.58 0.00 0.00 58.73 60.48 1xs2 h TYR 62 Cb 1.72 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.98 1xs2 h TYR 62 CO -0.00 1.65 0.00 -2.13 -1.32 0.00 0.00 178.16 176.35 1xs2 n ARG 63 N -3.81 0.00 0.17 1.82 0.63 -1.26 -5.03 116.66 109.18 1xs2 n ARG 63 Ca -0.29 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.76 1xs2 n ARG 63 Cb 0.94 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.99 1xs2 n ARG 63 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1xs2 h GLU 64 N 0.00 0.00 -6.52 -0.14 9.09 -1.95 -3.40 114.58 111.66 1xs2 h GLU 64 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1xs2 h GLU 64 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 1xs2 h GLU 64 CO 0.00 0.00 -0.01 -1.21 0.05 0.00 0.00 179.01 177.84 1xs2 s GLU 65 N -3.24 3.97 0.11 1.06 2.02 -1.26 -4.79 118.70 116.57 1xs2 s GLU 65 Ca 0.05 0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.67 1xs2 s GLU 65 Cb 0.07 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1xs2 s GLU 65 CO 0.70 0.32 -0.23 0.95 0.02 0.00 0.00 175.26 177.02 1xs2 s THR 66 N -1.74 1.91 0.19 3.63 -4.23 -1.26 -4.15 115.64 109.99 1xs2 s THR 66 Ca 0.46 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1xs2 s THR 66 Cb -0.13 -1.72 0.15 0.00 1.34 0.00 0.00 72.50 72.15 1xs2 s THR 66 CO 0.19 -0.01 1.67 0.40 -0.54 0.00 0.00 174.62 176.34 1xs2 h ILE 67 N 4.01 0.56 -0.35 2.99 2.04 -1.33 0.40 117.51 125.83 1xs2 h ILE 67 Ca -0.48 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1xs2 h ILE 67 Cb 1.18 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1xs2 h ILE 67 CO 0.39 0.02 0.13 0.00 0.00 0.00 0.00 178.15 178.69 1xs2 h ALA 68 N 1.49 0.41 -0.50 1.87 0.00 -1.85 -0.36 119.26 120.31 1xs2 h ALA 68 Ca 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xs2 h ALA 68 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xs2 h ALA 68 CO -0.46 -0.26 0.30 0.78 0.00 0.00 0.00 179.25 179.60 1xs2 h GLY 69 N 0.28 0.73 1.54 0.00 0.00 -1.76 -2.32 103.07 101.54 1xs2 h GLY 69 Ca 0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1xs2 h GLY 69 CO -0.15 0.30 -0.77 0.00 0.00 0.00 0.00 176.54 175.92 1xs2 h ALA 70 N 1.14 0.53 -0.08 3.60 0.00 -0.43 -1.97 119.26 122.04 1xs2 h ALA 70 Ca 0.18 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1xs2 h ALA 70 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xs2 h ALA 70 CO -0.03 0.76 -0.63 -0.07 0.00 0.00 0.00 179.25 179.28 1xs2 h LEU 71 N 0.30 0.33 -0.75 0.00 3.38 -1.07 0.01 115.31 117.51 1xs2 h LEU 71 Ca -0.04 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1xs2 h LEU 71 Cb 1.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1xs2 h LEU 71 CO 0.14 0.88 -0.28 -0.78 0.09 0.00 0.00 178.44 178.48 1xs2 h ASP 72 N 0.21 0.65 -0.24 -0.43 3.58 -1.36 -1.43 116.42 117.40 1xs2 h ASP 72 Ca -0.01 -0.25 -0.14 0.00 0.42 0.00 0.00 57.03 57.05 1xs2 h ASP 72 Cb 1.15 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1xs2 h ASP 72 CO 0.10 0.90 -0.35 0.25 -2.88 0.00 0.00 179.24 177.26 1xs2 h LEU 73 N 0.55 0.81 0.25 2.28 5.85 -1.17 -0.06 115.31 123.82 1xs2 h LEU 73 Ca 0.07 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1xs2 h LEU 73 Cb 0.76 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xs2 h LEU 73 CO 0.06 1.09 -0.12 -0.07 -0.34 0.00 0.00 178.44 179.06 1xs2 h LEU 74 N 0.64 -0.28 -0.93 2.25 3.38 -0.81 -2.03 115.31 117.53 1xs2 h LEU 74 Ca 0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1xs2 h LEU 74 Cb 0.90 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1xs2 h LEU 74 CO 0.08 0.06 -0.40 0.08 0.09 0.00 0.00 178.44 178.36 1xs2 h ARG 75 N -0.65 0.00 0.00 1.13 0.11 -1.32 0.14 114.38 113.79 1xs2 h ARG 75 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1xs2 h ARG 75 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1xs2 h ARG 75 CO 0.06 0.40 -1.01 0.41 0.10 0.00 0.00 179.97 179.92 1xs2 n GLY 76 N 0.21 -1.35 2.03 0.08 0.00 -0.04 -4.47 105.19 101.65 1xs2 n GLY 76 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xs2 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xs2 n THR 77 N -2.32 0.00 -0.06 2.61 -1.04 -0.88 -4.86 114.28 107.73 1xs2 n THR 77 Ca 0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 1xs2 n THR 77 Cb 0.50 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.79 1xs2 n THR 77 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1xs2 h PHE 78 N 0.00 0.35 -0.21 -1.42 0.04 -1.35 -2.75 116.94 111.60 1xs2 h PHE 78 Ca 0.00 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 1xs2 h PHE 78 Cb 0.00 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1xs2 h PHE 78 CO 0.00 0.42 -0.08 -0.07 -0.60 0.00 0.00 178.31 177.99 1xs2 h LEU 79 N 0.17 0.43 -1.43 1.54 3.38 -0.96 -2.47 115.31 115.97 1xs2 h LEU 79 Ca 0.07 -0.39 0.22 0.00 0.09 0.00 0.00 57.88 57.87 1xs2 h LEU 79 Cb 0.24 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1xs2 h LEU 79 CO -0.00 0.72 0.63 -0.65 0.09 0.00 0.00 178.44 179.23 1xs2 h PRO 80 N 0.13 0.42 0.00 1.13 0.11 -1.76 -1.40 132.00 130.63 1xs2 h PRO 80 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1xs2 h PRO 80 Cb 0.55 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1xs2 h PRO 80 CO 0.03 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 1xs2 h ALA 81 N 1.61 1.00 0.00 -0.75 0.00 -1.13 -3.32 119.26 116.67 1xs2 h ALA 81 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1xs2 h ALA 81 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xs2 h ALA 81 CO -0.23 0.00 -1.29 0.44 0.00 0.00 0.00 179.25 178.17 1xs2 n ILE 82 N -2.69 0.07 -1.93 0.00 -5.35 -0.88 -4.90 119.36 103.67 1xs2 n ILE 82 Ca 0.03 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 1xs2 n ILE 82 Cb 0.37 0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1xs2 n ILE 82 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xs2 s LEU 83 N -3.59 4.37 0.00 7.28 1.43 -0.58 -1.50 118.68 126.09 1xs2 s LEU 83 Ca -0.02 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1xs2 s LEU 83 Cb 0.03 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1xs2 s LEU 83 CO 0.24 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1xs2 n GLY 84 N 3.78 0.60 3.98 -3.19 0.00 0.80 -4.70 105.19 106.46 1xs2 n GLY 84 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1xs2 n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xs2 s GLN 85 N -0.20 3.25 -0.07 1.61 -1.52 -0.56 -4.88 119.66 117.29 1xs2 s GLN 85 Ca 0.00 -0.84 0.05 0.00 -1.95 0.00 0.00 55.36 52.63 1xs2 s GLN 85 Cb 0.00 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1xs2 s GLN 85 CO 0.00 0.16 -0.24 0.99 -0.25 0.00 0.00 175.29 175.95 1xs2 s THR 86 N -2.15 2.10 0.04 -0.19 2.01 -1.26 -2.40 115.64 113.79 1xs2 s THR 86 Ca 0.41 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.42 1xs2 s THR 86 Cb -0.09 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1xs2 s THR 86 CO 0.31 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.32 1xs2 s PHE 87 N -0.06 1.15 -0.00 4.92 0.40 0.00 -4.94 117.98 119.44 1xs2 s PHE 87 Ca -0.06 -0.35 0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1xs2 s PHE 87 Cb -0.15 -0.68 -0.16 0.00 0.51 0.00 0.00 43.02 42.55 1xs2 s PHE 87 CO 0.05 0.02 1.10 0.00 0.70 0.00 0.00 175.22 177.10 1xs2 h ALA 88 N 4.94 0.55 -2.11 5.36 0.00 -1.95 -0.42 119.26 125.63 1xs2 h ALA 88 Ca -0.37 -0.95 0.20 0.00 0.00 0.00 0.00 54.91 53.78 1xs2 h ALA 88 Cb 1.18 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1xs2 h ALA 88 CO 0.44 1.18 0.57 0.54 0.00 0.00 0.00 179.25 181.97 1xs2 s ASN 89 N -6.40 -0.17 0.39 0.00 6.03 -1.26 -4.82 114.94 108.71 1xs2 s ASN 89 Ca -0.00 -0.28 0.06 0.00 -1.03 0.00 0.00 52.86 51.60 1xs2 s ASN 89 Cb 0.09 0.39 0.78 0.00 -3.03 0.00 0.00 41.25 39.49 1xs2 s ASN 89 CO 0.81 -0.72 2.04 -0.65 -2.03 0.00 0.00 177.10 176.55 1xs2 h PRO 90 N 2.00 0.64 -0.77 3.55 0.11 -1.94 -1.31 132.00 134.29 1xs2 h PRO 90 Ca -0.25 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.87 1xs2 h PRO 90 Cb 1.22 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1xs2 h PRO 90 CO 0.27 0.43 0.47 0.93 -0.21 0.00 0.00 178.00 179.88 1xs2 h GLU 91 N 0.66 0.86 -0.01 1.05 3.07 -1.96 -1.05 114.58 117.21 1xs2 h GLU 91 Ca 0.19 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1xs2 h GLU 91 Cb -0.05 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1xs2 h GLU 91 CO -0.04 0.57 -0.24 0.00 -1.40 0.00 0.00 179.01 177.90 1xs2 h ALA 92 N 1.35 1.58 -0.04 3.43 0.00 -1.65 -1.22 119.26 122.72 1xs2 h ALA 92 Ca 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xs2 h ALA 92 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xs2 h ALA 92 CO -0.15 0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 1xs2 h VAL 93 N 0.02 1.37 -0.56 0.00 2.07 -0.88 -2.85 116.25 115.42 1xs2 h VAL 93 Ca 0.00 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1xs2 h VAL 93 Cb 0.43 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1xs2 h VAL 93 CO 0.03 0.31 0.26 0.28 0.02 0.00 0.00 177.57 178.47 1xs2 h SER 94 N -0.36 0.35 -0.32 0.57 0.02 -0.91 -2.19 113.55 110.71 1xs2 h SER 94 Ca 0.01 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1xs2 h SER 94 Cb 0.51 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1xs2 h SER 94 CO 0.01 0.23 0.22 -0.78 -1.14 0.00 0.00 176.83 175.37 1xs2 h ASP 95 N 0.49 0.10 0.95 3.07 3.58 -1.21 -2.09 116.42 121.32 1xs2 h ASP 95 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1xs2 h ASP 95 Cb 0.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1xs2 h ASP 95 CO -0.21 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.22 1xs2 n ALA 96 N -2.57 2.31 0.42 -0.78 0.00 -0.83 -3.39 120.51 115.67 1xs2 n ALA 96 Ca 0.04 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1xs2 n ALA 96 Cb 0.32 -1.46 0.31 0.00 0.00 0.00 0.00 19.45 18.62 1xs2 n ALA 96 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xs2 h LEU 97 N 0.00 0.00 0.00 0.00 3.38 -1.37 -3.47 115.31 113.85 1xs2 h LEU 97 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xs2 h LEU 97 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xs2 h LEU 97 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1xs2 n GLY 98 N 1.12 -3.56 1.68 0.83 0.00 -1.22 -4.65 105.19 99.39 1xs2 n GLY 98 Ca 0.05 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.05 1xs2 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xs2 n SER 99 N 0.00 5.02 -4.27 1.61 3.41 -1.26 -4.99 113.62 113.15 1xs2 n SER 99 Ca 0.00 -2.59 -0.38 0.00 -0.26 0.00 0.00 58.87 55.64 1xs2 n SER 99 Cb 0.00 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.37 1xs2 n SER 99 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xs2 n TYR 100 N 0.96 -2.70 -3.77 7.33 4.02 -1.26 -4.93 117.16 116.81 1xs2 n TYR 100 Ca 0.26 0.34 -0.35 0.00 -0.01 0.00 0.00 57.90 58.14 1xs2 n TYR 100 Cb 0.98 -1.71 -0.05 0.00 -0.02 0.00 0.00 39.34 38.54 1xs2 n TYR 100 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs2 s ARG 101 N -1.67 3.57 4.11 -0.72 0.52 -1.26 -4.97 118.95 118.53 1xs2 s ARG 101 Ca 0.57 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1xs2 s ARG 101 Cb -0.40 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 31.97 1xs2 