#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh0 s THR 7 N 0.00 3.02 -0.12 2.61 -1.32 -1.26 -0.31 115.64 118.26 1sh0 s THR 7 Ca 0.00 -1.28 -0.04 0.00 -1.21 0.00 0.00 61.69 59.16 1sh0 s THR 7 Cb 0.00 -2.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 1sh0 s THR 7 CO 0.00 0.20 0.12 -0.47 -2.21 0.00 0.00 174.62 172.26 1sh0 s TYR 8 N -1.08 -0.01 -1.40 9.09 5.04 0.13 -4.85 117.35 124.27 1sh0 s TYR 8 Ca 0.18 0.14 -0.08 0.00 -2.44 0.00 0.00 57.07 54.87 1sh0 s TYR 8 Cb -0.11 -0.48 0.05 0.00 0.35 0.00 0.00 41.96 41.77 1sh0 s TYR 8 CO 0.09 -0.39 0.60 0.00 -1.34 0.00 0.00 175.55 174.51 1sh0 n GLY 10 N -1.36 0.76 3.49 0.00 0.00 -1.26 -4.42 105.19 102.41 1sh0 n GLY 10 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1sh0 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh0 s ALA 11 N -3.01 2.71 0.34 4.61 0.00 0.05 -4.96 121.76 121.50 1sh0 s ALA 11 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1sh0 s ALA 11 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.02 1sh0 s ALA 11 CO 0.00 0.56 1.45 -2.14 0.00 0.00 0.00 175.76 175.63 1sh0 s PRO 12 N -0.79 4.19 0.02 0.00 0.02 -1.26 0.22 135.00 137.40 1sh0 s PRO 12 Ca 0.12 2.45 -0.24 0.00 0.02 0.00 0.00 61.00 63.35 1sh0 s PRO 12 Cb -0.11 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1sh0 s PRO 12 CO 0.01 -0.45 0.74 0.42 -0.33 0.00 0.00 177.00 177.39 1sh0 s ILE 13 N -0.81 4.81 -0.03 2.83 1.01 0.58 -1.73 121.20 127.86 1sh0 s ILE 13 Ca 0.54 1.55 0.16 0.00 0.00 0.00 0.00 60.65 62.90 1sh0 s ILE 13 Cb -0.44 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 37.70 1sh0 s ILE 13 CO 0.56 0.35 0.33 0.18 0.00 0.00 0.00 174.94 176.35 1sh0 n LEU 14 N 2.98 0.00 0.00 2.97 4.77 0.87 -4.97 117.00 123.63 1sh0 n LEU 14 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sh0 n LEU 14 Cb 0.51 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1sh0 n LEU 14 CO 0.47 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1sh0 n GLY 15 N 1.64 -0.93 3.86 -0.72 0.00 -1.11 -4.99 105.19 102.94 1sh0 n GLY 15 Ca -0.04 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1sh0 n GLY 15 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh0 s PRO 16 N -1.30 3.26 0.54 1.61 0.02 -1.26 -0.70 135.00 137.17 1sh0 s PRO 16 Ca 0.00 0.70 -0.16 0.00 0.02 0.00 0.00 61.00 61.57 1sh0 s PRO 16 Cb 0.00 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1sh0 s PRO 16 CO 0.00 -0.80 1.01 0.20 -0.33 0.00 0.00 177.00 177.08 1sh0 s GLY 17 N -4.16 2.05 0.00 0.52 0.00 -1.23 -3.55 107.32 100.95 1sh0 s GLY 17 Ca 0.56 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1sh0 s GLY 17 CO 0.54 0.50 0.00 1.44 0.00 0.00 0.00 173.10 175.58 1sh0 n SER 18 N -1.79 0.03 -4.77 1.64 7.64 -1.26 -4.96 113.62 110.14 1sh0 n SER 18 Ca 0.07 -0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 1sh0 n SER 18 Cb 0.54 0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.96 1sh0 n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sh0 s ALA 19 N -0.21 2.64 0.81 -0.43 0.00 -1.26 -5.01 121.76 118.30 1sh0 s ALA 19 Ca 0.00 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1sh0 s ALA 19 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1sh0 s ALA 19 CO 0.00 -0.90 0.76 -0.35 0.00 0.00 0.00 175.76 175.27 1sh0 n PRO 20 N -1.53 0.12 -1.69 0.00 -0.04 -1.26 -4.88 135.00 125.72 1sh0 n PRO 20 Ca 0.12 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1sh0 n PRO 20 Cb 0.51 -2.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1sh0 n PRO 20 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1sh0 n LYS 21 N -1.93 2.08 -1.74 0.54 4.81 -1.26 -4.92 118.16 115.75 1sh0 n LYS 21 Ca 0.11 0.73 -0.41 0.00 -0.87 0.00 0.00 58.31 57.87 1sh0 n LYS 21 Cb 0.51 -2.31 0.01 0.00 0.02 0.00 0.00 35.03 33.25 1sh0 n LYS 21 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sh0 n LEU 22 N 0.73 4.43 -4.75 3.14 4.32 -1.26 -4.91 117.00 118.71 1sh0 n LEU 22 Ca 0.05 1.17 -0.41 0.00 -0.02 0.00 0.00 56.01 56.79 1sh0 n LEU 22 Cb 0.36 -1.56 -0.02 0.00 -1.62 0.00 0.00 43.42 40.58 1sh0 n LEU 22 CO 0.62 -0.26 1.12 -0.55 -1.22 0.00 0.00 177.39 177.10 1sh0 s SER 23 N -0.36 6.58 -0.15 -1.43 0.15 -1.26 -4.92 113.70 112.31 1sh0 s SER 23 Ca 0.58 2.77 0.15 0.00 0.70 0.00 0.00 55.95 60.15 1sh0 s SER 23 Cb -0.50 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 61.73 1sh0 s SER 23 CO 0.60 -0.74 1.46 0.35 1.20 0.00 0.00 173.24 176.11 1sh0 n THR 24 N 1.92 2.08 -4.39 6.45 -2.24 -1.26 -4.91 114.28 111.92 1sh0 n THR 24 Ca 0.06 -1.59 -0.24 0.00 -2.27 0.00 0.00 64.05 60.01 1sh0 n THR 24 Cb 0.40 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 1sh0 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sh0 s LYS 25 N -2.39 1.98 0.13 -0.78 1.02 -1.26 -4.75 119.74 113.68 1sh0 s LYS 25 Ca 0.41 -1.64 0.06 0.00 0.02 0.00 0.00 55.97 54.82 1sh0 s LYS 25 Cb 0.31 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 1sh0 s LYS 25 CO 0.13 0.30 -0.13 -0.08 -0.92 0.00 0.00 175.35 174.65 1sh0 s THR 26 N -2.45 1.29 -2.53 2.17 -1.32 0.04 -4.91 115.64 107.94 1sh0 s THR 26 Ca 0.31 -1.81 0.23 0.00 -1.21 0.00 0.00 61.69 59.22 1sh0 s THR 26 Cb -0.04 -1.61 0.40 0.00 -1.51 0.00 0.00 72.50 69.74 1sh0 s THR 26 CO 0.18 -0.50 1.41 2.29 -2.21 0.00 0.00 174.62 175.79 1sh0 n LYS 27 N 0.34 2.35 -3.49 7.08 2.85 -1.26 -1.42 118.16 124.60 1sh0 n LYS 27 Ca -0.14 -2.03 -0.37 0.00 -1.05 0.00 0.00 58.31 54.72 1sh0 n LYS 27 Cb 0.58 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.40 1sh0 n LYS 27 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1sh0 s PHE 28 N -1.62 3.49 0.09 5.58 0.08 -1.26 -0.51 117.98 123.82 1sh0 s PHE 28 Ca 0.36 0.68 0.07 0.00 0.12 0.00 0.00 56.93 58.16 1sh0 s PHE 28 Cb 0.22 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1sh0 s PHE 28 CO 0.31 0.25 -0.19 -1.58 -0.10 0.00 0.00 175.22 173.91 1sh0 s TRP 29 N 0.40 1.59 0.40 0.36 0.52 -0.18 -4.72 118.94 117.31 1sh0 s TRP 29 Ca 0.19 -0.43 -0.27 0.00 0.02 0.00 0.00 56.10 55.61 1sh0 s TRP 29 Cb -0.14 -0.88 -0.10 0.00 -1.15 0.00 0.00 33.47 31.21 1sh0 s TRP 29 CO 0.06 0.15 1.44 1.03 0.02 0.00 0.00 176.95 179.64 1sh0 s ARG 30 N -1.82 3.95 0.26 4.98 1.81 -0.80 -1.02 118.95 126.31 1sh0 s ARG 30 Ca 0.04 2.45 0.22 0.00 -1.72 0.00 0.00 55.73 56.72 1sh0 s ARG 30 Cb -0.10 -2.84 0.08 0.00 -0.45 0.00 0.00 34.95 31.64 1sh0 s ARG 30 CO 0.03 -0.61 1.18 0.66 -0.68 0.00 0.00 175.30 175.89 1sh0 h SER 31 N 2.74 0.00 -2.61 0.23 4.64 -1.28 -0.72 113.55 116.55 1sh0 h SER 31 Ca -0.51 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1sh0 h SER 31 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sh0 h SER 31 CO 0.63 0.07 0.18 -1.54 -0.87 0.00 0.00 176.83 175.29 1sh0 n SER 32 N -2.82 -1.68 -0.48 4.97 3.41 -1.26 -4.75 113.62 111.00 1sh0 n SER 32 Ca 0.00 -2.24 0.11 0.00 -0.26 0.00 0.00 58.87 56.48 1sh0 n SER 32 Cb 0.58 2.83 0.43 0.00 -0.26 0.00 0.00 64.21 67.78 1sh0 n SER 32 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sh0 n THR 33 N -0.41 0.15 -1.64 6.66 -2.24 -1.26 -4.91 114.28 110.63 1sh0 n THR 33 Ca -0.06 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1sh0 n THR 33 Cb 0.45 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1sh0 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh0 n ALA 34 N 0.17 0.54 -1.73 6.98 0.00 -1.26 -4.88 120.51 120.34 1sh0 n ALA 34 Ca 0.17 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1sh0 n ALA 34 Cb 0.31 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 1sh0 n ALA 34 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sh0 n PRO 35 N 0.21 2.46 -2.75 0.00 -0.02 -1.26 -4.93 135.00 128.71 1sh0 n PRO 35 Ca 0.08 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.00 1sh0 n PRO 35 Cb 0.38 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1sh0 n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sh0 s LEU 36 N -0.86 3.92 0.26 2.45 2.96 -1.26 -5.00 118.68 121.15 1sh0 s LEU 36 Ca 0.60 0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 54.75 1sh0 s LEU 36 Cb -0.53 -3.34 -0.11 0.00 0.50 0.00 0.00 46.19 42.70 1sh0 s LEU 36 CO 0.55 -0.97 1.61 -2.84 -1.32 0.00 0.00 176.35 173.38 1sh0 s PRO 37 N 3.74 4.14 0.23 0.98 0.02 -1.26 -4.91 135.00 137.93 1sh0 s PRO 37 Ca 0.41 2.56 -0.28 0.00 0.02 0.00 0.00 61.00 63.70 1sh0 s PRO 37 Cb -0.11 -3.05 -0.16 0.00 0.02 0.00 0.00 34.50 31.21 1sh0 s PRO 37 CO 0.22 -0.65 0.71 -2.30 -0.33 0.00 0.00 177.00 174.66 1sh0 n PRO 38 N 2.69 0.50 0.00 5.54 -0.02 -1.26 -1.99 135.00 140.46 1sh0 n PRO 38 Ca 0.10 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1sh0 n PRO 38 Cb 0.37 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1sh0 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh0 n GLY 39 N 1.72 3.17 3.72 -1.23 0.00 -1.26 -5.03 105.19 106.28 1sh0 n GLY 39 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sh0 n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sh0 n THR 40 N -1.66 1.38 -1.75 2.61 -1.04 -0.84 -4.71 114.28 