s ARG 101 CO 0.67 0.67 0.00 0.41 0.02 0.00 0.00 175.30 177.07 1xs2 n GLY 102 N 1.27 1.83 3.75 -3.53 0.00 -1.26 -4.89 105.19 102.35 1xs2 n GLY 102 Ca -0.13 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1xs2 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xs2 n ASN 103 N -1.41 -1.33 0.06 1.61 4.13 -1.26 -4.89 115.26 112.17 1xs2 n ASN 103 Ca 0.00 -0.84 -0.09 0.00 1.68 0.00 0.00 54.58 55.33 1xs2 n ASN 103 Cb 0.00 -3.92 0.03 0.00 -1.54 0.00 0.00 39.78 34.35 1xs2 n ASN 103 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1xs2 h ARG 104 N -1.88 0.35 -0.54 3.52 3.08 -1.88 -2.17 114.38 114.86 1xs2 h ARG 104 Ca -0.61 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.07 1xs2 h ARG 104 Cb 1.36 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 1xs2 h ARG 104 CO 0.58 0.95 0.07 0.52 -1.07 0.00 0.00 179.97 181.02 1xs2 h MET 105 N 0.23 0.88 -0.07 0.04 2.86 -1.83 0.10 114.93 117.14 1xs2 h MET 105 Ca -0.03 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1xs2 h MET 105 Cb 1.33 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1xs2 h MET 105 CO 0.13 0.83 0.04 0.00 1.06 0.00 0.00 176.91 178.97 1xs2 h ALA 106 N 1.24 0.10 -0.63 6.32 0.00 -1.86 -2.55 119.26 121.87 1xs2 h ALA 106 Ca 0.17 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xs2 h ALA 106 Cb 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xs2 h ALA 106 CO 0.01 -0.37 0.42 0.00 0.00 0.00 0.00 179.25 179.31 1xs2 h ARG 107 N 0.03 0.77 -0.19 0.00 3.08 -1.02 -2.47 114.38 114.59 1xs2 h ARG 107 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1xs2 h ARG 107 Cb 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1xs2 h ARG 107 CO -0.00 0.51 -0.18 0.00 -1.07 0.00 0.00 179.97 179.23 1xs2 h ALA 108 N 1.62 1.36 -0.47 0.04 0.00 -0.47 -0.29 119.26 121.06 1xs2 h ALA 108 Ca 0.24 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xs2 h ALA 108 Cb -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xs2 h ALA 108 CO -0.06 0.44 0.26 0.52 0.00 0.00 0.00 179.25 180.40 1xs2 h MET 109 N 0.29 0.50 -0.04 0.00 2.86 -1.05 0.52 114.93 118.01 1xs2 h MET 109 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1xs2 h MET 109 Cb 0.48 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1xs2 h MET 109 CO 0.03 0.33 -0.01 0.28 1.06 0.00 0.00 176.91 178.60 1xs2 h VAL 110 N 0.51 1.28 -0.68 -2.22 2.07 -1.47 -2.57 116.25 113.18 1xs2 h VAL 110 Ca 0.19 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1xs2 h VAL 110 Cb 0.06 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xs2 h VAL 110 CO -0.11 0.23 0.12 -0.08 0.02 0.00 0.00 177.57 177.75 1xs2 h GLU 111 N -0.26 1.13 0.04 1.57 4.22 -0.86 -1.07 114.58 119.36 1xs2 h GLU 111 Ca 0.01 -0.30 -0.27 0.00 0.08 0.00 0.00 59.36 58.89 1xs2 h GLU 111 Cb 0.38 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.51 1xs2 h GLU 111 CO 0.00 1.03 -1.09 0.52 -2.18 0.00 0.00 179.01 177.29 1xs2 h MET 112 N 1.06 0.58 -0.72 1.92 2.86 -0.96 -0.80 114.93 118.87 1xs2 h MET 112 Ca 0.21 -0.68 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 1xs2 h MET 112 Cb 0.44 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1xs2 h MET 112 CO 0.01 1.28 0.27 0.00 1.06 0.00 0.00 176.91 179.53 1xs2 h ALA 113 N 0.47 1.12 -0.89 6.32 0.00 -1.37 -0.98 119.26 123.94 1xs2 h ALA 113 Ca -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xs2 h ALA 113 Cb 1.74 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1xs2 h ALA 113 CO 0.20 0.62 0.49 0.00 0.00 0.00 0.00 179.25 180.56 1xs2 h ALA 114 N 1.25 1.14 -0.68 0.00 0.00 -0.95 -0.18 119.26 119.83 1xs2 h ALA 114 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xs2 h ALA 114 Cb 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xs2 h ALA 114 CO -0.02 0.65 0.39 -1.49 0.00 0.00 0.00 179.25 178.78 1xs2 h TRP 115 N 1.24 0.92 -0.67 0.00 4.06 -0.54 -1.05 115.95 119.91 1xs2 h TRP 115 Ca 0.31 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.22 1xs2 h TRP 115 Cb 0.03 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 27.86 1xs2 h TRP 115 CO 0.01 0.64 0.29 0.22 -3.56 0.00 0.00 178.44 176.04 1xs2 h ASP 116 N 0.93 0.90 -0.17 -3.49 3.58 -0.45 -0.81 116.42 116.92 1xs2 h ASP 116 Ca 0.24 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1xs2 h ASP 116 Cb 0.01 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 1xs2 h ASP 116 CO -0.04 0.81 -0.12 0.25 -2.88 0.00 0.00 179.24 177.26 1xs2 h LEU 117 N 0.94 0.39 -0.34 2.28 5.85 -0.81 -1.45 115.31 122.17 1xs2 h LEU 117 Ca 0.23 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1xs2 h LEU 117 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1xs2 h LEU 117 CO -0.02 0.75 0.18 -0.25 -0.34 0.00 0.00 178.44 178.76 1xs2 h TRP 118 N 0.03 0.33 -0.33 1.25 -0.00 -1.04 -0.25 115.95 115.94 1xs2 h TRP 118 Ca 0.03 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.90 1xs2 h TRP 118 Cb 0.62 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.66 1xs2 h TRP 118 CO 0.07 0.19 0.03 0.00 -0.00 0.00 0.00 178.44 178.73 1xs2 h ALA 119 N 1.16 1.45 0.00 2.65 0.00 -1.07 -2.63 119.26 120.82 1xs2 h ALA 119 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1xs2 h ALA 119 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xs2 h ALA 119 CO -0.08 0.40 -0.34 0.00 0.00 0.00 0.00 179.25 179.22 1xs2 h ARG 120 N 0.48 0.00 0.00 0.00 3.08 -0.12 -1.09 114.38 116.73 1xs2 h ARG 120 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1xs2 h ARG 120 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xs2 h ARG 120 CO 0.00 0.34 -0.43 1.79 -1.07 0.00 0.00 179.97 180.60 1xs2 h THR 121 N 0.00 1.11 0.00 2.04 1.35 -0.74 -3.12 112.91 113.55 1xs2 h THR 121 Ca -0.00 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1xs2 h THR 121 Cb 1.17 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1xs2 h THR 121 CO 0.04 0.43 -0.87 0.18 -0.25 0.00 0.00 175.52 175.05 1xs2 n LEU 122 N -3.73 0.63 -0.91 3.87 4.77 -1.02 -4.98 117.00 115.63 1xs2 n LEU 122 Ca -0.01 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 1xs2 n LEU 122 Cb 0.50 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1xs2 n LEU 122 CO 0.38 0.03 -0.09 0.61 -1.33 0.00 0.00 177.39 177.00 1xs2 n GLY 123 N 1.38 0.07 3.27 -0.72 0.00 -0.50 -5.04 105.19 103.64 1xs2 n GLY 123 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1xs2 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs2 s VAL 124 N -2.41 1.94 0.36 1.61 1.01 -0.70 -4.74 120.40 117.46 1xs2 s VAL 124 Ca 0.01 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 1xs2 s VAL 124 Cb -0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 36.38 34.63 1xs2 s VAL 124 CO 0.01 0.54 1.07 -2.65 0.00 0.00 0.00 175.10 174.08 1xs2 n PRO 125 N 2.71 1.53 -0.06 2.72 -0.02 -1.25 -1.32 135.00 139.30 1xs2 n PRO 125 Ca -0.17 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1xs2 n PRO 125 Cb 0.52 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1xs2 n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xs2 h LEU 126 N 1.90 0.29 -1.42 2.45 5.85 -1.39 -2.69 115.31 120.30 1xs2 h LEU 126 Ca -0.43 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1xs2 h LEU 126 Cb 1.33 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1xs2 h LEU 126 CO 0.59 0.29 0.41 1.23 -0.34 0.00 0.00 178.44 180.63 1xs2 h GLY 127 N 0.27 0.85 1.01 3.75 0.00 -1.83 -2.16 103.07 104.96 1xs2 h GLY 127 Ca 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1xs2 h GLY 127 CO -0.01 0.27 0.30 -0.84 0.00 0.00 0.00 176.54 176.25 1xs2 h THR 128 N 0.76 1.23 0.00 4.70 2.02 -1.65 -1.14 112.91 118.83 1xs2 h THR 128 Ca 0.24 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1xs2 h THR 128 Cb 0.03 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1xs2 h THR 128 CO -0.06 0.28 -0.18 -0.07 0.37 0.00 0.00 175.52 175.85 1xs2 h LEU 129 N 0.92 0.00 0.00 2.58 3.38 -1.28 -2.58 115.31 118.34 1xs2 h LEU 129 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xs2 h LEU 129 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xs2 h LEU 129 CO -0.02 0.18 -0.29 0.18 0.09 0.00 0.00 178.44 178.57 1xs2 n LEU 130 N -3.61 0.45 0.00 1.67 4.77 -0.69 -4.93 117.00 114.65 1xs2 n LEU 130 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1xs2 n LEU 130 Cb 0.31 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xs2 n LEU 130 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xs2 n GLY 131 N 1.43 0.89 3.81 -0.72 0.00 -0.62 -5.02 105.19 104.97 1xs2 n GLY 131 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xs2 n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xs2 s GLY 132 N -1.14 2.42 -0.01 -0.02 0.00 -0.53 -4.88 107.32 103.15 1xs2 s GLY 132 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1xs2 s GLY 132 CO 0.00 0.73 0.92 -2.39 0.00 0.00 0.00 173.10 172.36 1xs2 n HIS 133 N -0.70 0.00 -2.36 1.90 1.44 -1.25 -4.21 115.22 110.05 1xs2 n HIS 133 Ca 0.07 -0.08 -0.36 0.00 -2.01 0.00 0.00 57.72 55.34 1xs2 n HIS 133 Cb 0.54 -0.05 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 1xs2 n HIS 133 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1xs2 s LYS 134 N -0.23 3.84 0.00 -1.40 1.02 -1.25 -4.96 119.74 116.75 1xs2 s LYS 134 Ca 0.02 1.66 0.12 0.00 0.02 0.00 0.00 55.97 57.80 1xs2 s LYS 134 Cb 0.02 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1xs2 s LYS 134 CO 0.00 -0.45 0.68 0.39 -0.92 0.00 0.00 175.35 175.05 1xs2 n GLU 135 N -0.47 2.12 -3.69 1.68 1.02 -1.26 -4.92 120.64 115.13 1xs2 n GLU 135 Ca 0.07 -0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 56.53 1xs2 n GLU 135 Cb 0.49 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 1xs2 n GLU 135 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1xs2 s GLN 136 N -1.67 0.92 0.08 3.49 -2.07 -1.26 -2.03 119.66 117.11 1xs2 s GLN 136 Ca 0.09 -0.48 0.06 0.00 -1.82 0.00 0.00 55.36 53.22 1xs2 s GLN 136 Cb 0.10 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.39 1xs2 s GLN 136 CO 0.34 -0.32 -0.17 0.14 -1.32 0.00 0.00 175.29 173.97 1xs2 s VAL 137 N -2.78 1.35 0.28 3.63 -7.23 -0.53 -4.93 120.40 110.20 1xs2 s VAL 137 Ca -0.03 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1xs2 s VAL 137 Cb -0.00 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 1xs2 s VAL 137 CO -0.05 -0.13 0.85 -1.61 -0.31 0.00 0.00 175.10 173.85 1xs2 s GLU 138 N -1.73 4.42 0.04 4.82 2.02 -1.26 -0.93 118.70 126.08 1xs2 s GLU 138 Ca 0.02 1.12 0.02 0.00 0.02 0.00 0.00 54.97 56.14 1xs2 s GLU 138 Cb -0.10 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1xs2 s GLU 138 CO 0.03 0.32 -0.07 0.14 0.02 0.00 0.00 175.26 175.70 1xs2 s VAL 139 N -1.60 0.45 0.00 2.63 -7.23 -0.48 -1.79 120.40 112.38 1xs2 s VAL 139 Ca 0.48 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1xs2 s VAL 139 Cb -0.17 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.24 1xs2 s VAL 139 CO 0.22 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 1xs2 n GLY 140 N 1.55 6.90 3.30 2.32 0.00 -0.43 -1.50 105.19 117.34 1xs2 n GLY 140 Ca -0.23 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 1xs2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xs2 s VAL 141 N 0.33 0.02 -0.20 1.61 0.11 -0.70 -4.46 120.40 117.10 1xs2 s VAL 141 Ca 0.00 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1xs2 s VAL 141 Cb 0.00 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1xs2 s VAL 141 CO 0.00 -0.09 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.20 1xs2 s SER 142 N -0.44 4.48 -0.11 3.54 0.01 -1.26 -0.91 113.70 119.00 1xs2 s SER 142 Ca -0.06 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 1xs2 s SER 142 Cb -0.03 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1xs2 s SER 142 CO 0.03 0.04 -0.01 -0.76 0.41 0.00 0.00 173.24 172.94 1xs2 s LEU 143 N 1.14 3.47 0.00 2.44 1.43 0.64 -4.97 118.68 122.83 1xs2 s LEU 143 Ca 0.02 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1xs2 s LEU 143 Cb -0.15 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.34 1xs2 s LEU 143 CO -0.00 0.30 0.24 0.61 0.23 0.00 0.00 176.35 177.73 1xs2 n GLY 144 N 2.66 -2.74 3.69 -3.19 0.00 -1.26 -1.32 105.19 103.02 1xs2 n GLY 144 Ca -0.18 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1xs2 n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xs2 s ILE 145 N -1.42 4.68 0.65 -0.61 1.01 -1.26 -4.41 121.20 119.83 1xs2 s ILE 145 Ca 0.16 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.76 1xs2 s ILE 145 Cb -0.02 -4.25 0.09 0.00 0.01 0.00 0.00 42.46 38.29 1xs2 s ILE 145 CO 0.13 0.02 0.91 -1.10 0.00 0.00 0.00 174.94 174.89 1xs2 s GLN 146 N 1.97 2.03 0.13 2.79 -1.52 -1.26 -5.02 119.66 118.77 1xs2 s GLN 146 Ca 0.50 -0.98 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1xs2 s GLN 146 Cb -0.20 -2.39 -0.14 0.00 -0.22 0.00 0.00 33.01 30.05 1xs2 s GLN 146 CO 0.20 -1.15 1.28 0.00 -0.25 0.00 0.00 175.29 175.37 1xs2 h ALA 147 N -0.29 0.35 -2.98 6.09 0.00 -1.96 -3.48 119.26 117.00 1xs2 h ALA 147 Ca -0.38 -0.83 0.03 0.00 0.00 0.00 0.00 54.91 53.73 1xs2 h ALA 147 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xs2 h ALA 147 CO 0.45 1.04 0.26 0.16 0.00 0.00 0.00 179.25 181.16 1xs2 s ASP 148 N -6.92 -0.12 0.64 0.00 1.47 -1.26 -5.04 116.67 105.44 1xs2 s ASP 148 Ca -0.02 -0.88 0.33 0.00 1.18 0.00 0.00 52.55 53.16 1xs2 s ASP 148 Cb 0.09 0.78 1.79 0.00 -0.34 0.00 0.00 42.92 45.25 1xs2 s ASP 148 CO 0.84 -1.51 2.00 -0.33 0.68 0.00 0.00 175.17 176.85 1xs2 h GLU 149 N 2.00 0.00 0.03 2.11 5.08 -1.93 -2.17 114.58 119.70 1xs2 h GLU 149 Ca -0.26 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.72 1xs2 h GLU 149 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1xs2 h GLU 149 CO 0.32 0.00 -2.26 0.94 -1.00 0.00 0.00 179.01 177.01 1xs2 n GLN 150 N -2.88 0.66 -0.32 2.33 -0.06 -1.26 -3.50 117.38 112.35 1xs2 n GLN 150 Ca -0.02 0.24 -0.02 0.00 -2.00 0.00 0.00 57.00 55.20 1xs2 n GLN 150 Cb 0.28 -1.58 0.15 0.00 -4.06 0.00 0.00 30.24 25.03 1xs2 n GLN 150 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xs2 h ALA 151 N -0.22 1.31 0.13 1.69 0.00 -1.90 0.19 119.26 120.45 1xs2 h ALA 151 Ca -0.55 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1xs2 h ALA 151 Cb 1.82 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1xs2 h ALA 151 CO -0.12 0.62 -0.38 1.15 0.00 0.00 0.00 179.25 180.52 1xs2 h THR 152 N 1.24 0.22 -0.55 0.00 2.02 -1.59 -1.39 112.91 112.86 1xs2 h THR 152 Ca 0.33 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 1xs2 h THR 152 Cb -0.10 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1xs2 h THR 152 CO -0.07 0.00 0.32 0.58 0.37 0.00 0.00 175.52 176.72 1xs2 h VAL 153 N -0.62 1.16 -0.23 3.16 2.07 -1.34 -1.23 116.25 119.23 1xs2 h VAL 153 Ca 0.02 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1xs2 h VAL 153 Cb 0.64 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1xs2 h VAL 153 CO -0.21 0.17 0.04 0.44 0.02 0.00 0.00 177.57 178.03 1xs2 h ASP 154 N 0.76 0.36 -0.73 0.57 3.32 -0.47 -1.46 116.42 118.77 1xs2 h ASP 154 Ca 0.20 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1xs2 h ASP 154 Cb -0.01 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1xs2 h ASP 154 CO -0.04 0.52 0.39 0.25 -1.72 0.00 0.00 179.24 178.64 1xs2 h LEU 155 N 0.19 0.93 -0.69 1.55 5.85 -0.43 -2.05 115.31 120.65 1xs2 h LEU 155 Ca 0.07 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1xs2 h LEU 155 Cb 0.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1xs2 h LEU 155 CO 0.00 0.76 0.15 0.58 -0.34 0.00 0.00 178.44 179.59 1xs2 h VAL 156 N 1.04 1.26 -0.16 1.05 2.07 -1.09 -2.89 116.25 117.53 1xs2 h VAL 156 Ca 0.26 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xs2 h VAL 156 Cb 0.05 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1xs2 h VAL 156 CO -0.04 0.38 0.01 -0.09 0.02 0.00 0.00 177.57 177.85 1xs2 h ARG 157 N 1.05 0.07 -0.71 1.57 2.43 -0.70 0.17 114.38 118.27 1xs2 h ARG 157 Ca 0.22 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.51 1xs2 h ARG 157 Cb 0.40 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.80 1xs2 h ARG 157 CO 0.01 0.05 -0.31 0.00 -1.51 0.00 0.00 179.97 178.21 1xs2 h ARG 158 N 0.07 -0.09 0.03 0.20 -0.00 -1.20 -1.18 114.38 112.21 1xs2 h ARG 158 Ca 0.07 0.01 -0.23 0.00 -0.50 0.00 0.00 59.98 59.33 1xs2 h ARG 158 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.07 1xs2 h ARG 158 CO -0.11 -0.06 -1.01 0.45 0.00 0.00 0.00 179.97 179.24 1xs2 h HIS 159 N -0.09 0.53 -0.11 3.04 3.86 -1.19 -2.95 115.15 118.24 1xs2 h HIS 159 Ca 0.29 -0.31 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1xs2 h HIS 159 Cb 0.56 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1xs2 h HIS 159 CO -0.67 1.15 -0.22 0.28 0.86 0.00 0.00 177.93 179.33 1xs2 h VAL 160 N 0.17 1.21 0.00 2.45 2.07 -0.31 -1.74 116.25 120.09 1xs2 h VAL 160 Ca -0.09 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1xs2 h VAL 160 Cb 1.66 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1xs2 h VAL 160 CO 0.17 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.43 1xs2 n GLU 161 N -4.20 0.16 0.00 1.57 1.02 -0.48 -1.75 120.64 116.95 1xs2 n GLU 161 Ca -0.01 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1xs2 n GLU 161 Cb 0.33 -1.71 0.56 0.00 -0.02 0.00 0.00 31.44 30.60 1xs2 n GLU 161 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xs2 n GLN 162 N -1.99 1.38 -1.00 3.49 1.13 -0.67 -4.96 117.38 114.76 1xs2 n GLN 162 Ca 0.05 -0.71 -0.00 0.00 -1.94 0.00 0.00 57.00 54.39 1xs2 n GLN 162 Cb 0.34 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.21 1xs2 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xs2 n GLY 163 N 1.19 0.47 3.68 1.08 0.00 -0.72 -3.48 105.19 107.41 1xs2 n GLY 163 Ca 0.18 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1xs2 n GLY 163 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xs2 n TYR 164 N -2.96 1.87 0.96 1.61 4.02 -1.18 -2.75 117.16 118.73 1xs2 n TYR 164 Ca -0.00 0.51 0.11 0.00 -0.01 0.00 0.00 57.90 58.51 1xs2 n TYR 164 Cb 0.02 -2.33 0.04 0.00 -0.02 0.00 0.00 39.34 37.05 1xs2 n TYR 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xs2 n ARG 165 N 0.01 1.72 -3.76 -0.72 1.74 -0.56 -4.79 116.66 110.29 1xs2 n ARG 165 Ca 0.08 -1.41 -0.13 0.00 -0.77 0.00 0.00 57.85 55.62 1xs2 n ARG 165 Cb 0.40 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 1xs2 n ARG 165 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs2 s ARG 166 N -2.17 0.43 -0.14 5.56 3.00 -1.26 -4.44 118.95 119.93 1xs2 s ARG 166 Ca 0.22 0.32 -0.01 0.00 -1.00 0.00 0.00 55.73 55.26 1xs2 s ARG 166 Cb 0.18 0.20 -0.02 0.00 0.00 0.00 0.00 34.95 35.32 1xs2 s ARG 166 CO 0.42 -0.07 -0.11 0.42 0.00 0.00 0.00 175.30 175.97 1xs2 s ILE 167 N -0.11 3.27 -0.23 4.11 -1.09 -0.63 -1.73 121.20 124.79 1xs2 s ILE 167 Ca -0.03 -0.58 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1xs2 s ILE 167 Cb -0.03 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1xs2 s ILE 167 CO 0.01 0.52 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.43 1xs2 s LYS 168 N 0.36 3.11 -0.15 2.79 2.20 -0.09 -0.60 119.74 127.36 1xs2 s LYS 168 Ca -0.09 -0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 54.60 1xs2 s LYS 168 Cb -0.15 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1xs2 s LYS 168 CO 0.05 -0.29 0.25 -0.51 -0.36 0.00 0.00 175.35 174.49 1xs2 s LEU 169 N 1.40 4.28 0.41 5.43 1.43 -0.34 -0.26 118.68 131.04 1xs2 s LEU 169 Ca 0.03 0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 1xs2 s LEU 169 Cb -0.15 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1xs2 s LEU 169 CO -0.05 0.18 1.09 -0.75 0.23 0.00 0.00 176.35 177.06 1xs2 s LYS 170 N 0.08 4.05 0.26 1.70 2.20 -0.44 -1.03 119.74 126.55 1xs2 s LYS 170 Ca 0.15 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.39 1xs2 s LYS 170 Cb -0.13 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1xs2 s LYS 170 CO 0.04 -0.26 0.12 0.96 -0.36 0.00 0.00 175.35 175.84 1xs2 s ILE 171 N -1.60 0.39 0.18 5.43 -4.36 -0.79 -4.63 121.20 115.82 1xs2 s ILE 171 Ca 0.59 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 1xs2 s ILE 171 Cb -0.25 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 40.92 1xs2 s ILE 171 CO 0.31 0.00 0.52 -1.59 0.24 0.00 0.00 174.94 174.41 1xs2 s LYS 172 N -4.00 1.33 0.04 0.37 -2.85 -0.80 -4.63 119.74 109.20 1xs2 s LYS 172 Ca 0.38 -0.80 -0.35 0.00 -1.00 0.00 0.00 55.97 54.19 1xs2 s LYS 172 Cb 0.07 0.52 -0.14 0.00 -2.06 0.00 0.00 37.83 36.22 1xs2 s LYS 172 CO 0.14 -0.56 1.64 -2.30 0.10 0.00 0.00 175.35 174.37 1xs2 n PRO 173 N -0.33 1.91 0.00 1.78 -0.02 -1.26 -1.33 135.00 135.75 1xs2 n PRO 173 Ca -0.12 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1xs2 n PRO 173 Cb 0.63 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1xs2 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs2 n GLY 174 N 3.63 2.90 3.05 -1.23 0.00 -1.26 -4.94 105.19 107.34 1xs2 n GLY 174 Ca 0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1xs2 n GLY 174 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs2 s TRP 175 N -0.24 3.55 0.30 1.61 -0.00 -0.44 -4.83 118.94 118.88 1xs2 s TRP 175 Ca 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 56.10 53.13 1xs2 s TRP 175 Cb 0.00 -3.09 0.00 0.00 -0.00 0.00 0.00 33.47 30.38 1xs2 s TRP 175 CO 0.00 -0.75 0.00 -0.40 -0.00 0.00 0.00 176.95 175.80 1xs2 n ASP 176 N 2.83 -1.37 0.10 5.86 5.68 -1.24 -1.90 116.55 126.52 1xs2 n ASP 176 Ca 0.14 0.54 0.04 0.00 -0.50 0.00 0.00 54.79 55.00 1xs2 n ASP 176 Cb 0.36 1.43 0.44 0.00 -1.14 0.00 0.00 41.12 42.21 1xs2 n ASP 176 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1xs2 h VAL 177 N 0.00 1.12 0.28 2.12 2.07 -1.90 -2.96 116.25 116.99 1xs2 h VAL 177 Ca 0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1xs2 h VAL 177 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1xs2 h VAL 177 CO 0.00 0.16 -0.14 1.56 0.02 0.00 0.00 177.57 179.17 1xs2 h GLN 178 N 0.31 -0.37 -0.68 1.57 7.50 -1.91 0.63 115.11 122.16 1xs2 h GLN 178 Ca 0.07 0.03 0.12 0.00 0.50 0.00 0.00 58.65 59.37 1xs2 h GLN 178 Cb 0.16 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.73 1xs2 h GLN 178 CO 0.00 -0.17 0.45 -1.00 -1.50 0.00 0.00 178.83 176.61 1xs2 h PRO 179 N -1.07 0.44 -0.12 1.46 0.13 -1.91 0.28 132.00 131.20 1xs2 h PRO 179 Ca -0.04 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1xs2 h PRO 179 Cb 