108.27 1sh0 n THR 40 Ca 0.00 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.05 61.28 1sh0 n THR 40 Cb 0.00 -1.78 0.05 0.00 -1.82 0.00 0.00 70.33 66.78 1sh0 n THR 40 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sh0 s TYR 41 N -0.44 2.20 0.26 -1.42 1.51 -1.26 -4.64 117.35 113.57 1sh0 s TYR 41 Ca 0.61 1.39 0.07 0.00 -1.01 0.00 0.00 57.07 58.12 1sh0 s TYR 41 Cb -0.54 -3.81 -0.05 0.00 -0.11 0.00 0.00 41.96 37.45 1sh0 s TYR 41 CO 0.54 -2.99 -0.08 -1.21 -1.11 0.00 0.00 175.55 170.70 1sh0 s GLU 42 N -3.02 1.48 0.40 -0.62 2.02 -0.47 -4.78 118.70 113.71 1sh0 s GLU 42 Ca 0.74 -1.73 -0.27 0.00 0.02 0.00 0.00 54.97 53.74 1sh0 s GLU 42 Cb -0.41 -1.11 -0.10 0.00 0.10 0.00 0.00 34.13 32.61 1sh0 s GLU 42 CO 0.47 0.07 1.41 -2.30 0.02 0.00 0.00 175.26 174.93 1sh0 n PRO 43 N -0.52 2.38 -1.41 0.39 -0.02 -1.26 -0.23 135.00 134.33 1sh0 n PRO 43 Ca -0.06 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1sh0 n PRO 43 Cb 0.63 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1sh0 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh0 n ALA 44 N 0.17 -0.38 -1.51 3.55 0.00 -0.36 -4.81 120.51 117.18 1sh0 n ALA 44 Ca 0.03 -0.15 -0.52 0.00 0.00 0.00 0.00 53.44 52.81 1sh0 n ALA 44 Cb 0.39 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 1sh0 n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sh0 n TYR 45 N -2.28 0.62 0.96 0.00 9.36 -1.26 -4.92 117.16 119.64 1sh0 n TYR 45 Ca 0.13 0.89 0.11 0.00 3.32 0.00 0.00 57.90 62.34 1sh0 n TYR 45 Cb 0.49 -2.13 0.04 0.00 -0.63 0.00 0.00 39.34 37.11 1sh0 n TYR 45 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1sh0 n LEU 46 N 1.84 2.42 0.00 2.98 4.77 -1.26 -5.04 117.00 122.71 1sh0 n LEU 46 Ca 0.18 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1sh0 n LEU 46 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1sh0 n LEU 46 CO 0.60 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1sh0 n GLY 47 N 1.34 -0.97 0.16 -0.72 0.00 -1.26 -4.43 105.19 99.31 1sh0 n GLY 47 Ca 0.11 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1sh0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh0 n GLY 48 N 0.00 -0.84 0.25 -0.02 0.00 -1.25 -1.89 105.19 101.43 1sh0 n GLY 48 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1sh0 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sh0 n LYS 49 N -2.22 1.81 -1.59 1.61 5.02 -1.26 -4.50 118.16 117.03 1sh0 n LYS 49 Ca -0.01 -0.68 -0.58 0.00 -2.02 0.00 0.00 58.31 55.02 1sh0 n LYS 49 Cb 0.04 -1.09 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1sh0 n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sh0 n ASP 50 N -0.12 1.93 0.11 4.39 -0.08 -0.79 -4.80 116.55 117.19 1sh0 n ASP 50 Ca 0.04 0.89 0.09 0.00 -1.51 0.00 0.00 54.79 54.30 1sh0 n ASP 50 Cb 0.21 -1.09 0.43 0.00 2.34 0.00 0.00 41.12 43.01 1sh0 n ASP 50 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1sh0 n PRO 51 N 6.15 0.12 0.08 -0.67 -0.04 -1.26 -2.18 135.00 137.20 1sh0 n PRO 51 Ca 0.35 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.41 1sh0 n PRO 51 Cb 0.10 -1.80 0.24 0.00 -0.04 0.00 0.00 33.50 32.00 1sh0 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sh0 h ARG 52 N 0.00 0.00 -3.90 0.54 3.08 -1.95 -3.45 114.38 108.70 1sh0 h ARG 52 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 1sh0 h ARG 52 Cb 0.18 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.88 1sh0 h ARG 52 CO 0.00 0.00 -0.77 0.08 -1.07 0.00 0.00 179.97 178.21 1sh0 s VAL 53 N -3.15 0.46 -0.45 2.04 1.01 -0.92 -4.98 120.40 114.41 1sh0 s VAL 53 Ca 0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 1sh0 s VAL 53 Cb 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1sh0 s VAL 53 CO 0.68 0.23 0.79 -0.54 0.00 0.00 0.00 175.10 176.26 1sh0 s LYS 54 N 1.26 3.42 -0.95 2.72 1.02 -1.26 -4.31 119.74 121.64 1sh0 s LYS 54 Ca -0.06 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1sh0 s LYS 54 Cb -0.14 -3.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1sh0 s LYS 54 CO -0.02 -1.11 0.36 0.41 -0.92 0.00 0.00 175.35 174.08 1sh0 n GLY 55 N 4.96 -0.05 2.30 -3.33 0.00 -1.26 -5.01 105.19 102.80 1sh0 n GLY 55 Ca 0.02 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1sh0 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh0 n GLY 56 N -1.22 -2.46 3.78 -0.02 0.00 -1.26 -5.00 105.19 99.01 1sh0 n GLY 56 Ca -0.07 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1sh0 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh0 s PRO 57 N -4.65 2.89 0.77 1.61 0.04 -1.26 -4.59 135.00 129.82 1sh0 s PRO 57 Ca 0.46 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1sh0 s PRO 57 Cb -0.04 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1sh0 s PRO 57 CO 0.35 -1.16 1.18 -1.54 0.04 0.00 0.00 177.00 175.87 1sh0 s SER 58 N -2.86 4.02 0.55 6.66 1.04 -1.26 -3.96 113.70 117.90 1sh0 s SER 58 Ca 0.64 2.26 0.31 0.00 0.48 0.00 0.00 55.95 59.64 1sh0 s SER 58 Cb -0.18 -2.58 1.62 0.00 0.10 0.00 0.00 66.02 64.99 1sh0 s SER 58 CO 0.43 -2.37 2.12 -0.07 0.98 0.00 0.00 173.24 174.33 1sh0 h LEU 59 N -0.66 0.00 -0.43 2.42 3.38 -1.95 -2.07 115.31 116.01 1sh0 h LEU 59 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1sh0 h LEU 59 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1sh0 h LEU 59 CO 0.48 0.08 0.18 1.56 0.09 0.00 0.00 178.44 180.83 1sh0 h GLN 60 N 0.00 0.63 -0.52 1.13 7.50 -1.93 0.10 115.11 122.02 1sh0 h GLN 60 Ca -0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 58.65 58.95 1sh0 h GLN 60 Cb 0.29 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1sh0 h GLN 60 CO 0.01 0.57 -0.05 0.37 -1.50 0.00 0.00 178.83 178.24 1sh0 h GLN 61 N 0.55 0.93 -0.73 1.46 5.75 -1.79 -0.90 115.11 120.37 1sh0 h GLN 61 Ca 0.14 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1sh0 h GLN 61 Cb 0.17 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1sh0 h GLN 61 CO -0.01 0.95 0.20 0.28 -2.65 0.00 0.00 178.83 177.60 1sh0 h VAL 62 N 0.84 1.26 -0.68 2.39 2.07 -1.06 -2.62 116.25 118.45 1sh0 h VAL 62 Ca 0.15 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1sh0 h VAL 62 Cb 0.57 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1sh0 h VAL 62 CO 0.03 0.37 0.28 -0.03 0.02 0.00 0.00 177.57 178.24 1sh0 h MET 63 N 1.10 1.02 -0.59 1.57 1.85 -0.57 -3.10 114.93 116.20 1sh0 h MET 63 Ca 0.23 -0.18 0.12 0.00 -0.61 0.00 0.00 59.70 59.26 1sh0 h MET 63 Cb 0.34 -0.17 -0.12 0.00 0.43 0.00 0.00 31.60 32.09 1sh0 h MET 63 CO -0.00 0.84 -0.21 0.00 -0.40 0.00 0.00 176.91 177.13 1sh0 h ARG 64 N 0.96 -0.06 -0.36 0.39 3.08 -0.79 -0.32 114.38 117.28 1sh0 h ARG 64 Ca 0.23 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1sh0 h ARG 64 Cb 0.20 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1sh0 h ARG 64 CO -0.02 -0.04 0.24 -0.44 -1.07 0.00 0.00 179.97 178.64 1sh0 h ASP 65 N -0.07 0.18 0.78 7.04 3.32 -1.45 -1.51 116.42 124.72 1sh0 h ASP 65 Ca 0.27 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1sh0 h ASP 65 Cb 0.49 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1sh0 h ASP 65 CO -0.64 0.12 -0.59 1.56 -1.72 0.00 0.00 179.24 177.97 1sh0 h GLN 66 N 0.21 0.00 -0.06 3.56 1.08 -1.12 -3.28 115.11 115.50 1sh0 h GLN 66 Ca 0.16 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.17 1sh0 h GLN 66 Cb 0.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1sh0 h GLN 66 CO -0.03 0.59 -0.76 -0.07 -0.95 0.00 0.00 178.83 177.61 1sh0 h LEU 67 N 0.00 0.44 -0.69 1.46 3.38 -0.97 -3.36 115.31 115.58 1sh0 h LEU 67 Ca -0.01 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1sh0 h LEU 67 Cb 1.14 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1sh0 h LEU 67 CO 0.08 1.05 0.34 0.11 0.09 0.00 0.00 178.44 180.10 1sh0 h LYS 68 N 0.24 0.58 -0.88 1.13 1.57 -1.60 -1.21 116.57 116.39 1sh0 h LYS 68 Ca -0.03 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.87 1sh0 h LYS 68 Cb 1.34 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 1sh0 h LYS 68 CO 0.13 0.38 0.57 -1.35 -0.57 0.00 0.00 179.45 178.61 1sh0 h PRO 69 N 0.59 0.59 0.00 3.15 0.11 -1.78 0.70 132.00 135.37 1sh0 h PRO 69 Ca 0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1sh0 h PRO 69 Cb 0.33 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1sh0 h PRO 69 CO -0.25 0.39 0.00 1.19 -0.21 0.00 0.00 178.00 179.12 1sh0 n PHE 70 N -4.55 0.65 0.23 0.65 3.01 -0.46 -3.20 117.46 113.78 1sh0 n PHE 70 Ca 0.18 0.26 0.08 0.00 1.01 0.00 0.00 57.45 58.97 1sh0 n PHE 70 Cb 0.53 -0.92 -0.11 0.00 -0.01 0.00 0.00 39.48 38.97 1sh0 n PHE 70 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1sh0 n THR 71 N -2.10 0.00 -1.38 4.37 5.66 0.16 -4.42 114.28 116.58 1sh0 n THR 71 Ca 0.02 -0.29 -0.31 0.00 -3.05 0.00 0.00 64.05 60.43 1sh0 n THR 71 Cb 0.21 0.43 0.09 0.00 -1.55 0.00 0.00 70.33 69.51 1sh0 n THR 71 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1sh0 s GLU 72 N -2.86 2.22 0.42 1.09 2.02 -0.74 -4.97 118.70 115.89 1sh0 s GLU 72 Ca -0.02 0.96 -0.24 0.00 0.02 0.00 0.00 54.97 55.69 1sh0 s GLU 72 Cb 0.10 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.32 1sh0 s GLU 72 CO 0.64 -1.61 0.96 -2.30 0.02 0.00 0.00 175.26 172.97 1sh0 n PRO 73 N -3.47 1.25 -1.93 0.39 -0.02 -1.26 -5.00 135.00 124.96 1sh0 n PRO 73 Ca 0.08 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 1sh0 n PRO 73 Cb 0.54 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1sh0 n PRO 73 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sh0 s ARG 74 N -2.00 3.28 0.54 -0.52 6.06 -1.26 -5.10 118.95 119.96 1sh0 s ARG 74 Ca 0.64 0.59 -0.09 0.00 -2.50 0.00 0.00 55.73 54.36 1sh0 s ARG 74 Cb -0.56 -2.08 0.13 0.00 0.06 0.00 0.00 34.95 32.50 1sh0 s ARG 74 CO 0.56 -0.74 0.64 0.41 -2.50 0.00 0.00 175.30 173.68 1sh0 n GLY 75 N -2.82 -1.71 3.76 8.12 0.00 -1.26 -4.95 105.19 106.33 1sh0 n GLY 75 Ca 0.06 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1sh0 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh0 s LYS 76 N -4.42 4.60 0.60 1.61 2.20 0.13 -4.81 119.74 119.65 1sh0 s LYS 76 Ca 0.38 1.20 -0.17 0.00 -0.36 0.00 0.00 55.97 57.03 1sh0 s LYS 76 Cb -0.02 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1sh0 s LYS 76 CO 0.27 0.49 1.10 -1.25 -0.36 0.00 0.00 175.35 175.60 1sh0 s PRO 77 N -0.87 3.14 0.61 4.03 0.04 -1.26 -3.97 135.00 136.71 1sh0 s PRO 77 Ca 0.38 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1sh0 s PRO 77 Cb -0.23 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1sh0 s PRO 77 CO 0.27 -0.98 1.31 -2.30 0.04 0.00 0.00 177.00 175.34 1sh0 n PRO 78 N -1.95 1.33 -0.75 0.56 -0.02 -1.26 -4.81 135.00 128.10 1sh0 n PRO 78 Ca 0.10 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1sh0 n PRO 78 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1sh0 n PRO 78 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sh0 n LYS 79 N -1.56 0.00 -0.34 -0.52 4.81 -1.26 -4.64 118.16 114.65 1sh0 n LYS 79 Ca 0.14 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.77 1sh0 n LYS 79 Cb 0.47 -0.79 0.41 0.00 0.02 0.00 0.00 35.03 35.14 1sh0 n LYS 79 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1sh0 h PRO 80 N 3.99 0.51 -0.73 1.64 0.11 -2.00 0.26 132.00 135.78 1sh0 h PRO 80 Ca -0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1sh0 h PRO 80 Cb 0.74 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 1sh0 h PRO 80 CO 0.55 0.33 0.45 1.03 -0.21 0.00 0.00 178.00 180.15 1sh0 h SER 81 N 0.52 0.87 0.57 -2.05 0.87 -2.00 -2.00 113.55 110.33 1sh0 h SER 81 Ca 0.67 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.98 1sh0 h SER 81 Cb 1.33 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1sh0 h SER 81 CO -0.51 0.67 -0.83 -0.37 -0.53 0.00 0.00 176.83 175.26 1sh0 h VAL 82 N 1.00 1.49 -0.42 2.23 -1.51 -0.86 -2.51 116.25 115.66 1sh0 h VAL 82 Ca 0.26 -2.54 -0.05 0.00 -1.23 0.00 0.00 66.70 63.15 1sh0 h VAL 82 Cb -0.04 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 1sh0 h VAL 82 CO -0.05 0.74 0.08 0.25 -1.23 0.00 0.00 177.57 177.36 1sh0 h LEU 83 N 0.11 0.66 -0.19 4.19 5.85 -1.14 0.11 115.31 124.90 1sh0 h LEU 83 Ca -0.04 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1sh0 h LEU 83 Cb 1.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1sh0 h LEU 83 CO 0.13 0.74 0.12 -0.08 -0.34 0.00 0.00 178.44 179.00 1sh0 h GLU 84 N 0.55 0.23 -0.66 1.25 4.57 -1.36 0.06 114.58 119.22 1sh0 h GLU 84 Ca 0.13 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 1sh0 h GLU 84 Cb 0.35 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1sh0 h GLU 84 CO 0.01 0.16 0.09 0.00 -1.18 0.00 0.00 179.01 178.08 1sh0 h ALA 85 N 1.08 0.90 -0.49 2.92 0.00 -1.32 -1.08 119.26 121.27 1sh0 h ALA 85 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1sh0 h ALA 85 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1sh0 h ALA 85 CO -0.03 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.07 1sh0 h ALA 86 N 1.05 0.64 -0.32 0.00 0.00 -0.53 0.25 119.26 120.36 1sh0 h ALA 86 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1sh0 h ALA 86 Cb 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1sh0 h ALA 86 CO 0.02 0.27 0.11 -0.22 0.00 0.00 0.00 179.25 179.42 1sh0 h LYS 87 N 0.65 0.23 -0.69 0.00 3.64 -0.86 -1.36 116.57 118.18 1sh0 h LYS 87 Ca 0.16 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1sh0 h LYS 87 Cb 0.24 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1sh0 h LYS 87 CO -0.01 0.15 0.42 -0.22 -2.27 0.00 0.00 179.45 177.52 1sh0 h LYS 88 N 0.24 0.77 -0.71 1.90 1.63 -0.75 -0.80 116.57 118.86 1sh0 h LYS 88 Ca 0.14 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1sh0 h LYS 88 Cb 0.12 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1sh0 h LYS 88 CO -0.15 0.51 0.45 1.15 -3.45 0.00 0.00 179.45 177.96 1sh0 h THR 89 N 0.80 1.12 -0.00 1.00 2.02 -0.07 -0.03 112.91 117.75 1sh0 h THR 89 Ca 0.29 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1sh0 h THR 89 Cb 0.09 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1sh0 h THR 89 CO -0.14 0.16 -0.00 0.40 0.37 0.00 0.00 175.52 176.32 1sh0 h ILE 90 N 0.89 1.27 -0.73 3.11 2.04 -0.82 -1.53 117.51 121.74 1sh0 h ILE 90 Ca 0.28 -0.79 0.15 0.00 1.00 0.00 0.00 64.86 65.50 1sh0 h ILE 90 Cb -0.02 1.80 -0.11 0.00 -0.74 0.00 0.00 36.82 37.76 1sh0 h ILE 90 CO -0.09 0.20 0.20 0.40 0.00 0.00 0.00 178.15 178.86 1sh0 h ILE 91 N -0.33 0.55 -0.50 -0.67 2.04 -1.00 0.43 117.51 118.02 1sh0 h ILE 91 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1sh0 h ILE 91 Cb 0.34 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1sh0 h ILE 91 CO 0.00 0.05 0.21 0.78 0.00 0.00 0.00 178.15 179.20 1sh0 h ASN 92 N 0.30 0.69 -0.19 1.72 -0.26 -0.82 0.23 115.58 117.24 1sh0 h ASN 92 Ca 0.41 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 1sh0 h ASN 92 Cb 0.68 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 1sh0 h ASN 92 CO -0.48 0.66 0.08 0.58 -1.06 0.00 0.00 177.43 177.21 1sh0 h VAL 93 N 0.67 1.15 -0.48 2.81 2.07 -0.40 -2.62 116.25 119.45 1sh0 h VAL 93 Ca 0.17 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1sh0 h VAL 93 Cb 0.18 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1sh0 h VAL 93 CO -0.02 0.14 0.10 -0.07 0.02 0.00 0.00 177.57 177.74 1sh0 h LEU 94 N 0.16 0.68 -1.77 2.57 3.38 -0.81 -2.28 115.31 117.24 1sh0 h LEU 94 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1sh0 h LEU 94 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sh0 h LEU 94 CO -0.01 0.69 -0.13 -0.33 0.09 0.00 0.00 178.44 178.76 1sh0 h GLU 95 N 0.71 0.00 -0.02 1.13 5.08 -0.33 -0.54 114.58 120.61 1sh0 h GLU 95 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sh0 h GLU 95 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1sh0 h GLU 95 CO 0.00 0.13 -0.26 1.04 -1.00 0.00 0.00 179.01 178.92 1sh0 n GLN 96 N -4.34 1.65 -0.02 2.33 6.02 -1.01 -4.65 117.38 117.37 1sh0 n GLN 96 Ca -0.03 -1.33 -0.06 0.00 -0.01 0.00 0.00 57.00 55.57 1sh0 n GLN 96 Cb 0.20 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1sh0 n GLN 96 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1sh0 n THR 97 N 0.51 0.92 -3.81 5.09 -1.04 -0.88 -5.08 114.28 109.99 1sh0 n THR 97 Ca 0.11 0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 61.90 1sh0 n THR 97 Cb 0.49 -1.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 1sh0 n THR 97 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sh0 s ILE 98 N -2.23 5.31 0.50 12.58 -4.36 -0.26 -5.08 121.20 127.66 1sh0 s ILE 98 Ca -0.11 -0.12 -0.06 0.00 -0.26 0.00 0.00 60.65 60.10 1sh0 s ILE 98 Cb 0.03 -3.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.10 1sh0 s ILE 98 CO 0.15 0.18 0.82 -1.81 0.24 0.00 0.00 174.94 174.52 1sh0 s ASP 99 N -2.25 6.23 0.12 4.36 1.11 -1.26 -4.78 116.67 120.19 1sh0 s ASP 99 Ca 0.34 0.97 -0.34 0.00 0.18 0.00 0.00 52.55 53.71 1sh0 s ASP 99 Cb -0.13 -2.24 -0.13 0.00 1.07 0.00 0.00 42.92 41.49 1sh0 s ASP 99 CO 0.23 -0.64 1.66 -2.65 1.18 0.00 0.00 175.17 174.96 1sh0 n PRO 100 N -2.33 2.26 -1.86 8.23 -0.02 -1.26 -4.94 135.00 135.07 1sh0 n PRO 100 Ca 0.01 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 1sh0 n PRO 100 Cb 0.55 -2.62 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1sh0 n PRO 100 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sh0 s PRO 101 N 1.64 2.92 0.54 0.52 0.02 -1.26 -5.02 135.00 134.36 1sh0 s PRO 101 Ca 0.81 1.43 -0.20 0.00 0.02 0.00 0.00 61.00 63.06 1sh0 s PRO 101 Cb -0.65 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.85 1sh0 s PRO 101 CO 0.40 -1.16 1.16 -0.51 -0.33 0.00 0.00 177.00 176.56 1sh0 s ASP 102 N -2.43 5.65 0.52 2.53 1.01 -1.26 -4.57 116.67 118.11 1sh0 s ASP 102 Ca 0.68 2.26 -0.20 0.00 0.71 0.00 0.00 52.55 56.00 1sh0 s ASP 102 Cb -0.21 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 1sh0 s ASP 102 CO 0.39 -1.27 1.14 -0.54 0.21 0.00 0.00 175.17 175.09 1sh0 s LYS 103 N -3.20 3.44 -0.15 8.23 1.02 -1.26 -4.24 119.74 123.57 1sh0 s LYS 103 Ca 0.73 1.66 -0.03 0.00 0.02 