0.36 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1xs2 h PRO 179 CO 0.06 0.29 -0.25 0.28 -0.23 0.00 0.00 178.00 178.15 1xs2 h VAL 180 N 0.45 1.38 -0.36 1.56 2.07 -1.41 -1.07 116.25 118.87 1xs2 h VAL 180 Ca 0.32 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1xs2 h VAL 180 Cb 0.65 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1xs2 h VAL 180 CO -0.10 0.45 0.23 -0.09 0.02 0.00 0.00 177.57 178.08 1xs2 h ARG 181 N -0.04 0.48 0.07 1.57 2.43 0.10 -0.13 114.38 118.86 1xs2 h ARG 181 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xs2 h ARG 181 Cb 0.84 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1xs2 h ARG 181 CO 0.06 0.34 -0.03 0.00 -1.51 0.00 0.00 179.97 178.82 1xs2 h ALA 182 N 1.11 -0.09 -0.54 2.80 0.00 -1.00 -1.49 119.26 120.04 1xs2 h ALA 182 Ca 0.13 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xs2 h ALA 182 Cb -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1xs2 h ALA 182 CO -0.03 -0.34 0.06 1.15 0.00 0.00 0.00 179.25 180.09 1xs2 h THR 183 N -0.50 0.62 -0.49 0.00 2.02 -1.16 -2.10 112.91 111.29 1xs2 h THR 183 Ca -0.01 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1xs2 h THR 183 Cb 0.44 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1xs2 h THR 183 CO 0.01 0.03 0.12 -0.09 0.37 0.00 0.00 175.52 175.97 1xs2 h ARG 184 N 0.18 0.79 0.04 6.66 9.65 -0.91 -1.35 114.38 129.43 1xs2 h ARG 184 Ca 0.28 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1xs2 h ARG 184 Cb 0.42 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.85 1xs2 h ARG 184 CO -0.41 0.76 -0.41 0.93 2.80 0.00 0.00 179.97 183.64 1xs2 h GLU 185 N 0.67 -0.57 -0.21 0.20 5.08 -0.64 -2.26 114.58 116.86 1xs2 h GLU 185 Ca 0.15 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1xs2 h GLU 185 Cb 0.33 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1xs2 h GLU 185 CO 0.00 -0.38 -0.21 0.00 -1.00 0.00 0.00 179.01 177.42 1xs2 h ALA 186 N -0.06 -0.10 -3.42 3.43 0.00 -1.35 -3.37 119.26 114.40 1xs2 h ALA 186 Ca 0.04 0.07 -0.65 0.00 0.00 0.00 0.00 54.91 54.37 1xs2 h ALA 186 Cb 0.65 0.43 -0.40 0.00 0.00 0.00 0.00 17.79 18.47 1xs2 h ALA 186 CO -0.29 -0.64 -0.62 -0.06 0.00 0.00 0.00 179.25 177.64 1xs2 s PHE 187 N -6.11 3.32 -1.78 0.00 0.40 -0.52 -4.96 117.98 108.34 1xs2 s PHE 187 Ca -0.15 -3.10 0.31 0.00 -0.60 0.00 0.00 56.93 53.40 1xs2 s PHE 187 Cb 0.12 -2.88 1.71 0.00 0.51 0.00 0.00 43.02 42.47 1xs2 s PHE 187 CO 0.68 -0.79 2.13 -0.35 0.70 0.00 0.00 175.22 177.59 1xs2 n PRO 188 N 3.37 0.79 0.00 0.24 -0.04 -0.89 -3.89 135.00 134.58 1xs2 n PRO 188 Ca 0.05 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1xs2 n PRO 188 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1xs2 n PRO 188 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xs2 n ASP 189 N -1.07 1.54 -4.75 3.54 9.92 -1.26 -5.05 116.55 119.41 1xs2 n ASP 189 Ca 0.20 -0.34 -0.31 0.00 -0.53 0.00 0.00 54.79 53.81 1xs2 n ASP 189 Cb 0.18 0.98 0.11 0.00 -0.64 0.00 0.00 41.12 41.74 1xs2 n ASP 189 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1xs2 s ILE 190 N -1.29 3.09 -0.42 0.53 -4.36 -1.25 -4.97 121.20 112.54 1xs2 s ILE 190 Ca 0.00 0.35 -0.25 0.00 -0.26 0.00 0.00 60.65 60.50 1xs2 s ILE 190 Cb 0.00 -2.83 0.02 0.00 1.25 0.00 0.00 42.46 40.90 1xs2 s ILE 190 CO 0.00 -0.46 0.87 -0.60 0.24 0.00 0.00 174.94 174.99 1xs2 s ARG 191 N -4.91 3.63 -0.09 0.37 3.52 -1.26 -5.03 118.95 115.18 1xs2 s ARG 191 Ca 0.62 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 56.49 1xs2 s ARG 191 Cb -0.18 -3.87 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 1xs2 s ARG 191 CO 0.56 -1.06 -0.17 -1.17 -0.81 0.00 0.00 175.30 172.65 1xs2 s LEU 192 N 3.47 2.50 0.18 -0.88 2.96 -1.26 -1.60 118.68 124.05 1xs2 s LEU 192 Ca 0.35 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1xs2 s LEU 192 Cb -0.11 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1xs2 s LEU 192 CO 0.22 0.22 -0.05 0.42 -1.32 0.00 0.00 176.35 175.84 1xs2 s THR 193 N 0.02 1.07 0.13 3.68 -4.23 0.23 -2.15 115.64 114.38 1xs2 s THR 193 Ca -0.06 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1xs2 s THR 193 Cb -0.15 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1xs2 s THR 193 CO 0.05 -0.55 -0.21 0.68 -0.54 0.00 0.00 174.62 174.05 1xs2 s VAL 194 N -3.39 1.83 -0.44 2.29 -7.23 -1.15 -1.20 120.40 111.11 1xs2 s VAL 194 Ca 0.22 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1xs2 s VAL 194 Cb 0.04 -1.71 0.10 0.00 0.56 0.00 0.00 36.38 35.37 1xs2 s VAL 194 CO 0.04 -0.11 0.30 -0.62 -0.31 0.00 0.00 175.10 174.40 1xs2 s ASP 195 N -2.16 5.66 0.00 4.85 3.68 -0.20 -1.22 116.67 127.28 1xs2 s ASP 195 Ca 0.10 -1.70 0.18 0.00 2.13 0.00 0.00 52.55 53.27 1xs2 s ASP 195 Cb -0.09 -2.00 0.82 0.00 -1.45 0.00 0.00 42.92 40.20 1xs2 s ASP 195 CO 0.05 -0.61 1.55 0.00 0.13 0.00 0.00 175.17 176.30 1xs2 n ALA 196 N 4.91 1.87 -1.95 3.66 0.00 -0.74 -1.89 120.51 126.37 1xs2 n ALA 196 Ca -0.09 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1xs2 n ALA 196 Cb 0.42 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1xs2 n ALA 196 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xs2 n ASN 197 N -1.41 -5.69 -3.60 0.00 5.15 -1.22 -2.54 115.26 105.95 1xs2 n ASN 197 Ca 0.06 0.28 -0.26 0.00 -0.60 0.00 0.00 54.58 54.06 1xs2 n ASN 197 Cb 0.18 -4.89 0.04 0.00 -0.53 0.00 0.00 39.78 34.58 1xs2 n ASN 197 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xs2 n SER 198 N -1.64 -5.40 -0.49 1.20 7.64 0.35 -4.87 113.62 110.41 1xs2 n SER 198 Ca -0.23 -0.58 0.07 0.00 1.01 0.00 0.00 58.87 59.15 1xs2 n SER 198 Cb 0.69 -4.31 0.17 0.00 -1.01 0.00 0.00 64.21 59.75 1xs2 n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xs2 n ALA 199 N -4.44 2.49 -2.44 -0.43 0.00 -1.05 -4.67 120.51 109.97 1xs2 n ALA 199 Ca -0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 53.44 51.26 1xs2 n ALA 199 Cb 0.55 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 1xs2 n ALA 199 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xs2 s TYR 200 N -2.21 1.87 0.27 0.00 1.51 -0.63 -4.51 117.35 113.66 1xs2 s TYR 200 Ca 0.29 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1xs2 s TYR 200 Cb 0.23 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1xs2 s TYR 200 CO 0.07 -0.09 0.15 0.95 -1.11 0.00 0.00 175.55 175.53 1xs2 s THR 201 N -3.36 0.24 0.58 -0.71 -4.23 -1.26 -4.40 115.64 102.50 1xs2 s THR 201 Ca 0.35 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 1xs2 s THR 201 Cb 0.08 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.74 1xs2 s THR 201 CO 0.15 0.00 2.19 -0.07 -0.54 0.00 0.00 174.62 176.35 1xs2 h LEU 202 N 2.35 0.00 -1.47 4.79 3.38 -1.98 0.27 115.31 122.65 1xs2 h LEU 202 Ca -0.34 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.77 1xs2 h LEU 202 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1xs2 h LEU 202 CO 0.52 0.00 0.52 0.00 0.09 0.00 0.00 178.44 179.57 1xs2 h ALA 203 N 1.91 1.98 -0.19 1.53 0.00 -2.03 -2.19 119.26 120.27 1xs2 h ALA 203 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xs2 h ALA 203 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xs2 h ALA 203 CO -0.00 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 1xs2 n ASP 204 N -4.50 1.10 -0.28 0.00 8.00 0.94 -4.40 116.55 117.41 1xs2 n ASP 204 Ca 0.15 -2.02 0.08 0.00 0.71 0.00 0.00 54.79 53.70 1xs2 n ASP 204 Cb 0.47 -0.16 0.22 0.00 -0.02 0.00 0.00 41.12 41.64 1xs2 n ASP 204 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs2 h ALA 205 N 3.28 1.18 -0.56 2.24 0.00 -1.49 -0.53 119.26 123.38 1xs2 h ALA 205 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xs2 h ALA 205 Cb 0.30 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xs2 h ALA 205 CO 0.01 -0.24 -0.05 0.78 0.00 0.00 0.00 179.25 179.75 1xs2 h GLY 206 N 0.44 1.10 1.36 0.00 0.00 -1.85 0.26 103.07 104.39 1xs2 h GLY 206 Ca 0.46 -0.85 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1xs2 h GLY 206 CO -0.44 0.78 -0.25 3.21 0.00 0.00 0.00 176.54 179.84 1xs2 h ARG 207 N 0.90 0.73 -0.21 4.80 3.08 -1.57 -3.07 114.38 119.03 1xs2 h ARG 207 Ca 0.15 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.74 1xs2 h ARG 207 Cb 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1xs2 h ARG 207 CO 0.04 0.90 -0.53 -0.07 -1.07 0.00 0.00 179.97 179.25 1xs2 h LEU 208 N 0.63 0.67 -2.08 3.04 3.38 -0.78 -3.03 115.31 117.15 1xs2 h LEU 208 Ca 0.08 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1xs2 h LEU 208 Cb 0.75 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xs2 h LEU 208 CO 0.06 1.07 -0.08 -0.09 0.09 0.00 0.00 178.44 179.49 1xs2 h ARG 209 N 0.47 0.00 0.00 1.13 2.43 -0.86 -0.90 114.38 116.65 1xs2 h ARG 209 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xs2 h ARG 209 Cb 1.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1xs2 h ARG 209 CO 0.10 0.08 -0.06 1.96 -1.51 0.00 0.00 179.97 180.54 1xs2 h GLN 210 N 0.00 0.00 0.00 0.20 4.20 -1.46 -0.61 115.11 117.44 1xs2 h GLN 210 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1xs2 h GLN 210 Cb 0.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1xs2 h GLN 210 CO 0.01 0.06 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.05 1xs2 h LEU 211 N 0.00 0.00 -1.26 1.46 3.38 -1.31 -3.33 115.31 114.25 1xs2 h LEU 211 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1xs2 h LEU 211 Cb 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1xs2 h LEU 211 CO 0.01 0.11 0.58 0.44 0.09 0.00 0.00 178.44 179.67 1xs2 h ASP 212 N 0.00 0.66 0.39 -0.43 5.19 -1.25 -1.15 116.42 119.82 1xs2 h ASP 212 Ca -0.00 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1xs2 h ASP 212 Cb 0.51 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1xs2 h ASP 212 CO 0.01 0.32 -0.14 1.05 -3.12 0.00 0.00 179.24 177.37 1xs2 h GLU 213 N 0.70 0.00 -0.11 3.56 4.11 -1.77 -2.74 114.58 118.33 1xs2 h GLU 213 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1xs2 h GLU 213 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xs2 h GLU 213 CO -0.22 0.14 0.00 0.66 0.07 0.00 0.00 179.01 179.66 1xs2 n TYR 214 N -3.69 0.15 -3.56 2.06 4.01 -0.44 -4.95 117.16 110.74 1xs2 n TYR 214 Ca -0.02 -0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.43 1xs2 n TYR 214 Cb 0.26 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.36 1xs2 n TYR 214 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1xs2 n ASP 215 N -0.10 -4.19 -4.77 7.72 8.00 -1.03 -4.98 116.55 117.20 1xs2 n ASP 215 Ca 0.14 -0.61 -0.37 0.00 0.71 0.00 0.00 54.79 54.65 1xs2 n ASP 215 Cb 0.21 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 1xs2 n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xs2 s LEU 216 N -6.89 3.98 0.16 0.64 1.43 -1.26 -4.69 118.68 112.05 1xs2 s LEU 216 Ca 0.32 2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 55.74 1xs2 s LEU 216 Cb -0.14 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 41.85 1xs2 s LEU 216 CO 0.74 -1.05 1.51 0.74 0.23 0.00 0.00 176.35 178.53 1xs2 h THR 217 N 1.79 1.27 -2.38 5.49 2.02 -1.81 -3.43 112.91 115.87 1xs2 h THR 217 Ca -0.50 -1.52 0.14 0.00 0.77 0.00 0.00 66.41 65.30 1xs2 h THR 217 Cb 1.26 