0.00 0.00 55.97 58.35 1sh0 s LYS 103 Cb -0.27 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1sh0 s LYS 103 CO 0.30 -0.79 -0.07 -1.58 -0.92 0.00 0.00 175.35 172.29 1sh0 s TRP 104 N -1.71 2.95 0.92 3.18 0.52 -1.26 -4.95 118.94 118.60 1sh0 s TRP 104 Ca 0.71 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 56.24 1sh0 s TRP 104 Cb -0.25 -1.93 0.15 0.00 -1.15 0.00 0.00 33.47 30.29 1sh0 s TRP 104 CO 0.29 -0.12 1.20 -1.54 0.02 0.00 0.00 176.95 176.79 1sh0 s SER 105 N 0.43 3.44 0.23 2.95 1.04 -1.26 -4.84 113.70 115.69 1sh0 s SER 105 Ca -0.06 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 1sh0 s SER 105 Cb -0.15 -1.07 0.23 0.00 0.10 0.00 0.00 66.02 65.14 1sh0 s SER 105 CO 0.04 -2.57 1.89 0.15 0.98 0.00 0.00 173.24 173.72 1sh0 h PHE 106 N -1.52 1.06 -0.58 5.02 3.57 -1.99 -1.36 116.94 121.13 1sh0 h PHE 106 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.09 1sh0 h PHE 106 Cb 1.30 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1sh0 h PHE 106 CO -0.33 0.63 0.34 0.00 -2.23 0.00 0.00 178.31 176.72 1sh0 h ALA 107 N 1.34 0.76 -0.20 2.41 0.00 -1.93 -1.62 119.26 120.02 1sh0 h ALA 107 Ca 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1sh0 h ALA 107 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sh0 h ALA 107 CO -0.09 0.04 -0.05 1.96 0.00 0.00 0.00 179.25 181.11 1sh0 h GLN 108 N 0.66 0.39 -0.42 0.00 4.20 -1.84 -1.05 115.11 117.04 1sh0 h GLN 108 Ca 0.24 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1sh0 h GLN 108 Cb 0.07 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1sh0 h GLN 108 CO -0.13 0.64 0.09 0.00 -0.67 0.00 0.00 178.83 178.77 1sh0 h ALA 109 N 0.73 0.47 -0.29 3.87 0.00 -1.18 -1.58 119.26 121.28 1sh0 h ALA 109 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sh0 h ALA 109 Cb 0.51 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sh0 h ALA 109 CO 0.02 -0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.06 1sh0 h ALA 111 N 0.94 1.83 0.00 0.00 0.00 -0.92 -2.87 119.26 118.23 1sh0 h ALA 111 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sh0 h ALA 111 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sh0 h ALA 111 CO -0.00 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1sh0 h SER 112 N 0.65 0.00 -3.82 0.00 4.64 -1.07 -3.45 113.55 110.50 1sh0 h SER 112 Ca 0.34 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.17 1sh0 h SER 112 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1sh0 h SER 112 CO -0.12 0.00 0.41 -0.76 -0.87 0.00 0.00 176.83 175.48 1sh0 s LEU 113 N -4.81 4.50 -0.17 5.97 1.43 -1.08 -4.97 118.68 119.56 1sh0 s LEU 113 Ca 0.09 2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 1sh0 s LEU 113 Cb 0.11 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1sh0 s LEU 113 CO 0.57 -0.07 1.93 -0.62 0.23 0.00 0.00 176.35 178.39 1sh0 s ASP 114 N -1.17 6.03 0.13 2.29 -1.08 -1.26 -4.89 116.67 116.71 1sh0 s ASP 114 Ca 0.46 1.95 0.27 0.00 -0.52 0.00 0.00 52.55 54.70 1sh0 s ASP 114 Cb -0.27 -2.52 0.92 0.00 -1.46 0.00 0.00 42.92 39.59 1sh0 s ASP 114 CO 0.34 -1.49 1.79 0.29 0.52 0.00 0.00 175.17 176.62 1sh0 n LYS 115 N 8.08 0.17 0.09 4.34 4.76 -1.26 -3.69 118.16 130.65 1sh0 n LYS 115 Ca 0.23 0.13 0.13 0.00 -2.87 0.00 0.00 58.31 55.93 1sh0 n LYS 115 Cb 0.44 -1.69 0.45 0.00 -1.84 0.00 0.00 35.03 32.39 1sh0 n LYS 115 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sh0 n THR 116 N -1.98 0.50 -3.46 -0.18 -2.24 -1.26 -0.24 114.28 105.42 1sh0 n THR 116 Ca 0.06 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1sh0 n THR 116 Cb 0.40 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1sh0 n THR 116 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sh0 s THR 117 N -3.09 2.40 0.52 4.28 -4.23 -1.24 -4.82 115.64 109.45 1sh0 s THR 117 Ca 0.11 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1sh0 s THR 117 Cb 0.13 -2.66 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 1sh0 s THR 117 CO 0.58 0.00 1.09 -0.55 -0.54 0.00 0.00 174.62 175.19 1sh0 s SER 118 N -4.29 5.99 0.00 3.99 0.15 -1.26 -1.05 113.70 117.23 1sh0 s SER 118 Ca 0.49 2.05 0.28 0.00 0.70 0.00 0.00 55.95 59.46 1sh0 s SER 118 Cb -0.04 -2.57 1.45 0.00 -1.71 0.00 0.00 66.02 63.14 1sh0 s SER 118 CO 0.29 -1.03 1.96 -1.54 1.20 0.00 0.00 173.24 174.12 1sh0 n SER 119 N -1.19 0.00 0.00 5.45 3.41 0.11 -4.75 113.62 116.64 1sh0 n SER 119 Ca 0.10 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1sh0 n SER 119 Cb 0.52 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1sh0 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh0 n GLY 120 N 0.98 0.90 3.76 5.00 0.00 -1.26 -1.08 105.19 113.49 1sh0 n GLY 120 Ca 0.15 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1sh0 n GLY 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sh0 n HIS 121 N 0.00 2.84 1.04 1.61 -0.00 -1.26 0.04 115.22 119.49 1sh0 n HIS 121 Ca 0.00 0.46 0.11 0.00 -0.00 0.00 0.00 57.72 58.30 1sh0 n HIS 121 Cb 0.00 -2.51 0.04 0.00 -0.00 0.00 0.00 29.99 27.52 1sh0 n HIS 121 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sh0 n PRO 122 N 0.50 0.78 0.02 1.57 -0.04 -1.26 -4.29 135.00 132.28 1sh0 n PRO 122 Ca 0.02 -0.62 -0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1sh0 n PRO 122 Cb 0.38 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1sh0 n PRO 122 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sh0 n HIS 123 N -0.57 0.86 -4.00 0.54 8.25 -1.00 -4.99 115.22 114.31 1sh0 n HIS 123 Ca 0.08 0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 57.57 1sh0 n HIS 123 Cb 0.41 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.44 1sh0 n HIS 123 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sh0 n HIS 124 N -2.85 -1.60 -4.48 4.41 8.25 0.11 -4.97 115.22 114.08 1sh0 n HIS 124 Ca -0.11 0.73 -0.34 0.00 -0.26 0.00 0.00 57.72 57.74 1sh0 n HIS 124 Cb 0.85 -3.63 -0.10 0.00 1.12 0.00 0.00 29.99 28.23 1sh0 n HIS 124 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1sh0 s MET 125 N -6.65 2.89 0.05 -0.41 -1.94 -1.26 -4.79 119.30 107.19 1sh0 s MET 125 Ca 0.01 -0.47 -0.34 0.00 -1.71 0.00 0.00 55.69 53.18 1sh0 s MET 125 Cb -0.01 -2.71 -0.13 0.00 2.01 0.00 0.00 34.83 33.99 1sh0 s MET 125 CO 0.90 0.68 1.70 -2.13 -0.01 0.00 0.00 175.02 176.17 1sh0 n ARG 126 N 2.19 2.13 -0.35 2.03 0.63 -1.26 0.04 116.66 122.08 1sh0 n ARG 126 Ca -0.18 0.78 0.08 0.00 -0.92 0.00 0.00 57.85 57.61 1sh0 n ARG 126 Cb 0.53 -2.57 0.25 0.00 0.45 0.00 0.00 32.46 31.12 1sh0 n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1sh0 h LYS 127 N 7.30 0.88 -0.07 -0.14 1.57 -1.06 -0.89 116.57 124.16 1sh0 h LYS 127 Ca -0.46 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1sh0 h LYS 127 Cb 1.26 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1sh0 h LYS 127 CO 0.91 0.58 0.06 -0.97 -0.57 0.00 0.00 179.45 179.47 1sh0 h ASN 128 N 0.91 0.00 0.72 0.86 -1.24 -0.88 -1.66 115.58 114.29 1sh0 h ASN 128 Ca 0.51 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.52 1sh0 h ASN 128 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1sh0 h ASN 128 CO -0.30 0.00 0.00 0.44 -1.29 0.00 0.00 177.43 176.28 1sh0 h ASP 129 N 0.00 0.00 -1.08 1.15 5.19 -1.43 -3.21 116.42 117.04 1sh0 h ASP 129 Ca 0.03 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.96 1sh0 h ASP 129 Cb 0.15 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.25 1sh0 h ASP 129 CO -0.00 0.00 -0.91 0.00 -3.12 0.00 0.00 179.24 175.21 1sh0 s TRP 131 N -3.49 0.25 -2.44 0.00 -0.11 -1.21 -0.69 118.94 111.24 1sh0 s TRP 131 Ca 0.41 0.12 0.24 0.00 1.22 0.00 0.00 56.10 58.09 1sh0 s TRP 131 Cb 0.41 -0.57 0.78 0.00 -1.50 0.00 0.00 33.47 32.58 1sh0 s TRP 131 CO -0.07 -0.23 1.58 0.27 -4.62 0.00 0.00 176.95 173.89 1sh0 n ASN 132 N 5.21 1.89 0.00 5.86 0.23 -0.75 -4.92 115.26 122.78 1sh0 n ASN 132 Ca -0.05 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 1sh0 n ASN 132 Cb 0.50 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1sh0 n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sh0 n GLY 133 N 1.20 3.02 0.00 4.83 0.00 -1.26 -4.81 105.19 108.17 1sh0 n GLY 133 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1sh0 n GLY 133 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sh0 n GLU 134 N -1.31 0.87 -4.14 1.61 2.13 -1.26 -5.05 120.64 113.49 1sh0 n GLU 134 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1sh0 n GLU 134 Cb 0.00 -0.72 -0.11 0.00 0.27 0.00 0.00 31.44 30.88 1sh0 n GLU 134 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1sh0 s SER 135 N -2.68 1.11 0.78 4.31 0.01 -1.26 -4.76 113.70 111.20 1sh0 s SER 135 Ca 0.00 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.33 1sh0 s SER 135 Cb 0.00 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.35 1sh0 s SER 135 CO 0.00 -0.34 1.09 -0.36 0.41 0.00 0.00 173.24 174.04 1sh0 s PHE 136 N -2.69 2.58 -0.14 2.43 0.08 -1.26 -1.81 117.98 117.17 1sh0 s PHE 136 Ca 0.04 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.57 1sh0 s PHE 136 Cb -0.01 -3.05 -0.06 0.00 -0.57 0.00 0.00 43.02 39.33 1sh0 s PHE 136 CO -0.02 -1.81 -0.17 -2.37 -0.10 0.00 0.00 175.22 170.75 1sh0 n THR 137 N -3.53 0.76 0.00 0.64 5.66 0.13 -4.35 114.28 113.59 1sh0 n THR 137 Ca 0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1sh0 n THR 137 Cb 0.53 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 1sh0 n THR 137 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sh0 n GLY 138 N 2.27 1.67 0.32 1.09 0.00 -1.26 -4.64 105.19 104.64 1sh0 n GLY 138 Ca -0.27 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.73 1sh0 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sh0 h LYS 139 N 0.00 0.30 0.05 1.61 1.57 -1.97 -1.96 116.57 116.16 1sh0 h LYS 139 Ca 0.00 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1sh0 h LYS 139 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1sh0 h LYS 139 CO 0.00 0.20 -1.03 -0.07 -0.57 0.00 0.00 179.45 177.98 1sh0 h LEU 140 N 0.31 0.39 -0.61 2.94 3.38 -1.90 -2.27 115.31 117.55 1sh0 h LEU 140 Ca 0.17 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1sh0 h LEU 140 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1sh0 h LEU 140 CO -0.04 1.20 0.37 0.00 0.09 0.00 0.00 178.44 180.06 1sh0 h ALA 141 N 0.76 0.79 -0.04 1.53 0.00 -1.61 -0.18 119.26 120.51 1sh0 h ALA 141 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sh0 h ALA 141 Cb 1.70 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1sh0 h ALA 141 CO 0.17 0.11 0.02 -0.44 0.00 0.00 0.00 179.25 179.11 1sh0 h ASP 142 N 0.73 0.05 -0.15 0.00 3.32 -1.30 0.02 116.42 119.08 1sh0 h ASP 142 Ca 0.25 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1sh0 h ASP 142 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1sh0 h ASP 142 CO -0.11 0.12 0.08 -0.61 -1.72 0.00 0.00 179.24 177.01 1sh0 h GLN 143 N -0.03 0.21 -0.66 3.56 4.15 -1.31 -2.01 115.11 119.02 1sh0 h GLN 143 Ca 0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1sh0 h GLN 143 Cb 0.09 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1sh0 h GLN 143 CO -0.00 0.22 0.34 0.00 -1.93 0.00 0.00 178.83 177.46 1sh0 h ALA 144 N 0.98 0.85 -0.36 3.38 0.00 -0.94 -2.26 119.26 120.91 1sh0 h ALA 144 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1sh0 h ALA 144 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sh0 h ALA 144 CO -0.01 0.40 -0.02 0.77 0.00 0.00 0.00 179.25 180.39 1sh0 h SER 145 N 0.91 0.64 -0.32 0.00 0.02 -0.91 -0.49 113.55 113.41 1sh0 h SER 145 Ca 0.23 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1sh0 h SER 145 Cb 0.08 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1sh0 h SER 145 CO -0.03 0.80 0.10 0.50 -1.14 0.00 0.00 176.83 177.06 1sh0 h LYS 146 N 0.45 0.22 -0.97 3.45 1.63 -1.31 -1.24 116.57 118.80 1sh0 h LYS 146 Ca 0.10 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1sh0 h LYS 146 Cb 0.49 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1sh0 h LYS 146 CO 0.02 0.15 0.61 0.00 -3.45 0.00 0.00 179.45 176.78 1sh0 h ALA 147 N 1.21 1.24 0.01 5.00 0.00 -1.24 -1.03 119.26 124.45 1sh0 h ALA 147 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sh0 h ALA 147 Cb 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1sh0 h ALA 147 CO -0.16 0.66 -0.00 -0.97 0.00 0.00 0.00 179.25 178.78 1sh0 h ASN 148 N 1.33 -0.01 -0.77 0.00 -1.24 -0.57 -0.68 115.58 113.64 1sh0 h ASN 148 Ca 0.35 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.30 1sh0 h ASN 148 Cb -0.10 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 1sh0 h ASN 148 CO -0.07 -0.00 0.27 -0.07 -1.29 0.00 0.00 177.43 176.27 1sh0 h LEU 149 N -0.01 1.10 -1.03 0.34 3.38 -1.06 -1.55 115.31 116.47 1sh0 h LEU 149 Ca -0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1sh0 h LEU 149 Cb 0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1sh0 h LEU 149 CO 0.00 0.99 0.66 0.24 0.09 0.00 0.00 178.44 180.42 1sh0 h MET 150 N 1.14 1.29 0.04 1.13 2.86 -0.91 -0.10 114.93 120.38 1sh0 h MET 150 Ca 0.25 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1sh0 h MET 150 Cb 0.27 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1sh0 h MET 150 CO -0.01 0.85 -0.02 0.35 1.06 0.00 0.00 176.91 179.14 1sh0 h PHE 151 N 1.33 -0.04 -0.39 -0.22 3.57 -0.68 0.17 116.94 120.68 1sh0 h PHE 151 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1sh0 h PHE 151 Cb -0.13 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1sh0 h PHE 151 CO -0.00 0.07 0.13 0.93 -2.23 0.00 0.00 178.31 177.22 1sh0 h GLU 152 N -0.15 0.55 -0.07 1.11 5.08 -0.75 -2.04 114.58 118.30 1sh0 h GLU 152 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1sh0 h GLU 152 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1sh0 h GLU 152 CO 0.01 0.47 0.00 0.39 -1.00 0.00 0.00 179.01 178.88 1sh0 n GLU 153 N -4.37 1.65 -3.50 2.33 1.02 -0.10 -4.94 120.64 112.74 1sh0 n GLU 153 Ca 0.02 -0.96 -0.21 0.00 -0.02 0.00 0.00 57.16 55.99 1sh0 n GLU 153 Cb 0.16 -1.45 0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1sh0 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sh0 n GLY 154 N 1.15 -0.44 3.63 0.62 0.00 -0.77 -5.01 105.19 104.37 1sh0 n GLY 154 Ca 0.18 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1sh0 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh0 s LYS 155 N -5.99 2.79 0.39 1.61 1.02 0.55 -4.96 119.74 115.15 1sh0 s LYS 155 Ca 0.41 -0.54 -0.25 0.00 0.02 0.00 0.00 55.97 55.61 1sh0 s LYS 155 Cb -0.18 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1sh0 s LYS 155 CO 0.70 0.66 1.10 -0.80 -0.92 0.00 0.00 175.35 176.09 1sh0 s ASN 156 N -1.01 6.70 0.01 2.83 -0.87 -1.26 -4.55 114.94 116.79 1sh0 s ASN 156 Ca 0.14 2.18 0.01 0.00 -1.57 0.00 0.00 52.86 53.62 1sh0 s ASN 156 Cb -0.11 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.51 1sh0 s ASN 156 CO 0.04 -0.54 -0.03 -0.04 -2.57 0.00 0.00 177.10 173.96 1sh0 s MET 157 N -2.32 0.22 -0.32 -0.60 -1.94 -1.26 -5.11 119.30 107.96 1sh0 s MET 157 Ca 0.56 -0.23 -0.23 0.00 -1.71 0.00 0.00 55.69 54.09 1sh0 s MET 157 Cb -0.26 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.46 1sh0 s MET 157 CO 0.33 0.03 0.75 0.99 -0.01 0.00 0.00 175.02 177.10 1sh0 s THR 158 N -0.42 4.81 0.45 2.05 2.01 -1.26 -4.82 115.64 118.46 1sh0 s THR 158 Ca -0.03 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 1sh0 s THR 158 Cb -0.03 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 1sh0 s THR 158 CO -0.00 -0.28 1.39 -2.84 -0.69 0.00 0.00 174.62 172.20 1sh0 s PRO 159 N 2.91 3.72 -0.22 4.92 0.02 -1.26 -5.01 135.00 140.08 1sh0 s PRO 159 Ca 0.30 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.67 1sh0 s PRO 159 Cb -0.14 -2.66 0.05 0.00 0.02 0.00 0.00 34.50 31.78 1sh0 s PRO 159 CO 0.14 -0.76 -0.06 0.08 -0.33 0.00 0.00 177.00 176.06 1sh0 s VAL 160 N -1.22 1.51 0.33 3.83 1.01 -1.26 -4.13 120.40 120.46 1sh0 s VAL 160 Ca 0.61 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1sh0 s VAL 160 Cb -0.42 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1sh0 s VAL 160 CO 0.54 -0.01 0.66 -0.31 0.00 0.00 0.00 175.10 175.98 1sh0 s TYR 161 N 1.42 3.45 -0.25 5.22 2.02 0.72 -2.91 117.35 127.02 1sh0 s TYR 161 Ca -0.04 0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1sh0 s TYR 161 Cb -0.18 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1sh0 s TYR 161 CO -0.07 0.07 -0.08 0.99 -1.57 0.00 0.00 175.55 174.89 1sh0 s THR 162 N -2.14 2.62 0.26 -0.71 2.01 0.23 -1.07 115.64 116.85 1sh0 s THR 162 Ca 0.49 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1sh0 s THR 162 Cb -0.11 -2.37 -0.10 0.00 0.01 0.00 0.00 72.50 69.93 1sh0 s THR 162 CO 0.27 0.16 1.49 -0.83 -0.69 0.00 0.00 174.62 175.03 1sh0 s GLY 163 N 1.26 2.24 0.17 4.40 0.00 0.05 -1.15 107.32 114.30 1sh0 s GLY 163 Ca -0.02 1.41 -0.02 0.00 0.00 0.00 0.00 44.72 46.09 1sh0 s GLY 163 CO -0.05 2.37 0.12 0.00 0.00 0.00 0.00 173.10 175.54 1sh0 s ALA 164 N 0.01 0.88 -0.05 3.20 0.00 -0.15 -4.90 121.76 120.75 1sh0 s ALA 164 Ca 0.61 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1sh0 s ALA 164 Cb -0.44 1.