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.92 1xs2 h THR 217 CO 0.60 0.51 0.46 -0.72 0.37 0.00 0.00 175.52 176.74 1xs2 s TYR 218 N -4.43 -0.22 -0.21 3.16 -0.85 -1.26 -4.29 117.35 109.25 1xs2 s TYR 218 Ca -0.10 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1xs2 s TYR 218 Cb 0.12 0.61 -0.01 0.00 0.38 0.00 0.00 41.96 43.05 1xs2 s TYR 218 CO 0.87 -0.75 -0.04 0.42 -1.52 0.00 0.00 175.55 174.53 1xs2 s ILE 219 N -3.28 3.51 -0.18 -3.49 1.01 -0.23 -2.92 121.20 115.62 1xs2 s ILE 219 Ca 0.09 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1xs2 s ILE 219 Cb -0.01 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1xs2 s ILE 219 CO -0.02 0.43 0.68 -0.70 0.00 0.00 0.00 174.94 175.33 1xs2 s GLU 220 N 1.23 4.24 -1.06 2.79 2.12 -0.36 -0.56 118.70 127.11 1xs2 s GLU 220 Ca 0.03 0.72 -0.20 0.00 0.36 0.00 0.00 54.97 55.87 1xs2 s GLU 220 Cb -0.14 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1xs2 s GLU 220 CO -0.01 -0.24 0.66 0.94 -0.54 0.00 0.00 175.26 176.08 1xs2 n GLN 221 N 5.00 -0.81 0.10 4.30 -0.06 0.14 -1.79 117.38 124.27 1xs2 n GLN 221 Ca -0.00 0.38 -0.01 0.00 -2.00 0.00 0.00 57.00 55.37 1xs2 n GLN 221 Cb 0.50 -2.60 0.26 0.00 -4.06 0.00 0.00 30.24 24.34 1xs2 n GLN 221 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1xs2 h PRO 222 N -1.66 0.25 0.00 3.69 0.13 -1.86 0.10 132.00 132.65 1xs2 h PRO 222 Ca -0.67 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1xs2 h PRO 222 Cb 1.39 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1xs2 h PRO 222 CO 0.46 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 1xs2 n LEU 223 N -4.09 0.00 -4.42 1.56 4.77 -1.26 -1.60 117.00 111.96 1xs2 n LEU 223 Ca -0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 1xs2 n LEU 223 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1xs2 n LEU 223 CO 0.41 -0.20 0.05 0.00 -1.33 0.00 0.00 177.39 176.31 1xs2 n ALA 224 N -3.00 -2.74 0.29 -1.18 0.00 -1.26 -4.33 120.51 108.29 1xs2 n ALA 224 Ca 0.00 0.44 0.15 0.00 0.00 0.00 0.00 53.44 54.03 1xs2 n ALA 224 Cb 0.00 -1.64 0.88 0.00 0.00 0.00 0.00 19.45 18.69 1xs2 n ALA 224 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xs2 h TRP 225 N 1.13 0.00 -0.47 0.00 5.08 -1.93 -2.59 115.95 117.17 1xs2 h TRP 225 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1xs2 h TRP 225 Cb 1.43 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.59 1xs2 h TRP 225 CO 0.43 0.02 0.00 -0.40 -1.28 0.00 0.00 178.44 177.21 1xs2 n ASP 226 N -3.83 3.95 -4.78 0.11 5.75 -1.26 -1.87 116.55 114.62 1xs2 n ASP 226 Ca -0.03 -2.41 -0.32 0.00 -0.01 0.00 0.00 54.79 52.02 1xs2 n ASP 226 Cb 0.11 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 1xs2 n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xs2 s ASP 227 N -1.17 5.64 0.00 -1.12 -1.08 -0.98 -4.91 116.67 113.05 1xs2 s ASP 227 Ca 0.40 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1xs2 s ASP 227 Cb 0.26 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 1xs2 s ASP 227 CO 0.19 0.24 0.00 0.18 0.52 0.00 0.00 175.17 176.30 1xs2 n LEU 228 N 0.96 2.65 -0.12 -1.34 4.77 -1.26 -4.77 117.00 117.89 1xs2 n LEU 228 Ca -0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1xs2 n LEU 228 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1xs2 n LEU 228 CO 0.40 0.44 0.74 0.58 -1.33 0.00 0.00 177.39 178.22 1xs2 h VAL 229 N 0.00 1.27 -0.24 4.08 2.07 -1.98 -1.43 116.25 120.02 1xs2 h VAL 229 Ca 0.00 -1.09 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1xs2 h VAL 229 Cb 0.97 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1xs2 h VAL 229 CO 0.00 0.36 -0.48 0.44 0.02 0.00 0.00 177.57 177.91 1xs2 h ASP 230 N 0.45 0.70 -0.77 0.57 5.19 -2.00 -2.67 116.42 117.89 1xs2 h ASP 230 Ca 0.09 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1xs2 h ASP 230 Cb 0.54 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 1xs2 h ASP 230 CO 0.03 1.06 0.42 0.45 -3.12 0.00 0.00 179.24 178.08 1xs2 h HIS 231 N 0.51 1.07 -0.82 4.55 3.86 -1.82 -0.46 115.15 122.03 1xs2 h HIS 231 Ca 0.03 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xs2 h HIS 231 Cb 1.03 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 1xs2 h HIS 231 CO 0.05 0.75 0.54 0.00 0.86 0.00 0.00 177.93 180.12 1xs2 h ALA 232 N 1.37 1.06 -0.09 2.45 0.00 -0.95 -1.23 119.26 121.88 1xs2 h ALA 232 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xs2 h ALA 232 Cb 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1xs2 h ALA 232 CO -0.04 0.40 0.01 1.49 0.00 0.00 0.00 179.25 181.11 1xs2 h GLU 233 N 1.07 0.15 -1.00 0.00 4.57 -1.16 -3.05 114.58 115.17 1xs2 h GLU 233 Ca 0.31 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.54 1xs2 h GLU 233 Cb -0.07 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.43 1xs2 h GLU 233 CO -0.09 0.38 0.64 1.25 -1.18 0.00 0.00 179.01 180.01 1xs2 h LEU 234 N -0.10 0.98 -1.67 1.64 5.85 -0.82 -2.29 115.31 118.89 1xs2 h LEU 234 Ca 0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1xs2 h LEU 234 Cb 0.30 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1xs2 h LEU 234 CO 0.00 0.58 -0.19 0.00 -0.34 0.00 0.00 178.44 178.49 1xs2 h ALA 235 N 1.50 1.51 0.00 1.25 0.00 -1.12 -1.14 119.26 121.25 1xs2 h ALA 235 Ca 0.46 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1xs2 h ALA 235 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xs2 h ALA 235 CO -0.21 0.24 -0.63 0.00 0.00 0.00 0.00 179.25 178.65 1xs2 h ARG 236 N 0.00 0.00 0.00 0.00 3.08 -1.34 -3.25 114.38 112.87 1xs2 h ARG 236 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xs2 h ARG 236 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1xs2 h ARG 236 CO 0.02 0.63 -0.38 0.54 -1.07 0.00 0.00 179.97 179.71 1xs2 n ARG 237 N -3.78 0.27 -4.20 0.04 1.74 -0.47 -4.91 116.66 105.35 1xs2 n ARG 237 Ca -0.01 0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 57.04 1xs2 n ARG 237 Cb 0.63 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 1xs2 n ARG 237 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1xs2 s ILE 238 N -3.13 1.09 -0.10 0.55 -4.36 -0.99 -4.93 121.20 109.33 1xs2 s ILE 238 Ca 0.08 -1.65 0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1xs2 s ILE 238 Cb 0.13 -1.41 -0.21 0.00 1.25 0.00 0.00 42.46 42.22 1xs2 s ILE 238 CO 0.67 -0.49 0.57 0.54 0.24 0.00 0.00 174.94 176.46 1xs2 n ARG 239 N 0.58 0.64 -1.88 0.37 5.12 -1.26 -4.79 116.66 115.43 1xs2 n ARG 239 Ca -0.16 0.19 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1xs2 n ARG 239 Cb 0.57 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1xs2 n ARG 239 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1xs2 s THR 240 N -2.70 2.56 0.54 0.55 2.01 -1.26 -4.96 115.64 112.38 1xs2 s THR 240 Ca -0.06 0.35 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 1xs2 s THR 240 Cb 0.08 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1xs2 s THR 240 CO 0.83 0.02 1.17 -2.65 -0.69 0.00 0.00 174.62 173.30 1xs2 n PRO 241 N 4.29 1.38 -3.90 4.92 -0.02 -1.26 -4.82 135.00 135.60 1xs2 n PRO 241 Ca 0.15 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 1xs2 n PRO 241 Cb 0.38 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1xs2 n PRO 241 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs2 s LEU 242 N -2.42 4.37 -0.15 2.45 1.43 -1.26 -1.07 118.68 122.03 1xs2 s LEU 242 Ca 0.71 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1xs2 s LEU 242 Cb -0.44 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1xs2 s LEU 242 CO 0.50 0.29 -0.19 0.00 0.23 0.00 0.00 176.35 177.18 1xs2 s LEU 244 N 0.91 4.24 0.00 0.00 1.43 -0.81 -0.68 118.68 123.77 1xs2 s LEU 244 Ca -0.04 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1xs2 s LEU 244 Cb -0.15 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1xs2 s LEU 244 CO -0.03 0.01 0.00 -0.67 0.23 0.00 0.00 176.35 175.89 1xs2 n ASP 245 N 0.20 0.00 0.30 2.29 4.64 -1.26 -0.51 116.55 122.21 1xs2 n ASP 245 Ca -0.02 0.00 0.17 0.00 -1.38 0.00 0.00 54.79 53.56 1xs2 n ASP 245 Cb 0.52 0.00 0.92 0.00 -1.04 0.00 0.00 41.12 41.52 1xs2 n ASP 245 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1xs2 h GLU 246 N 0.00 0.00 -0.01 -0.67 3.07 -1.90 -2.64 114.58 112.44 1xs2 h GLU 246 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xs2 h GLU 246 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xs2 h GLU 246 CO 0.00 0.04 -0.12 -1.13 -1.40 0.00 0.00 179.01 176.40 1xs2 n SER 247 N -3.39 0.70 -4.11 1.42 3.41 -0.78 -4.47 113.62 106.39 1xs2 n SER 247 Ca -0.02 -0.79 -0.35 0.00 -0.26 0.00 0.00 58.87 57.45 1xs2 n SER 247 Cb 0.17 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 1xs2 n SER 247 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xs2 s VAL 248 N -2.39 3.08 -0.95 -3.33 1.01 -0.99 -4.90 120.40 111.93 1xs2 s VAL 248 Ca 0.30 -2.02 0.09 0.00 0.00 0.00 0.00 61.98 60.36 1xs2 s VAL 248 Cb 0.20 -3.09 0.17 0.00 0.00 0.00 0.00 36.38 33.66 1xs2 s VAL 248 CO 0.46 -0.60 1.02 0.00 0.00 0.00 0.00 175.10 175.98 1xs2 n ALA 249 N 4.54 2.30 -3.78 5.51 0.00 -1.26 -4.76 120.51 123.06 1xs2 n ALA 249 Ca -0.03 -0.87 -0.06 0.00 0.00 0.00 0.00 53.44 52.48 1xs2 n ALA 249 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1xs2 n ALA 249 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xs2 s SER 250 N -0.90 -0.25 0.23 0.00 1.04 -1.26 -4.26 113.70 108.30 1xs2 s SER 250 Ca 0.16 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 1xs2 s SER 250 Cb 0.09 0.62 0.22 0.00 0.10 0.00 0.00 66.02 67.05 1xs2 s SER 250 CO 0.12 -1.13 1.79 0.00 0.98 0.00 0.00 173.24 175.00 1xs2 h ALA 251 N 2.00 1.08 -0.24 5.32 0.00 -1.91 -1.54 119.26 123.97 1xs2 h ALA 251 Ca -0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1xs2 h ALA 251 Cb 1.