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1sh0 s ALA 164 CO 0.45 -0.56 -0.24 -0.51 0.00 0.00 0.00 175.76 174.90 1sh0 s LEU 165 N -3.09 2.04 -0.24 0.00 1.43 -1.26 -0.48 118.68 117.08 1sh0 s LEU 165 Ca 0.30 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1sh0 s LEU 165 Cb 0.07 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1sh0 s LEU 165 CO 0.06 0.24 1.03 -0.75 0.23 0.00 0.00 176.35 177.16 1sh0 s LYS 166 N -0.20 4.24 -0.49 1.70 2.20 0.11 -4.93 119.74 122.38 1sh0 s LYS 166 Ca -0.02 1.33 -0.28 0.00 -0.36 0.00 0.00 55.97 56.64 1sh0 s LYS 166 Cb -0.13 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1sh0 s LYS 166 CO 0.03 -0.64 1.11 0.34 -0.36 0.00 0.00 175.35 175.82 1sh0 s ASP 167 N 1.23 6.58 0.23 1.43 2.15 -1.26 -4.56 116.67 122.47 1sh0 s ASP 167 Ca 0.44 0.34 -0.21 0.00 0.43 0.00 0.00 52.55 53.55 1sh0 s ASP 167 Cb -0.15 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1sh0 s ASP 167 CO 0.07 -1.26 0.64 -1.83 -0.17 0.00 0.00 175.17 172.62 1sh0 s GLU 168 N 4.41 1.56 0.22 4.34 -1.05 -1.26 -4.99 118.70 121.93 1sh0 s GLU 168 Ca 0.45 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 1sh0 s GLU 168 Cb -0.08 0.58 -0.08 0.00 -0.44 0.00 0.00 34.13 34.11 1sh0 s GLU 168 CO 0.30 -0.70 1.01 -0.51 0.95 0.00 0.00 175.26 176.31 1sh0 s LEU 169 N -2.86 4.57 0.06 1.83 1.43 -1.26 -1.22 118.68 121.23 1sh0 s LEU 169 Ca 0.08 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1sh0 s LEU 169 Cb -0.03 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1sh0 s LEU 169 CO -0.01 -0.01 -0.03 0.68 0.23 0.00 0.00 176.35 177.21 1sh0 s VAL 170 N -0.82 0.30 0.47 -1.59 -7.23 0.68 -4.88 120.40 107.32 1sh0 s VAL 170 Ca 0.44 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.53 1sh0 s VAL 170 Cb -0.28 -1.58 -0.08 0.00 0.56 0.00 0.00 36.38 35.01 1sh0 s VAL 170 CO 0.34 -0.95 1.37 2.29 -0.31 0.00 0.00 175.10 177.84 1sh0 n LYS 171 N 0.07 2.02 0.28 4.82 2.85 -1.26 -1.36 118.16 125.58 1sh0 n LYS 171 Ca -0.13 0.73 0.14 0.00 -1.05 0.00 0.00 58.31 58.00 1sh0 n LYS 171 Cb 0.61 -2.55 0.87 0.00 -0.65 0.00 0.00 35.03 33.31 1sh0 n LYS 171 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1sh0 h THR 172 N 2.02 0.59 0.00 0.58 1.35 -1.84 -1.29 112.91 114.32 1sh0 h THR 172 Ca -0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 1sh0 h THR 172 Cb 1.28 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1sh0 h THR 172 CO 0.60 0.00 -0.12 -0.78 -0.25 0.00 0.00 175.52 174.96 1sh0 h ASP 173 N 0.00 0.00 0.38 5.36 3.58 -1.94 0.12 116.42 123.93 1sh0 h ASP 173 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1sh0 h ASP 173 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1sh0 h ASP 173 CO -0.00 0.12 0.00 0.29 -2.88 0.00 0.00 179.24 176.77 1sh0 n LYS 174 N -3.58 0.48 -0.04 0.28 5.02 -0.48 -1.31 118.16 118.52 1sh0 n LYS 174 Ca -0.02 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1sh0 n LYS 174 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1sh0 n LYS 174 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1sh0 n ILE 175 N -1.22 1.15 1.06 -0.18 5.41 -0.46 -2.43 119.36 122.68 1sh0 n ILE 175 Ca 0.14 0.09 0.12 0.00 1.00 0.00 0.00 62.75 64.10 1sh0 n ILE 175 Cb 0.18 -1.87 0.18 0.00 -0.71 0.00 0.00 39.64 37.42 1sh0 n ILE 175 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sh0 n TYR 176 N -3.86 0.00 0.00 1.39 4.01 0.30 -4.70 117.16 114.30 1sh0 n TYR 176 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1sh0 n TYR 176 Cb 0.43 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1sh0 n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh0 n GLY 177 N 1.45 1.39 3.60 2.72 0.00 -0.43 -5.00 105.19 108.92 1sh0 n GLY 177 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1sh0 n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh0 s LYS 178 N 3.49 3.54 0.13 1.61 2.47 -1.04 -4.92 119.74 125.03 1sh0 s LYS 178 Ca 0.00 0.88 -0.31 0.00 -1.56 0.00 0.00 55.97 54.98 1sh0 s LYS 178 Cb 0.00 -4.03 -0.09 0.00 -1.46 0.00 0.00 37.83 32.25 1sh0 s LYS 178 CO 0.00 -1.61 1.50 0.42 0.16 0.00 0.00 175.35 175.83 1sh0 s ILE 179 N 5.50 2.93 0.01 5.43 1.01 -1.26 -4.17 121.20 130.65 1sh0 s ILE 179 Ca 0.60 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1sh0 s ILE 179 Cb -0.13 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1sh0 s ILE 179 CO 0.32 0.05 -0.02 -0.54 0.00 0.00 0.00 174.94 174.74 1sh0 s LYS 180 N 1.26 0.20 -0.09 2.79 1.02 -1.02 -5.03 119.74 118.87 1sh0 s LYS 180 Ca 0.68 -0.25 -0.07 0.00 0.02 0.00 0.00 55.97 56.35 1sh0 s LYS 180 Cb -0.41 -0.07 0.03 0.00 -0.52 0.00 0.00 37.83 36.87 1sh0 s LYS 180 CO 0.31 0.01 0.23 0.21 -0.92 0.00 0.00 175.35 175.19 1sh0 s LYS 181 N -0.53 0.24 0.26 1.68 2.20 -1.26 -4.70 119.74 117.64 1sh0 s LYS 181 Ca -0.05 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 1sh0 s LYS 181 Cb -0.04 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.22 1sh0 s LYS 181 CO -0.00 -0.08 1.06 1.03 -0.36 0.00 0.00 175.35 177.00 1sh0 s ARG 182 N 0.57 4.69 -0.02 4.03 0.52 -1.26 -4.82 118.95 122.66 1sh0 s ARG 182 Ca -0.04 1.73 -0.26 0.00 -0.52 0.00 0.00 55.73 56.64 1sh0 s ARG 182 Cb -0.05 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1sh0 s ARG 182 CO -0.03 0.27 0.82 -1.17 0.02 0.00 0.00 175.30 175.21 1sh0 s LEU 183 N -1.32 4.36 0.01 2.53 2.96 -1.26 -0.71 118.68 125.25 1sh0 s LEU 183 Ca 0.44 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.83 1sh0 s LEU 183 Cb -0.30 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1sh0 s LEU 183 CO 0.39 -0.15 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.32 1sh0 s LEU 184 N 0.73 2.55 -0.63 -0.68 1.43 0.36 -4.87 118.68 117.57 1sh0 s LEU 184 Ca 0.43 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1sh0 s LEU 184 Cb -0.20 -1.49 0.16 0.00 0.03 0.00 0.00 46.19 44.69 1sh0 s LEU 184 CO 0.23 0.29 0.47 0.26 0.23 0.00 0.00 176.35 177.82 1sh0 s TRP 185 N -0.82 3.47 -0.27 0.29 0.52 0.20 -0.97 118.94 121.36 1sh0 s TRP 185 Ca 0.13 -2.55 -0.29 0.00 0.02 0.00 0.00 56.10 53.41 1sh0 s TRP 185 Cb -0.10 -3.31 -0.01 0.00 -1.15 0.00 0.00 33.47 28.90 1sh0 s TRP 185 CO 0.03 -0.88 1.43 0.20 0.02 0.00 0.00 176.95 177.75 1sh0 s GLY 186 N 1.08 1.32 0.86 0.98 0.00 -0.30 -3.55 107.32 107.72 1sh0 s GLY 186 Ca 0.16 0.26 -0.13 0.00 0.00 0.00 0.00 44.72 45.01 1sh0 s GLY 186 CO -0.04 2.75 1.18 -1.35 0.00 0.00 0.00 173.10 175.64 1sh0 s SER 187 N 3.36 3.99 0.34 1.64 1.04 -1.26 0.77 113.70 123.58 1sh0 s SER 187 Ca 0.62 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 1sh0 s SER 187 Cb -0.20 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 1sh0 s SER 187 CO 0.25 -2.23 0.58 1.51 0.98 0.00 0.00 173.24 174.34 1sh0 s ASP 188 N -4.43 6.34 0.24 7.02 -4.77 -1.15 -4.08 116.67 115.84 1sh0 s ASP 188 Ca 0.64 0.60 -0.05 0.00 -3.30 0.00 0.00 52.55 50.44 1sh0 s ASP 188 Cb -0.11 -2.10 0.35 0.00 -1.09 0.00 0.00 42.92 39.97 1sh0 s ASP 188 CO 0.51 -0.30 1.83 0.25 0.70 0.00 0.00 175.17 178.16 1sh0 h LEU 189 N 1.00 0.73 -0.45 2.11 5.85 -1.29 -1.57 115.31 121.69 1sh0 h LEU 189 Ca -0.49 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1sh0 h LEU 189 Cb 1.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1sh0 h LEU 189 CO 0.63 0.45 0.22 0.00 -0.34 0.00 0.00 178.44 179.40 1sh0 h ALA 190 N 1.42 0.57 -0.83 1.25 0.00 -1.87 -1.26 119.26 118.55 1sh0 h ALA 190 Ca 0.38 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1sh0 h ALA 190 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sh0 h ALA 190 CO -0.21 -0.14 0.36 1.15 0.00 0.00 0.00 179.25 180.42 1sh0 h THR 191 N 0.44 1.26 -0.03 0.00 2.02 -1.77 -1.75 112.91 113.07 1sh0 h THR 191 Ca 0.20 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1sh0 h THR 191 Cb 0.12 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1sh0 h THR 191 CO -0.15 0.33 -0.06 0.24 0.37 0.00 0.00 175.52 176.25 1sh0 h MET 192 N 1.19 -0.08 -0.26 6.66 2.07 -0.58 -0.08 114.93 123.85 1sh0 h MET 192 Ca 0.28 0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.77 1sh0 h MET 192 Cb 0.17 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 1sh0 h MET 192 CO -0.03 -0.05 -0.44 -0.84 1.07 0.00 0.00 176.91 176.62 1sh0 h ILE 193 N -0.08 1.30 -0.57 -1.22 -0.00 -1.12 -0.18 117.51 115.64 1sh0 h ILE 193 Ca 0.03 -1.62 -0.01 0.00 -0.00 0.00 0.00 64.86 63.26 1sh0 h ILE 193 Cb 0.13 1.57 -0.03 0.00 -0.00 0.00 0.00 36.82 38.49 1sh0 h ILE 193 CO -0.08 0.52 0.32 0.03 -0.00 0.00 0.00 178.15 178.94 1sh0 h ARG 194 N 0.52 0.79 -0.54 0.16 3.08 -1.14 -0.47 114.38 116.78 1sh0 h ARG 194 Ca 0.04 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1sh0 h ARG 194 Cb 0.97 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1sh0 h ARG 194 CO 0.09 0.60 -0.02 0.00 -1.07 0.00 0.00 179.97 179.56 1sh0 h ALA 196 N 0.95 0.20 -0.62 0.00 0.00 -0.78 0.15 119.26 119.16 1sh0 h ALA 196 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1sh0 h ALA 196 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1sh0 h ALA 196 CO 0.03 -0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.01 1sh0 h ARG 197 N 0.20 1.07 -0.14 0.00 3.08 -1.04 0.24 114.38 117.79 1sh0 h ARG 197 Ca 0.06 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 1sh0 h ARG 197 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1sh0 h ARG 197 CO -0.01 1.02 -0.05 0.00 -1.07 0.00 0.00 179.97 179.86 1sh0 h ALA 198 N 1.04 0.20 0.00 0.04 0.00 -0.85 -3.40 119.26 116.28 1sh0 h ALA 198 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sh0 h ALA 198 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sh0 h ALA 198 CO 0.03 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1sh0 n PHE 199 N -4.68 0.00 -0.14 0.00 3.72 0.51 -4.36 117.46 112.52 1sh0 n PHE 199 Ca -0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.27 1sh0 n PHE 199 Cb 0.28 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1sh0 n PHE 199 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1sh0 h GLY 200 N 0.00 -0.27 1.45 1.37 0.00 -0.52 0.47 103.07 105.56 1sh0 h GLY 200 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 1sh0 h GLY 200 CO 0.00 -0.20 0.08 -1.33 0.00 0.00 0.00 176.54 175.09 1sh0 h GLY 201 N -0.25 0.74 0.91 4.60 0.00 -1.77 -1.80 103.07 105.51 1sh0 h GLY 201 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1sh0 h GLY 201 CO -0.58 0.40 0.10 -2.00 0.00 0.00 0.00 176.54 174.47 1sh0 h LEU 202 N 0.67 0.49 -0.77 3.11 5.85 -1.58 -1.27 115.31 121.82 1sh0 h LEU 202 Ca 0.15 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1sh0 h LEU 202 Cb 0.30 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1sh0 h LEU 202 CO 0.00 0.57 0.46 0.24 -0.34 0.00 0.00 178.44 179.38 1sh0 h MET 203 N 0.39 0.84 -0.09 1.25 2.86 -0.51 0.96 114.93 120.62 1sh0 h MET 203 Ca 0.11 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1sh0 h MET 203 Cb 0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1sh0 h MET 203 CO -0.00 0.55 0.01 -0.44 1.06 0.00 0.00 176.91 178.09 1sh0 h ASP 204 N 0.86 -0.01 -0.57 1.22 3.32 -1.18 -1.75 116.42 118.31 1sh0 h ASP 204 Ca 0.33 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1sh0 h ASP 204 Cb 0.14 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1sh0 h ASP 204 CO -0.16 0.01 0.21 -0.08 -1.72 0.00 0.00 179.24 177.50 1sh0 h GLU 205 N 0.05 0.87 -0.45 3.56 4.57 -0.63 -2.27 114.58 120.28 1sh0 h GLU 205 Ca 0.04 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1sh0 h GLU 205 Cb 0.04 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1sh0 h GLU 205 CO -0.06 0.77 0.20 -0.07 -1.18 0.00 0.00 179.01 178.66 1sh0 h LEU 206 N 0.80 0.26 -1.15 1.64 3.38 -0.72 -2.67 115.31 116.85 1sh0 h LEU 206 Ca 0.19 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1sh0 h LEU 206 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sh0 h LEU 206 CO -0.01 0.19 -0.36 0.07 0.09 0.00 0.00 178.44 178.41 1sh0 h LYS 207 N 0.40 0.11 -0.56 1.13 5.09 -1.09 -0.87 116.57 120.77 1sh0 h LYS 207 Ca 0.20 -0.05 0.12 0.00 0.09 0.00 0.00 60.65 61.02 1sh0 h LYS 207 Cb 0.15 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 32.44 1sh0 h LYS 207 CO -0.17 0.46 0.39 1.15 -2.09 0.00 0.00 179.45 179.20 1sh0 h THR 208 N 0.10 0.82 -0.31 0.07 2.02 -1.07 -2.66 112.91 111.88 1sh0 h THR 208 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1sh0 h THR 208 Cb 0.69 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1sh0 h THR 208 CO 0.05 0.04 0.00 1.41 0.37 0.00 0.00 175.52 177.39 1sh0 n HIS 209 N -4.44 1.05 0.30 3.16 8.25 -0.38 -4.68 115.22 118.48 1sh0 n HIS 209 Ca 0.10 -0.83 0.17 0.00 -0.26 0.00 0.00 57.72 56.90 1sh0 n HIS 209 Cb 0.48 -0.32 0.80 0.00 1.12 0.00 0.00 29.99 32.07 1sh0 n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sh0 h VAL 211 N 0.00 1.38 0.00 0.00 2.07 -1.84 -3.35 116.25 114.50 1sh0 h VAL 211 Ca 0.00 -2.43 -0.30 0.00 0.82 0.00 0.00 66.70 64.79 1sh0 h VAL 211 Cb 0.30 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 1sh0 h VAL 211 CO 0.00 0.67 -2.15 0.35 0.02 0.00 0.00 177.57 176.46 1sh0 n THR 212 N -3.56 1.14 -2.57 2.57 -2.24 -1.02 -4.78 114.28 103.81 1sh0 n THR 212 Ca -0.00 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 1sh0 n THR 212 Cb 0.71 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1sh0 n THR 212 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sh0 s LEU 213 N -5.23 3.73 0.55 3.22 1.43 -0.58 -4.97 118.68 116.83 1sh0 s LEU 213 Ca -0.08 1.54 0.28 0.00 -1.03 0.00 0.00 54.13 54.84 1sh0 s LEU 213 Cb 0.05 -4.45 1.59 0.00 0.03 0.00 0.00 46.19 43.42 1sh0 s LEU 213 CO 0.69 -0.50 2.15 -0.65 0.23 0.00 0.00 176.35 178.27 1sh0 h PRO 214 N 1.23 0.00 -6.31 1.29 0.11 -1.88 -3.39 132.00 123.05 1sh0 h PRO 214 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1sh0 h PRO 214 Cb 1.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 1sh0 h PRO 214 CO 0.62 0.07 1.11 0.42 -0.21 0.00 0.00 178.00 180.01 1sh0 s ILE 215 N -4.38 3.68 -2.25 4.15 1.01 -1.26 -0.20 121.20 121.95 1sh0 s ILE 215 Ca -0.04 0.42 0.28 0.00 0.00 0.00 0.00 60.65 61.32 1sh0 s ILE 215 Cb 0.14 -4.70 0.68 0.00 0.01 0.00 0.00 42.46 38.58 1sh0 s ILE 215 CO 0.57 -1.61 1.91 0.54 0.00 0.00 0.00 174.94 176.35 1sh0 n ARG 216 N 9.24 1.36 -1.66 2.79 5.12 -0.18 -4.53 116.66 128.80 1sh0 n ARG 216 Ca 0.07 -0.53 -0.48 0.00 -1.93 0.00 0.00 57.85 54.98 1sh0 n ARG 216 Cb 0.50 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.28 1sh0 n ARG 216 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sh0 n VAL 217 N -0.34 0.18 0.00 1.55 0.31 -1.26 -1.57 118.33 117.20 1sh0 n VAL 217 Ca 0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1sh0 n VAL 217 Cb 0.24 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1sh0 n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sh0 n GLY 218 N 3.62 0.21 3.76 2.92 0.00 -1.26 -4.49 105.19 109.95 1sh0 n GLY 218 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1sh0 n GLY 218 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sh0 s MET 219 N -0.91 3.16 -0.32 1.61 0.00 -0.61 -3.89 119.30 118.34 1sh0 s MET 219 Ca 0.00 1.93 -0.13 0.00 0.00 0.00 0.00 55.69 57.49 1sh0 s MET 219 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 34.83 32.69 1sh0 s MET 219 CO 0.00 -1.08 0.25 1.21 0.00 0.00 0.00 175.02 175.40 1sh0 s ASN 220 N -1.37 6.08 0.14 -1.18 3.84 -1.26 0.55 114.94 121.74 1sh0 s ASN 220 Ca 0.73 -0.20 -0.20 0.00 0.21 0.00 0.00 52.86 53.41 1sh0 s ASN 220 Cb -0.33 -2.15 0.01 0.00 -0.55 0.00 0.00 41.25 38.23 1sh0 s ASN 220 CO 0.37 -0.19 1.69 -0.03 -2.79 0.00 0.00 177.10 176.15 1sh0 h MET 221 N 8.42 -0.03 -0.48 0.43 1.85 -1.94 0.28 114.93 123.47 1sh0 h MET 221 Ca -0.32 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.72 1sh0 h MET 221 Cb 1.17 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 1sh0 h MET 221 CO 0.62 -0.02 0.10 -0.91 -0.40 0.00 0.00 176.91 176.30 1sh0 h ASN 222 N -0.03 0.74 0.00 1.39 4.21 -1.94 -0.79 115.58 119.16 1sh0 h ASN 222 Ca 0.12 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1sh0 h ASN 222 Cb 0.21 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1sh0 h ASN 222 CO -0.27 0.79 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.31 1sh0 h GLU 223 N 0.65 0.02 0.00 0.81 5.08 -1.93 -3.41 114.58 115.80 1sh0 h GLU 223 Ca 0.15 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.18 1sh0 h GLU 223 Cb 0.35 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1sh0 h GLU 223 CO 0.00 0.82 -1.99 -0.25 -1.00 0.00 0.00 179.01 176.60 1sh0 n ASP 224 N -4.68 0.48 -0.20 1.42 8.00 0.98 -4.40 116.55 118.15 1sh0 n ASP 224 Ca -0.09 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.60 1sh0 n ASP 224 Cb 0.41 0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.98 1sh0 n ASP 224 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sh0 h GLY 225 N 3.74 0.12 -0.01 0.44 0.00 -1.13 0.39 103.07 106.62 1sh0 h GLY 225 Ca -0.39 0.34 0.16 0.00 0.00 0.00 0.00 47.33 47.44 1sh0 h GLY 225 CO 0.05 -0.23 0.22 -2.55 0.00 0.00 0.00 176.54 174.04 1sh0 h PRO 226 N -0.11 0.31 -0.03 4.80 0.11 -1.76 0.16 132.00 135.49 1sh0 h PRO 226 Ca 0.26 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 1sh0 h PRO 226 Cb 0.52 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1sh0 h PRO 226 CO -0.66 0.20 -0.15 0.82 -0.21 0.00 0.00 178.00 178.01 1sh0 h ILE 227 N 0.32 1.49 -0.04 4.15 2.04 -1.56 -2.02 117.51 121.88 1sh0 h ILE 227 Ca 0.42 -1.65 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1sh0 h ILE 227 Cb 0.70 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1sh0 h ILE 227 CO -0.48 0.45 -0.06 0.40 0.00 0.00 0.00 178.15 178.46 1sh0 h ILE 228 N -0.44 0.83 -0.45 -0.67 2.04 -0.65 -1.83 117.51 116.34 1sh0 h ILE 228 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1sh0 h ILE 228 Cb 0.81 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1sh0 h ILE 228 CO 0.03 0.00 0.13 -0.26 0.00 0.00 0.00 178.15 178.06 1sh0 h PHE 229 N -0.09 0.73 -0.64 1.37 0.04 -0.77 -1.45 116.94 116.14 1sh0 h PHE 229 Ca 0.04 -0.08 0.10 0.00 2.80 0.00 0.00 57.97 60.83 1sh0 h PHE 229 Cb 0.14 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.01 1sh0 h PHE 229 CO -0.15 0.66 0.26 1.49 -0.60 0.00 0.00 178.31 179.97 1sh0 h GLU 230 N 0.59 0.44 -0.96 1.51 4.22 -1.30 -0.29 114.58 118.78 1sh0 h GLU 230 Ca 0.14 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.57 1sh0 h GLU 230 Cb 0.28 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1sh0 h GLU 230 CO -0.00 0.29 0.64 -0.09 -2.18 0.00 0.00 179.01 177.66 1sh0 h ARG 231 N 0.45 1.27 -0.60 1.92 9.65 -0.81 -1.78 114.38 124.49 1sh0 h ARG 231 Ca 0.32 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1sh0 h ARG 231 Cb 0.39 -0.29 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1sh0 h ARG 231 CO -0.30 0.84 0.40 0.45 2.80 0.00 0.00 179.97 184.16 1sh0 h HIS 232 N 1.31 0.75 0.00 2.20 3.86 -0.48 -3.06 