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xs2 h ALA 251 CO 0.25 0.64 -0.29 0.66 0.00 0.00 0.00 179.25 180.51 1xs2 h SER 252 N 1.07 0.49 -0.53 0.00 4.64 -1.97 -1.34 113.55 115.91 1xs2 h SER 252 Ca 0.24 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1xs2 h SER 252 Cb 0.25 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1xs2 h SER 252 CO -0.01 0.76 0.25 0.44 -0.87 0.00 0.00 176.83 177.40 1xs2 h ASP 253 N 0.42 0.34 -0.45 4.97 3.32 -1.85 -1.86 116.42 121.31 1xs2 h ASP 253 Ca 0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xs2 h ASP 253 Cb 0.72 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1xs2 h ASP 253 CO 0.06 0.23 0.29 0.00 -1.72 0.00 0.00 179.24 178.09 1xs2 h ALA 254 N 1.30 0.57 -0.75 3.45 0.00 -0.69 0.14 119.26 123.29 1xs2 h ALA 254 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xs2 h ALA 254 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xs2 h ALA 254 CO -0.18 0.04 0.49 -0.09 0.00 0.00 0.00 179.25 179.51 1xs2 h ARG 255 N 0.61 0.96 -0.28 0.00 1.12 -1.12 -1.53 114.38 114.13 1xs2 h ARG 255 Ca 0.16 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.91 1xs2 h ARG 255 Cb -0.04 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.70 1xs2 h ARG 255 CO -0.03 0.63 -0.07 0.87 -3.11 0.00 0.00 179.97 178.26 1xs2 h LYS 256 N 0.99 0.55 -0.46 0.20 1.57 -0.84 0.20 116.57 118.78 1xs2 h LYS 256 Ca 0.28 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xs2 h LYS 256 Cb -0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1xs2 h LYS 256 CO -0.07 0.76 0.31 0.00 -0.57 0.00 0.00 179.45 179.87 1xs2 h ALA 257 N 0.78 0.59 0.09 3.86 0.00 -0.85 -0.72 119.26 123.00 1xs2 h ALA 257 Ca 0.07 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1xs2 h ALA 257 Cb 0.56 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xs2 h ALA 257 CO 0.03 0.04 -1.17 -0.07 0.00 0.00 0.00 179.25 178.07 1xs2 h LEU 258 N 0.63 0.77 -1.33 0.00 3.38 -1.16 0.11 115.31 117.72 1xs2 h LEU 258 Ca 0.17 -0.70 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 1xs2 h LEU 258 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1xs2 h LEU 258 CO -0.04 1.51 -0.19 0.00 0.09 0.00 0.00 178.44 179.82 1xs2 h ALA 259 N 0.42 1.44 0.00 1.53 0.00 -0.52 -2.42 119.26 119.70 1xs2 h ALA 259 Ca -0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xs2 h ALA 259 Cb 1.84 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xs2 h ALA 259 CO 0.22 0.39 -0.05 -0.07 0.00 0.00 0.00 179.25 179.74 1xs2 h LEU 260 N 0.21 0.00 0.05 0.00 3.38 -1.02 -3.47 115.31 114.46 1xs2 h LEU 260 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xs2 h LEU 260 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xs2 h LEU 260 CO 0.03 0.05 -0.01 0.61 0.09 0.00 0.00 178.44 179.21 1xs2 n GLY 261 N 0.71 0.37 0.27 0.83 0.00 -0.89 -4.86 105.19 101.61 1xs2 n GLY 261 Ca 0.03 -0.93 0.15 0.00 0.00 0.00 0.00 46.02 45.26 1xs2 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs2 h ALA 262 N 0.02 1.09 -2.29 4.61 0.00 -1.05 -3.39 119.26 118.25 1xs2 h ALA 262 Ca -0.01 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1xs2 h ALA 262 Cb 0.72 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1xs2 h ALA 262 CO 0.01 0.12 0.50 0.20 0.00 0.00 0.00 179.25 180.08 1xs2 s GLY 263 N -4.21 -0.36 0.00 0.00 0.00 -1.26 -4.29 107.32 97.21 1xs2 s GLY 263 Ca -0.01 0.60 0.08 0.00 0.00 0.00 0.00 44.72 45.39 1xs2 s GLY 263 CO 0.56 0.18 0.68 0.61 0.00 0.00 0.00 173.10 175.13 1xs2 n GLY 264 N -0.35 -0.42 3.02 0.20 0.00 -0.61 -4.73 105.19 102.30 1xs2 n GLY 264 Ca -0.08 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1xs2 n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs2 s VAL 265 N -0.92 0.04 -0.10 1.61 1.01 -1.15 -4.01 120.40 116.88 1xs2 s VAL 265 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1xs2 s VAL 265 Cb 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1xs2 s VAL 265 CO 0.15 -0.17 -0.18 -0.63 0.00 0.00 0.00 175.10 174.27 1xs2 s ILE 266 N -0.52 1.65 -0.60 2.22 1.01 -1.07 -1.92 121.20 121.97 1xs2 s ILE 266 Ca -0.06 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 1xs2 s ILE 266 Cb -0.04 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 40.99 1xs2 s ILE 266 CO 0.00 0.47 1.19 0.21 0.00 0.00 0.00 174.94 176.81 1xs2 s ASN 267 N 0.66 6.39 -0.39 3.58 3.84 0.33 -2.02 114.94 127.32 1xs2 s ASN 267 Ca -0.13 -0.02 -0.20 0.00 0.21 0.00 0.00 52.86 52.71 1xs2 s ASN 267 Cb -0.16 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.00 1xs2 s ASN 267 CO 0.03 -1.52 0.63 -0.22 -2.79 0.00 0.00 177.10 173.24 1xs2 s LEU 268 N 5.00 4.36 -0.32 3.21 2.96 -0.40 -4.58 118.68 128.91 1xs2 s LEU 268 Ca 0.41 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 1xs2 s LEU 268 Cb -0.08 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.87 1xs2 s LEU 268 CO 0.23 -0.67 0.13 -0.54 -1.32 0.00 0.00 176.35 174.17 1xs2 s LYS 269 N 2.75 2.98 0.22 1.98 1.02 -1.26 -2.49 119.74 124.94 1xs2 s LYS 269 Ca 0.23 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 1xs2 s LYS 269 Cb -0.14 -3.50 0.33 0.00 -0.52 0.00 0.00 37.83 34.00 1xs2 s LYS 269 CO 0.17 -0.54 1.73 -0.24 -0.92 0.00 0.00 175.35 175.55 1xs2 h VAL 270 N 5.89 0.70 -0.23 3.17 3.04 -1.89 -1.20 116.25 125.74 1xs2 h VAL 270 Ca -0.29 -0.13 -0.13 0.00 -1.01 0.00 0.00 66.70 65.15 1xs2 h VAL 270 Cb 1.12 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 1xs2 h VAL 270 CO 0.62 0.07 -0.39 0.00 -1.01 0.00 0.00 177.57 176.86 1xs2 h ALA 271 N 1.47 0.90 -0.07 3.17 0.00 -1.94 0.20 119.26 122.98 1xs2 h ALA 271 Ca 0.34 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xs2 h ALA 271 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xs2 h ALA 271 CO -0.36 0.63 -0.19 -0.09 0.00 0.00 0.00 179.25 179.24 1xs2 h ARG 272 N 0.43 0.12 -0.29 0.00 2.43 -1.55 -2.13 114.38 113.39 1xs2 h ARG 272 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xs2 h ARG 272 Cb 0.87 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1xs2 h ARG 272 CO 0.07 0.31 0.00 1.33 -1.51 0.00 0.00 179.97 180.18 1xs2 n VAL 273 N -4.26 0.37 -0.24 0.20 0.24 -1.05 -4.69 118.33 108.89 1xs2 n VAL 273 Ca -0.02 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1xs2 n VAL 273 Cb 0.28 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1xs2 n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xs2 n GLY 274 N 1.38 0.87 0.00 7.63 0.00 -0.80 -4.69 105.19 109.57 1xs2 n GLY 274 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xs2 n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs2 n GLY 275 N -2.24 0.38 0.13 -0.02 0.00 0.05 -4.10 105.19 99.39 1xs2 n GLY 275 Ca 0.00 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 1xs2 n GLY 275 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xs2 h HIS 276 N 0.00 0.48 -0.39 1.61 3.86 -1.89 -1.32 115.15 117.49 1xs2 h HIS 276 Ca 0.00 -0.22 0.02 0.00 -1.16 0.00 0.00 60.37 59.01 1xs2 h HIS 276 Cb 0.00 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1xs2 h HIS 276 CO 0.00 0.97 0.22 0.00 0.86 0.00 0.00 177.93 179.98 1xs2 h ALA 277 N 0.40 0.49 -0.39 2.45 0.00 -1.96 0.22 119.26 120.48 1xs2 h ALA 277 Ca -0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1xs2 h ALA 277 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xs2 h ALA 277 CO 0.07 -0.13 -0.25 1.49 0.00 0.00 0.00 179.25 180.44 1xs2 h GLU 278 N 0.44 0.80 -0.66 0.00 4.57 -1.87 -2.07 114.58 115.79 1xs2 h GLU 278 Ca 0.16 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1xs2 h GLU 278 Cb 0.03 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1xs2 h GLU 278 CO -0.09 0.96 0.31 0.77 -1.18 0.00 0.00 179.01 179.78 1xs2 h SER 279 N 0.69 0.88 -0.90 1.04 0.02 -0.67 0.56 113.55 115.16 1xs2 h SER 279 Ca 0.09 -0.14 0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1xs2 h SER 279 Cb 0.77 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 1xs2 h SER 279 CO 0.06 0.78 0.53 -0.09 -1.14 0.00 0.00 176.83 176.96 1xs2 h ARG 280 N 0.92 0.80 -0.38 3.45 2.43 -0.27 -0.61 114.38 120.71 1xs2 h ARG 280 Ca 0.23 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1xs2 h ARG 280 Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xs2 h ARG 280 CO -0.03 0.53 0.01 0.00 -1.51 0.00 0.00 179.97 178.98 1xs2 h ARG 281 N 0.82 0.67 -0.43 0.20 3.08 -0.50 0.84 114.38 119.07 1xs2 h ARG 281 Ca 0.45 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1xs2 h ARG 281 Cb 0.49 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1xs2 h ARG 281 CO -0.28 0.76 0.24 0.28 -1.07 0.00 0.00 179.97 179.89 1xs2 h VAL 282 N 0.50 1.01 -0.63 2.04 2.07 -0.62 0.20 116.25 120.81 1xs2 h VAL 282 Ca 0.11 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1xs2 h VAL 282 Cb 0.45 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1xs2 h VAL 282 CO 0.02 0.09 0.37 -0.74 0.02 0.00 0.00 177.57 177.33 1xs2 h HIS 283 N 0.48 0.69 -0.01 1.57 -0.00 -0.83 0.81 115.15 117.87 1xs2 h HIS 283 Ca 0.18 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.42 1xs2 h HIS 283 Cb 0.05 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1xs2 h HIS 283 CO -0.08 0.37 -0.72 -0.44 -0.00 0.00 0.00 177.93 177.06 1xs2 h ASP 284 N 0.72 0.05 -0.29 3.26 3.32 -0.06 -2.20 116.42 121.22 1xs2 h ASP 284 Ca 0.27 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1xs2 h ASP 284 Cb 0.08 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1xs2 h ASP 284 CO -0.13 0.75 -0.13 0.58 -1.72 0.00 0.00 179.24 178.59 1xs2 h VAL 285 N 0.03 1.29 -0.39 -1.35 2.07 -0.05 -1.35 116.25 116.51 1xs2 h VAL 285 Ca -0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1xs2 h VAL 285 Cb 1.27 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1xs2 h VAL 285 CO 0.10 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.27 1xs2 h ALA 286 N 0.75 0.50 -0.82 1.67 0.00 -0.85 -2.43 119.26 118.07 1xs2 h ALA 286 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xs2 h ALA 286 Cb 0.65 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xs2 h ALA 286 CO 0.04 0.05 0.50 0.37 0.00 0.00 0.00 179.25 180.21 1xs2 h GLN 287 N 0.49 1.11 0.00 0.00 4.15 -1.28 0.32 115.11 119.90 1xs2 h GLN 287 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1xs2 h GLN 287 Cb 0.10 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1xs2 h GLN 287 CO -0.02 0.77 -0.05 0.66 -1.93 0.00 0.00 178.83 178.26 1xs2 h SER 288 N 1.13 0.00 -0.01 -0.69 4.64 -0.77 -1.40 113.55 116.44 1xs2 h SER 288 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1xs2 h SER 288 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1xs2 h SER 288 CO -0.06 0.05 -0.08 0.49 -0.87 0.00 0.00 176.83 176.36 1xs2 n PHE 289 N -3.50 0.00 -2.25 4.77 3.01 -0.39 -4.94 117.46 114.16 1xs2 n PHE 289 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.34 1xs2 n PHE 289 Cb 0.16 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1xs2 n PHE 289 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xs2 n GLY 290 N 1.33 -0.01 3.57 1.37 0.00 -0.53 -5.03 105.19 105.89 1xs2 n GLY 290 Ca 0.14 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1xs2 n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs2 s ALA 291 N -2.53 3.22 0.65 4.61 0.00 -0.04 -4.98 121.76 122.68 1xs2 s ALA 291 Ca 0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1xs2 s ALA 291 Cb -0.01 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1xs2 s ALA 291 CO 0.03 0.19 1.04 -1.25 0.00 0.00 0.00 175.76 175.77 1xs2 s PRO 292 N 0.38 3.30 0.36 0.00 0.04 -1.26 -3.36 135.00 134.46 1xs2 s PRO 292 Ca -0.00 0.60 0.08 0.00 0.04 0.00 0.00 61.00 61.72 1xs2 s PRO 292 Cb -0.13 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1xs2 s PRO 292 CO 0.01 -0.73 0.12 0.14 0.04 0.00 0.00 177.00 176.58 1xs2 s VAL 293 N -3.22 2.75 0.05 -0.36 -7.23 -0.55 -2.60 120.40 109.24 1xs2 s VAL 293 Ca 0.56 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1xs2 s VAL 293 Cb -0.11 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1xs2 s VAL 293 CO 0.53 -0.15 0.06 -1.66 -0.31 0.00 0.00 175.10 173.57 1xs2 s TRP 294 N -2.49 0.30 -0.36 2.82 1.48 -0.86 -2.69 118.94 117.14 1xs2 s TRP 294 Ca 0.38 -0.72 -0.21 0.00 -1.06 0.00 0.00 56.10 54.49 1xs2 s TRP 294 Cb -0.00 -0.21 0.01 0.00 -1.16 0.00 0.00 33.47 32.10 1xs2 s TRP 294 CO 0.22 -0.39 0.67 0.00 -4.06 0.00 0.00 176.95 173.39 1xs2 s GLY 296 N 1.81 1.46 0.43 0.00 0.00 -1.04 0.16 107.32 110.15 1xs2 s GLY 296 Ca 0.26 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1xs2 s GLY 296 CO 0.15 -0.45 0.03 -0.32 0.00 0.00 0.00 173.10 172.52 1xs2 s GLY 297 N -4.10 2.63 -0.44 0.20 0.00 -1.26 -4.73 107.32 99.62 1xs2 s GLY 297 Ca 0.46 -1.45 0.07 0.00 0.00 0.00 0.00 44.72 43.80 1xs2 s GLY 297 CO 0.43 -2.05 1.16 1.03 0.00 0.00 0.00 173.10 173.68 1xs2 n MET 298 N -1.01 1.06 -3.88 2.90 2.81 -1.26 -5.01 117.12 112.72 1xs2 n MET 298 Ca -0.10 -1.95 -0.26 0.00 -1.81 0.00 0.00 57.70 53.58 1xs2 n MET 298 Cb 0.67 -0.83 0.01 0.00 -0.71 0.00 0.00 33.22 32.35 1xs2 n MET 298 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xs2 n LEU 299 N 0.14 -2.55 -4.80 4.03 4.77 -1.26 -4.90 117.00 112.43 1xs2 n LEU 299 Ca 0.05 -0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 54.78 1xs2 n LEU 299 Cb 0.73 -2.43 -0.07 0.00 -2.33 0.00 0.00 43.42 39.33 1xs2 n LEU 299 CO 0.02 0.42 0.65 -1.61 -1.33 0.00 0.00 177.39 175.54 1xs2 s GLU 300 N -6.40 4.36 1.25 3.23 8.01 -1.26 -5.05 118.70 122.84 1xs2 s GLU 300 Ca 0.19 1.21 -0.19 0.00 0.01 0.00 0.00 54.97 56.19 1xs2 s GLU 300 Cb -0.10 -2.43 0.30 0.00 -4.31 0.00 0.00 34.13 27.60 1xs2 s GLU 300 CO 0.85 0.08 1.05 -1.54 0.01 0.00 0.00 175.26 175.71 1xs2 s SER 301 N -1.94 0.45 0.56 -0.19 1.04 -1.26 -4.66 113.70 107.70 1xs2 s SER 301 Ca 0.57 0.81 0.32 0.00 0.48 0.00 0.00 55.95 58.13 1xs2 s SER 301 Cb -0.13 -1.16 1.65 0.00 0.10 0.00 0.00 66.02 66.48 1xs2 s SER 301 CO 0.18 -4.43 2.13 1.23 0.98 0.00 0.00 173.24 173.32 1xs2 h GLY 302 N -2.79 0.00 0.71 7.32 0.00 -1.96 -0.31 103.07 106.05 1xs2 h GLY 302 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1xs2 h GLY 302 CO 0.36 0.00 -0.29 -2.22 0.00 0.00 0.00 176.54 174.39 1xs2 h ILE 303 N 0.00 0.19 -0.78 2.60 1.08 -1.95 -1.37 117.51 117.29 1xs2 h ILE 303 Ca -0.00 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 1xs2 h ILE 303 Cb 0.28 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 1xs2 h ILE 303 CO 0.01 0.03 0.47 1.23 -0.69 0.00 0.00 178.15 179.20 1xs2 h GLY 304 N -1.11 1.15 1.28 5.37 0.00 -1.81 -2.13 103.07 105.83 1xs2 h GLY 304 Ca -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1xs2 h GLY 304 CO 0.14 0.24 0.27 -0.09 0.00 0.00 0.00 176.54 177.10 1xs2 h ARG 305 N 0.87 0.93 -0.24 4.80 2.43 -1.07 -1.57 114.38 120.53 1xs2 h ARG 305 Ca 0.34 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1xs2 h ARG 305 Cb 0.15 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1xs2 h ARG 305 CO -0.16 0.75 -0.35 0.00 -1.51 0.00 0.00 179.97 178.69 1xs2 h ALA 306 N 1.38 0.36 -0.70 2.80 0.00 -0.86 -0.82 119.26 121.42 1xs2 h ALA 306 Ca 0.22 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1xs2 h ALA 306 Cb 0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1xs2 h ALA 306 CO -0.02 0.42 0.25 0.45 0.00 0.00 0.00 179.25 180.35 1xs2 h HIS 307 N 0.36 0.42 -0.43 0.00 3.86 -1.14 -1.94 115.15 116.27 1xs2 h HIS 307 Ca 0.02 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1xs2 h HIS 307 Cb 0.94 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1xs2 h HIS 307 CO 0.08 0.04 0.19 -0.91 0.86 0.00 0.00 177.93 178.19 1xs2 h ASN 308 N 0.39 0.58 -0.77 2.45 2.35 -0.95 -1.99 115.58 117.64 1xs2 h ASN 308 Ca 0.38 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1xs2 h ASN 308 Cb 0.56 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1xs2 h ASN 308 CO -0.40 0.57 0.41 0.40 -1.65 0.00 0.00 177.43 176.76 1xs2 h ILE 309 N 0.55 1.23 -0.37 2.81 2.04 -0.77 -0.30 117.51 122.71 1xs2 h ILE 309 Ca 0.15 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1xs2 h ILE 309 Cb 0.15 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1xs2 h ILE 309 CO -0.02 0.26 -0.02 0.45 0.00 0.00 0.00 178.15 178.83 1xs2 h HIS 310 N 1.06 0.73 -0.91 1.37 3.86 -1.21 -2.30 115.15 117.74 1xs2 h HIS 310 Ca 0.27 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1xs2 h HIS 310 Cb 0.04 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 1xs2 h HIS 310 CO 0.00 0.77 0.59 1.25 0.86 0.00 0.00 177.93 181.40 1xs2 h LEU 311 N 0.48 0.91 -0.05 2.43 5.85 -1.12 -2.58 115.31 121.23 1xs2 h LEU 311 Ca 0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xs2 h LEU 311 Cb 0.49 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1xs2 h LEU 311 CO 0.02 0.58 0.00 -1.20 -0.34 0.00 0.00 178.44 177.51 1xs2 n SER 312 N -4.49 0.04 0.05 1.25 7.64 -0.14 -2.28 113.62 115.69 1xs2 n SER 312 Ca 0.14 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.63 1xs2 n SER 312 Cb 0.20 -0.52 0.42 0.00 -1.01 0.00 0.00 64.21 63.30 1xs2 n SER 312 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xs2 n THR 313 N -1.55 0.75 -1.64 0.44 -2.24 -0.97 -4.71 114.28 104.37 1xs2 n THR 313 Ca 0.03 0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.62 1xs2 n THR 313 Cb 0.16 -0.93 0.07 0.00 -2.10 0.00 0.00 70.33 67.53 1xs2 n THR 313 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xs2 s LEU 314 N -3.59 3.43 0.47 3.22 1.02 -0.97 -3.84 118.68 118.42 1xs2 s LEU 314 Ca 0.08 2.32 0.26 0.00 0.02 0.00 0.00 54.13 56.81 1xs2 s LEU 314 Cb 0.11 -4.59 0.72 0.00 0.02 0.00 0.00 46.19 42.46 1xs2 s LEU 314 CO 0.38 -1.99 1.75 0.77 0.02 0.00 0.00 176.35 177.27 1xs2 h SER 315 N 0.09 0.00 -0.19 2.29 4.64 -1.89 -2.66 113.55 115.82 1xs2 h SER 315 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1xs2 h SER 315 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xs2 h SER 315 CO 0.52 0.06 0.00 -3.20 -0.87 0.00 0.00 176.83 173.34 1xs2 n ASN 316 N -3.14 1.56 -4.30 4.97 4.05 -1.26 -4.39 115.26 112.76 1xs2 n ASN 316 Ca 0.02 -1.76 -0.43 0.00 0.45 0.00 0.00 54.58 52.87 1xs2 n ASN 316 Cb 0.46 -0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.35 1xs2 n ASN 316 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1xs2 n PHE 317 N 0.27 4.30 1.00 1.20 3.01 -1.01 -1.48 117.46 124.76 1xs2 n PHE 317 Ca 0.15 -2.93 0.10 0.00 1.01 0.00 0.00 57.45 55.78 1xs2 n PHE 317 Cb 0.30 -2.54 -0.07 0.00 -0.01 0.00 0.00 39.48 37.15 1xs2 n PHE 317 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xs2 n ARG 318 N 7.29 0.15 -4.41 -1.08 1.74 -1.10 -4.88 116.66 114.36 1xs2 n ARG 318 Ca 0.48 -0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 57.15 1xs2 n ARG 318 Cb 0.43 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 1xs2 n ARG 318 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xs2 s LEU 319 N -2.94 2.35 0.41 0.55 1.43 -1.23 -5.07 118.68 114.19 1xs2 s LEU 319 Ca 0.10 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.21 1xs2 s LEU 319 Cb 0.16 -1.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 1xs2 s LEU 319 CO 0.82 0.18 1.43 -2.84 0.23 0.00 0.00 176.35 176.17 1xs2 s PRO 320 N -2.02 3.91 0.31 1.29 0.02 -1.26 -4.53 135.00 132.73 1xs2 s PRO 320 Ca 0.14 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.65 1xs2 s PRO 320 Cb -0.10 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 1xs2 s PRO 320 CO 0.06 -0.64 0.43 0.20 -0.33 0.00 0.00 177.00 176.73 1xs2 s GLY 321 N -0.41 1.51 -0.03 0.52 0.00 -0.74 -4.57 107.32 103.60 1xs2 s GLY 321 Ca 0.57 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1xs2 s GLY 321 CO 0.58 -1.35 0.85 1.22 0.00 0.00 0.00 173.10 174.39 1xs2 n ASP 322 N -1.57 1.55 -3.52 1.64 8.00 0.12 -1.32 116.55 121.46 1xs2 n ASP 322 Ca -0.02 -2.12 -0.40 0.00 0.71 0.00 0.00 54.79 52.95 1xs2 n ASP 322 Cb 0.58 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.27 1xs2 n ASP 322 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xs2 n THR 323 N 0.06 4.59 -0.99 -3.53 -2.24 -1.26 -4.66 114.28 106.24 1xs2 n THR 323 Ca 0.05 -3.62 -0.08 0.00 -2.27 0.00 0.00 64.05 58.13 1xs2 n THR 323 Cb 0.33 -2.36 0.06 0.00 -2.10 0.00 0.00 70.33 66.26 1xs2 n THR 323 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xs2 n SER 324 N 3.19 -0.53 -4.76 3.42 3.41 -1.26 -4.90 113.62 112.19 1xs2 n SER 324 Ca 0.63 -0.94 -0.40 0.00 -0.26 0.00 0.00 58.87 57.90 1xs2 n SER 324 Cb 0.28 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1xs2 n SER 324 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xs2 s SER 325 N -2.28 6.94 0.22 4.04 0.01 -1.26 -4.85 113.70 116.51 1xs2 s SER 325 Ca 0.19 2.42 -0.09 0.00 1.31 0.00 0.00 55.95 59.79 1xs2 s SER 325 Cb -0.01 -2.63 0.19 0.00 0.21 0.00 0.00 66.02 63.78 1xs2 s SER 325 CO 0.14 -0.39 1.90 0.00 0.41 0.00 0.00 173.24 175.30 1xs2 h ALA 326 N 3.40 1.06 0.00 1.44 0.00 -1.68 -2.20 119.26 121.28 1xs2 h ALA 326 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xs2 h ALA 326 Cb 1.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xs2 h ALA 326 CO 0.65 0.46 0.14 0.66 0.00 0.00 0.00 179.25 181.17 1xs2 h SER 327 N 1.13 0.00 1.12 0.00 4.64 -1.82 -0.46 113.55 118.16 1xs2 h SER 327 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xs2 h SER 327 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1xs2 h SER 327 CO -0.07 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.92 1xs2 h ARG 328 N 0.00 0.00 0.00 4.77 3.08 -1.78 -3.38 114.38 117.07 1xs2 h ARG 328 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1xs2 h ARG 328 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1xs2 h ARG 328 CO 0.00 0.00 -1.27 0.66 -1.07 0.00 0.00 179.97 178.29 1xs2 n TYR 329 N -2.84 0.00 -5.15 3.04 4.02 -0.21 -4.88 117.16 111.13 1xs2 n TYR 329 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1xs2 n TYR 329 Cb 0.33 -0.18 -0.15 0.00 -0.02 0.00 0.00 39.34 39.31 1xs2 n TYR 329 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1xs2 s TRP 330 N -2.09 2.49 0.21 -0.72 0.52 -1.01 -1.83 118.94 116.51 1xs2 s TRP 330 Ca -0.07 -0.47 -0.10 0.00 0.02 0.00 0.00 56.10 55.49 1xs2 s TRP 330 Cb 0.02 -1.59 0.17 0.00 -1.15 0.00 0.00 33.47 30.92 1xs2 s TRP 330 CO 0.10 -0.05 1.88 0.93 0.02 0.00 0.00 176.95 179.83 1xs2 h GLU 331 N 5.71 1.05 -2.97 4.98 5.08 -1.85 -3.42 114.58 123.15 1xs2 h GLU 331 Ca -0.39 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 1xs2 h GLU 331 Cb 1.15 -0.23 -0.34 0.00 0.50 0.00 0.00 28.75 29.83 1xs2 h GLU 331 CO 0.48 0.70 -0.57 0.50 -1.00 0.00 0.00 179.01 179.12 1xs2 s ARG 332 N -6.10 0.10 0.90 2.33 3.52 -1.26 -5.07 118.95 113.37 1xs2 s ARG 332 Ca -0.13 0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 56.02 1xs2 s ARG 332 Cb 0.15 -0.14 0.13 0.00 -1.56 0.00 0.00 34.95 33.54 1xs2 s ARG 332 CO 0.79 -0.29 1.09 0.34 -0.81 0.00 0.00 175.30 176.42 1xs2 s ASP 333 N 2.31 3.38 0.00 -2.12 -1.08 -1.26 -4.98 116.67 112.91 1xs2 s ASP 333 Ca 0.01 1.53 0.29 0.00 -0.52 0.00 0.00 52.55 53.87 1xs2 s ASP 333 Cb -0.12 -2.21 1.46 0.00 -1.46 0.00 0.00 42.92 40.59 1xs2 s ASP 333 CO -0.07 -2.71 2.01 0.18 0.52 0.00 0.00 175.17 175.10 1xs2 n LEU 334 N -3.93 0.00 -4.72 -1.34 4.77 -1.26 -4.84 117.00 105.67 1xs2 n LEU 334 Ca 0.07 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 56.12 1xs2 n LEU 334 Cb 0.55 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1xs2 n LEU 334 CO 0.55 -0.01 -0.21 0.27 -1.33 0.00 0.00 177.39 176.66 1xs2 s ILE 335 N -2.59 3.01 0.15 -0.08 -4.36 -1.26 -0.51 121.20 115.56 1xs2 s ILE 335 Ca 0.27 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1xs2 s ILE 335 Cb 0.19 -2.96 -0.16 0.00 1.25 0.00 0.00 42.46 40.78 1xs2 s ILE 335 CO 0.45 -0.19 1.35 1.56 0.24 0.00 0.00 174.94 178.35 1xs2 h GLN 336 N 1.58 0.22 -6.57 0.37 4.20 -1.48 -3.43 115.11 110.00 1xs2 h GLN 336 Ca -0.44 -0.25 -0.52 0.00 0.06 0.00 0.00 58.65 57.50 1xs2 h GLN 336 Cb 1.25 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 1xs2 h GLN 336 CO 0.63 0.99 0.12 -1.21 -0.67 0.00 0.00 178.83 178.69 1xs2 s GLU 337 N -3.17 4.29 0.29 1.46 8.01 -1.26 -5.04 118.70 123.27 1xs2 s GLU 337 Ca -0.03 0.90 -0.28 0.00 0.01 0.00 0.00 54.97 55.57 1xs2 s GLU 337 Cb 0.10 -2.91 -0.10 0.00 -4.31 0.00 0.00 34.13 26.91 1xs2 s GLU 337 CO 0.84 0.41 0.95 -1.25 0.01 0.00 0.00 175.26 176.22 1xs2 s PRO 338 N -1.89 4.68 -0.55 0.39 0.04 -1.26 -5.02 135.00 131.39 1xs2 s PRO 338 Ca 0.42 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1xs2 s PRO 338 Cb -0.17 -2.99 0.15 0.00 0.04 0.00 0.00 34.50 31.54 1xs2 s PRO 338 CO 0.21 0.36 0.36 -0.51 0.04 0.00 0.00 177.00 177.46 1xs2 s LEU 339 N -1.72 3.55 -0.11 -3.56 1.43 -1.26 -5.04 118.68 111.97 1xs2 s LEU 339 Ca 0.47 -3.23 0.03 0.00 -1.03 0.00 0.00 54.13 50.36 1xs2 s LEU 339 Cb -0.22 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 1xs2 s LEU 339 CO 0.27 -0.17 -0.21 -1.61 0.23 0.00 0.00 176.35 174.85 1xs2 s GLU 340 N -0.49 3.12 0.12 1.70 0.41 -1.26 -1.64 118.70 120.65 1xs2 s GLU 340 Ca 0.23 -0.84 -0.19 0.00 -0.41 0.00 0.00 54.97 53.76 1xs2 s GLU 340 Cb -0.12 -2.38 -0.07 0.00 -1.78 0.00 0.00 34.13 29.77 1xs2 s GLU 340 CO -0.10 0.17 0.61 0.00 -0.49 0.00 0.00 175.26 175.45 1xs2 s ALA 341 N 0.39 3.55 -0.05 5.21 0.00 -1.26 -4.55 121.76 125.05 1xs2 s ALA 341 Ca -0.16 0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1xs2 s ALA 341 Cb -0.17 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1xs2 s ALA 341 CO 0.07 0.39 -0.19 0.08 0.00 0.00 0.00 175.76 176.11 1xs2 s VAL 342 N -1.24 1.61 -1.57 0.00 1.01 -0.79 -4.77 120.40 114.64 1xs2 s VAL 342 Ca 0.33 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1xs2 s VAL 342 Cb -0.19 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1xs2 s VAL 342 CO 0.20 0.46 0.01 -0.67 0.00 0.00 0.00 175.10 175.10 1xs2 n ASP 343 N 3.11 -5.34 -0.65 3.32 2.03 -1.23 -1.56 116.55 116.23 1xs2 n ASP 343 Ca -0.18 0.04 -0.07 0.00 0.52 0.00 0.00 54.79 55.10 1xs2 n ASP 343 Cb 0.53 -4.47 -0.02 0.00 -0.72 0.00 0.00 41.12 36.44 1xs2 n ASP 343 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xs2 n GLY 344 N -0.96 0.63 3.05 0.27 0.00 -1.11 -4.66 105.19 102.42 1xs2 n GLY 344 Ca -0.22 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1xs2 n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xs2 s LEU 345 N -1.80 1.70 -0.22 0.99 1.43 -0.60 -1.38 118.68 118.80 1xs2 s LEU 345 Ca 0.00 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1xs2 s LEU 345 Cb 0.00 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1xs2 s LEU 345 CO 0.00 0.03 0.02 -0.32 0.23 0.00 0.00 176.35 176.30 1xs2 s MET 346 N 0.85 3.58 0.45 1.70 -2.45 -0.11 -1.89 119.30 121.43 1xs2 s MET 346 Ca -0.10 -0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 53.60 1xs2 s MET 346 Cb -0.15 -3.16 -0.09 0.00 1.25 0.00 0.00 34.83 32.68 1xs2 s MET 346 CO 0.01 -0.11 1.02 -1.25 1.05 0.00 0.00 175.02 175.74 1xs2 s PRO 347 N 1.33 3.98 -0.13 4.11 0.04 -1.26 -1.45 135.00 141.62 1xs2 s PRO 347 Ca 0.04 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1xs2 s PRO 347 Cb -0.15 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1xs2 s PRO 347 CO 0.01 -0.28 1.26 0.08 0.04 0.00 0.00 177.00 178.11 1xs2 s VAL 348 N -1.93 4.25 0.04 -0.36 1.01 -0.86 -4.91 120.40 117.63 1xs2 s VAL 348 Ca 0.64 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.84 1xs2 s VAL 348 Cb -0.16 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1xs2 s VAL 348 CO 0.20 -0.09 1.66 -2.16 0.00 0.00 0.00 175.10 174.71 1xs2 s PRO 349 N 3.12 4.20 0.50 2.72 0.04 -1.26 -4.96 135.00 139.36 1xs2 s PRO 349 Ca 0.56 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.70 1xs2 s PRO 349 Cb -0.23 -3.70 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 1xs2 s PRO 349 CO 0.17 -0.76 1.04 -0.65 0.04 0.00 0.00 177.00 176.84 1xs2 s GLN 350 N 2.97 3.73 0.00 4.56 -0.21 -1.26 -4.32 119.66 125.12 1xs2 s GLN 350 Ca 0.74 1.32 0.00 0.00 0.02 0.00 0.00 55.36 57.44 1xs2 s GLN 350 Cb -0.38 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.54 1xs2 s GLN 350 CO 0.32 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.41 1xs2 n GLY 351 N -0.41 1.53 3.79 3.09 0.00 -1.26 -4.54 105.19 107.39 1xs2 n GLY 351 Ca 0.09 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1xs2 n GLY 351 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xs2 s PRO 352 N -1.35 2.32 3.04 1.61 0.04 -1.26 -3.97 135.00 135.43 1xs2 s PRO 352 Ca 0.00 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1xs2 s PRO 352 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1xs2 s PRO 352 CO 0.00 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1xs2 n GLY 353 N -1.72 2.84 0.29 0.56 0.00 -0.44 -0.98 105.19 105.75 1xs2 n GLY 353 Ca 0.08 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1xs2 n GLY 353 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xs2 h THR 354 N 0.00 0.30 -0.26 2.61 1.35 -1.87 -0.65 112.91 114.38 1xs2 h THR 354 Ca 0.00 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 65.41 1xs2 h THR 354 Cb 0.00 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 1xs2 h THR 354 CO 0.00 0.05 -0.10 0.61 -0.25 0.00 0.00 175.52 175.83 1xs2 n GLY 355 N -0.72 0.77 3.48 5.82 0.00 -0.15 -4.69 105.19 109.70 1xs2 n GLY 355 Ca -0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1xs2 n GLY 355 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xs2 s VAL 356 N -2.04 1.62 -0.07 1.61 -7.23 -1.26 -4.34 120.40 108.69 1xs2 s VAL 356 Ca 0.00 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1xs2 s VAL 356 Cb 0.00 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1xs2 s VAL 356 CO 0.00 -0.14 0.14 -0.89 -0.31 0.00 0.00 175.10 173.90 1xs2 s THR 357 N -3.01 -0.08 0.29 5.32 2.01 -1.26 -5.06 115.64 113.85 1xs2 s THR 357 Ca 0.33 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1xs2 s THR 357 Cb 0.06 -0.24 -0.10 0.00 0.01 0.00 0.00 72.50 72.23 1xs2 s THR 357 CO 0.14 0.09 1.39 -0.76 -0.69 0.00 0.00 174.62 174.79 1xs2 s LEU 358 N 1.34 4.40 -0.73 4.42 1.43 -1.26 -1.31 118.68 126.96 1xs2 s LEU 358 Ca -0.07 2.71 -0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1xs2 s LEU 358 Cb -0.12 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.55 1xs2 s LEU 358 CO -0.06 -0.65 0.99 -0.62 0.23 0.00 0.00 176.35 176.25 1xs2 s ASP 359 N -0.02 6.30 0.05 2.29 3.68 0.33 -4.71 116.67 124.59 1xs2 s ASP 359 Ca 0.54 -1.32 -0.18 0.00 2.13 0.00 0.00 52.55 53.73 1xs2 s ASP 359 Cb -0.41 -2.41 -0.15 0.00 -1.45 0.00 0.00 42.92 38.50 1xs2 s ASP 359 CO 0.49 -1.31 1.28 0.03 0.13 0.00 0.00 175.17 175.79 1xs2 h ARG 360 N 9.34 0.52 -0.22 4.34 2.47 -1.92 0.00 114.38 128.91 1xs2 h ARG 360 Ca -0.16 -0.36 0.06 0.00 -1.26 0.00 0.00 59.98 58.26 1xs2 h ARG 360 Cb 1.06 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.37 1xs2 h ARG 360 CO 1.16 0.98 -0.21 0.93 0.56 0.00 0.00 179.97 183.39 1xs2 h GLU 361 N 0.14 -0.21 -0.44 0.04 5.08 -1.99 -0.95 114.58 116.25 1xs2 h GLU 361 Ca -0.01 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1xs2 h GLU 361 Cb 1.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1xs2 h GLU 361 CO 0.08 -0.14 0.02 0.35 -1.00 0.00 0.00 179.01 178.33 1xs2 h PHE 362 N -0.22 0.82 -0.82 4.33 3.04 -1.91 -2.59 116.94 119.59 1xs2 h PHE 362 Ca 0.13 -0.13 0.07 0.00 3.98 0.00 0.00 57.97 62.01 1xs2 h PHE 362 Cb 0.42 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 1xs2 h PHE 362 CO -0.36 0.80 0.54 1.25 -2.02 0.00 0.00 178.31 178.52 1xs2 h LEU 363 N 0.61 0.79 -1.13 0.59 5.85 -0.88 -2.35 115.31 118.79 1xs2 h LEU 363 Ca 0.13 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1xs2 h LEU 363 Cb 0.46 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1xs2 h LEU 363 CO 0.02 0.51 0.59 0.00 -0.34 0.00 0.00 178.44 179.22 1xs2 h ALA 364 N 1.56 1.45 0.00 1.25 0.00 -0.76 -0.79 119.26 121.96 1xs2 h ALA 364 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xs2 h ALA 364 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xs2 h ALA 364 CO -0.13 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.82 1xs2 n THR 365 N -4.46 0.67 -0.01 0.00 -2.24 -0.89 -3.14 114.28 104.22 1xs2 n THR 365 Ca 0.13 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1xs2 n THR 365 Cb 0.13 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1xs2 n THR 365 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xs2 n VAL 366 N -2.04 0.95 -2.37 2.28 0.24 -0.76 -5.02 118.33 111.60 1xs2 n VAL 366 Ca 0.04 -0.97 -0.42 0.00 -2.04 0.00 0.00 64.34 60.95 1xs2 n VAL 366 Cb 0.30 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 1xs2 n VAL 366 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1xs2 s THR 367 N -0.95 3.87 -0.48 3.34 2.01 -0.38 -1.58 115.64 121.47 1xs2 s THR 367 Ca 0.01 1.35 0.11 0.00 0.31 0.00 0.00 61.69 63.47 1xs2 s THR 367 Cb 0.01 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 1xs2 s THR 367 CO 0.01 0.11 0.45 -1.84 -0.69 0.00 0.00 174.62 172.66 1xs2 n GLU 368 N 3.83 3.28 -3.57 4.92 0.28 -0.31 -4.94 120.64 124.13 1xs2 n GLU 368 Ca 0.09 -0.01 -0.16 0.00 -0.16 0.00 0.00 57.16 56.93 1xs2 n GLU 368 Cb 0.45 -1.02 -0.06 0.00 1.43 0.00 0.00 31.44 32.24 1xs2 n GLU 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xs2 s ALA 369 N -2.06 -1.78 -0.08 -1.84 0.00 -1.16 -5.00 121.76 109.84 1xs2 s ALA 369 Ca 0.04 1.67 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 1xs2 s ALA 369 Cb 0.08 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1xs2 s ALA 369 CO 0.44 -0.35 0.54 1.14 0.00 0.00 0.00 175.76 177.53 1xs2 s GLN 370 N -0.43 0.85 0.02 0.00 -2.07 -1.26 -1.12 119.66 115.65 1xs2 s GLN 370 Ca -0.05 0.25 -0.06 0.00 -1.82 0.00 0.00 55.36 53.68 1xs2 s GLN 370 Cb -0.02 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1xs2 s GLN 370 CO 0.05 -0.23 0.10 -1.21 -1.32 0.00 0.00 175.29 172.68 1xs2 s GLU 371 N -0.88 0.50 -0.03 9.60 2.02 -0.57 -5.00 118.70 124.33 1xs2 s GLU 371 Ca -0.09 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.40 1xs2 s GLU 371 Cb -0.03 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 1xs2 s GLU 371 CO 0.06 -0.12 -0.23 -2.00 0.02 0.00 0.00 175.26 172.99 1xs2 s GLU 372 N -1.84 2.29 -0.04 1.61 2.12 -1.26 -2.00 118.70 119.58 1xs2 s GLU 372 Ca -0.11 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.39 1xs2 s GLU 372 Cb -0.06 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1xs2 s GLU 372 CO -0.01 0.53 -0.19 -1.01 -0.54 0.00 0.00 175.26 174.04 1xs2 s HIS 373 N -0.53 1.87 0.30 5.30 3.76 0.40 -4.99 115.29 121.40 1xs2 s HIS 373 Ca 0.07 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 1xs2 s HIS 373 Cb -0.11 -1.25 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 1xs2 s HIS 373 CO 0.00 -0.16 -0.01 1.03 -0.85 0.00 0.00 174.74 174.75 1xs2 s ARG 374 N -0.05 1.59 0.00 1.40 0.52 -1.26 -1.74 118.95 119.41 1xs2 s ARG 374 Ca -0.03 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 1xs2 s ARG 374 Cb -0.12 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.32 1xs2 s ARG 374 CO 0.02 -0.06 0.01 0.00 0.02 0.00 0.00 175.30 175.30