115.15 119.73 1sh0 h HIS 232 Ca 0.35 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1sh0 h HIS 232 Cb -0.15 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.07 1sh0 h HIS 232 CO -0.00 0.48 0.06 0.66 0.86 0.00 0.00 177.93 179.98 1sh0 h SER 233 N 0.81 0.00 1.12 2.45 4.64 -0.16 -1.84 113.55 120.57 1sh0 h SER 233 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1sh0 h SER 233 Cb -0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1sh0 h SER 233 CO -0.05 0.00 -0.15 0.03 -0.87 0.00 0.00 176.83 175.79 1sh0 h ARG 234 N 0.00 0.00 -6.72 4.77 3.08 -1.45 -3.45 114.38 110.61 1sh0 h ARG 234 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1sh0 h ARG 234 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.19 1sh0 h ARG 234 CO 0.00 0.15 -0.03 0.71 -1.07 0.00 0.00 179.97 179.73 1sh0 s TYR 235 N -3.56 3.53 0.02 3.04 1.51 -0.70 -5.03 117.35 116.16 1sh0 s TYR 235 Ca 0.02 0.62 -0.17 0.00 -1.01 0.00 0.00 57.07 56.52 1sh0 s TYR 235 Cb 0.09 -2.12 -0.34 0.00 -0.11 0.00 0.00 41.96 39.48 1sh0 s TYR 235 CO 0.62 -0.07 0.99 -0.09 -1.11 0.00 0.00 175.55 175.89 1sh0 h ARG 236 N 0.60 0.50 -6.31 -0.62 2.43 -1.81 -3.46 114.38 105.71 1sh0 h ARG 236 Ca -0.48 -0.82 -0.69 0.00 -0.81 0.00 0.00 59.98 57.18 1sh0 h ARG 236 Cb 1.21 0.30 -0.25 0.00 -0.42 0.00 0.00 29.97 30.81 1sh0 h ARG 236 CO 0.62 1.39 -0.80 0.71 -1.51 0.00 0.00 179.97 180.38 1sh0 s TYR 237 N -2.63 2.63 -0.02 2.20 2.02 0.97 -4.31 117.35 118.22 1sh0 s TYR 237 Ca -0.10 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1sh0 s TYR 237 Cb 0.03 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1sh0 s TYR 237 CO 0.92 0.11 -0.03 -1.01 -1.57 0.00 0.00 175.55 173.96 1sh0 s HIS 238 N -0.63 0.44 0.06 2.71 3.76 0.61 0.02 115.29 122.27 1sh0 s HIS 238 Ca 0.09 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1sh0 s HIS 238 Cb -0.11 -0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1sh0 s HIS 238 CO 0.01 -0.07 -0.05 1.52 -0.85 0.00 0.00 174.74 175.30 1sh0 s TYR 239 N 0.33 0.63 -0.30 1.40 -0.85 -0.13 -0.09 117.35 118.34 1sh0 s TYR 239 Ca -0.03 -0.85 0.18 0.00 -0.52 0.00 0.00 57.07 55.85 1sh0 s TYR 239 Cb -0.07 -0.41 0.46 0.00 0.38 0.00 0.00 41.96 42.33 1sh0 s TYR 239 CO -0.00 -0.23 1.24 -0.40 -1.52 0.00 0.00 175.55 174.63 1sh0 n ASP 240 N 0.48 0.39 -3.56 -0.18 5.75 -1.26 -0.60 116.55 117.57 1sh0 n ASP 240 Ca -0.16 -2.21 -0.38 0.00 -0.01 0.00 0.00 54.79 52.03 1sh0 n ASP 240 Cb 0.59 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 1sh0 n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sh0 n ALA 241 N -0.80 -2.54 -3.23 2.12 0.00 -1.26 -4.84 120.51 109.95 1sh0 n ALA 241 Ca -0.01 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 1sh0 n ALA 241 Cb 0.83 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1sh0 n ALA 241 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1sh0 s ASP 242 N -0.81 5.03 0.22 0.00 1.47 -1.24 -4.52 116.67 116.81 1sh0 s ASP 242 Ca 0.51 -0.69 -0.30 0.00 1.18 0.00 0.00 52.55 53.26 1sh0 s ASP 242 Cb -0.73 -1.86 -0.08 0.00 -0.34 0.00 0.00 42.92 39.91 1sh0 s ASP 242 CO 0.46 -0.17 0.96 -0.31 0.68 0.00 0.00 175.17 176.79 1sh0 s TYR 243 N 1.49 3.91 0.00 2.11 2.02 -1.26 -2.23 117.35 123.38 1sh0 s TYR 243 Ca 0.03 1.87 -0.20 0.00 -0.37 0.00 0.00 57.07 58.39 1sh0 s TYR 243 Cb -0.17 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.30 1sh0 s TYR 243 CO 0.02 0.28 0.57 -1.12 -1.57 0.00 0.00 175.55 173.73 1sh0 s SER 244 N -0.88 6.96 -1.40 2.29 0.01 -0.61 -4.42 113.70 115.65 1sh0 s SER 244 Ca 0.43 1.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.77 1sh0 s SER 244 Cb -0.26 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1sh0 s SER 244 CO 0.32 0.14 0.84 0.54 0.41 0.00 0.00 173.24 175.49 1sh0 n ARG 245 N 2.55 -5.29 -0.14 12.44 1.74 -1.26 -4.44 116.66 122.26 1sh0 n ARG 245 Ca -0.08 0.62 -0.06 0.00 -0.77 0.00 0.00 57.85 57.55 1sh0 n ARG 245 Cb 0.51 -5.33 -0.00 0.00 -1.02 0.00 0.00 32.46 26.61 1sh0 n ARG 245 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1sh0 h TRP 246 N -2.00 -0.81 -0.76 -1.55 2.91 -1.97 -2.49 115.95 109.28 1sh0 h TRP 246 Ca -0.60 0.06 0.04 0.00 1.13 0.00 0.00 58.89 59.52 1sh0 h TRP 246 Cb 1.37 0.42 -0.05 0.00 -0.51 0.00 0.00 29.16 30.39 1sh0 h TRP 246 CO 0.51 -0.36 0.47 -0.44 -1.03 0.00 0.00 178.44 177.59 1sh0 h ASP 247 N -0.21 0.76 1.00 2.65 5.19 -1.89 -1.48 116.42 122.44 1sh0 h ASP 247 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1sh0 h ASP 247 Cb 0.52 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1sh0 h ASP 247 CO -0.56 0.52 0.00 0.77 -3.12 0.00 0.00 179.24 176.85 1sh0 h SER 248 N 0.90 0.00 0.09 6.45 4.64 -1.71 0.33 113.55 124.25 1sh0 h SER 248 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1sh0 h SER 248 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1sh0 h SER 248 CO -0.13 0.00 -0.37 0.35 -0.87 0.00 0.00 176.83 175.81 1sh0 n THR 249 N -2.61 0.00 -2.07 2.95 -2.24 -0.58 -4.33 114.28 105.41 1sh0 n THR 249 Ca 0.02 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 1sh0 n THR 249 Cb 0.30 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1sh0 n THR 249 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sh0 s GLN 250 N -2.47 3.73 -0.15 -0.78 -1.52 -1.09 -4.71 119.66 112.67 1sh0 s GLN 250 Ca 0.22 2.04 -0.09 0.00 -1.95 0.00 0.00 55.36 55.58 1sh0 s GLN 250 Cb 0.19 -2.54 -0.05 0.00 -0.22 0.00 0.00 33.01 30.39 1sh0 s GLN 250 CO 0.54 -0.65 0.17 -0.65 -0.25 0.00 0.00 175.29 174.44 1sh0 s GLN 251 N -2.52 3.85 0.42 2.91 -0.21 -1.26 -2.28 119.66 120.56 1sh0 s GLN 251 Ca 0.62 -0.11 0.09 0.00 0.02 0.00 0.00 55.36 55.98 1sh0 s GLN 251 Cb -0.35 -3.31 0.90 0.00 1.00 0.00 0.00 33.01 31.24 1sh0 s GLN 251 CO 0.44 0.53 2.01 0.00 -2.12 0.00 0.00 175.29 176.15 1sh0 h ARG 252 N 5.82 0.33 -0.70 2.91 2.47 -1.88 -0.64 114.38 122.68 1sh0 h ARG 252 Ca -0.48 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.23 1sh0 h ARG 252 Cb 1.19 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.40 1sh0 h ARG 252 CO 0.67 0.31 0.43 0.00 0.56 0.00 0.00 179.97 181.94 1sh0 h ALA 253 N 1.74 0.92 -0.20 0.04 0.00 -1.97 0.25 119.26 120.04 1sh0 h ALA 253 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1sh0 h ALA 253 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sh0 h ALA 253 CO -0.00 0.20 -0.35 0.28 0.00 0.00 0.00 179.25 179.37 1sh0 h VAL 254 N 0.84 1.33 0.00 0.00 2.07 -1.85 -3.01 116.25 115.62 1sh0 h VAL 254 Ca 0.28 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1sh0 h VAL 254 Cb 0.04 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1sh0 h VAL 254 CO -0.12 0.49 -0.12 -0.07 0.02 0.00 0.00 177.57 177.77 1sh0 h LEU 255 N 0.27 0.00 -0.38 2.57 3.38 -0.85 -2.13 115.31 118.16 1sh0 h LEU 255 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1sh0 h LEU 255 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1sh0 h LEU 255 CO 0.08 0.12 0.06 0.00 0.09 0.00 0.00 178.44 178.79 1sh0 h ALA 256 N 1.88 0.51 -0.81 1.53 0.00 -0.44 -0.66 119.26 121.26 1sh0 h ALA 256 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1sh0 h ALA 256 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1sh0 h ALA 256 CO 0.02 0.22 0.42 0.00 0.00 0.00 0.00 179.25 179.91 1sh0 h ALA 257 N 0.92 1.04 -0.59 0.00 0.00 -1.30 0.27 119.26 119.60 1sh0 h ALA 257 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1sh0 h ALA 257 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1sh0 h ALA 257 CO 0.01 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.95 1sh0 h ALA 258 N 1.22 0.78 -0.42 0.00 0.00 -1.25 -2.39 119.26 117.20 1sh0 h ALA 258 Ca 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1sh0 h ALA 258 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sh0 h ALA 258 CO -0.04 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1sh0 h LEU 259 N 0.86 0.68 -0.67 0.00 3.38 -0.78 -1.89 115.31 116.89 1sh0 h LEU 259 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sh0 h LEU 259 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1sh0 h LEU 259 CO 0.01 0.78 0.35 -0.08 0.09 0.00 0.00 178.44 179.58 1sh0 h GLU 260 N 0.66 0.94 -0.23 1.13 4.81 -0.72 0.25 114.58 121.42 1sh0 h GLU 260 Ca 0.13 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1sh0 h GLU 260 Cb 0.47 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1sh0 h GLU 260 CO 0.02 0.73 0.15 0.82 -0.73 0.00 0.00 179.01 179.99 1sh0 h ILE 261 N 0.92 1.04 -0.82 2.32 2.04 -1.23 -0.63 117.51 121.16 1sh0 h ILE 261 Ca 0.23 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1sh0 h ILE 261 Cb 0.07 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1sh0 h ILE 261 CO -0.03 0.05 0.51 0.24 0.00 0.00 0.00 178.15 178.92 1sh0 h MET 262 N 0.30 0.94 -0.20 2.37 2.86 -0.71 -2.46 114.93 118.03 1sh0 h MET 262 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1sh0 h MET 262 Cb -0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1sh0 h MET 262 CO -0.03 0.62 0.04 0.28 1.06 0.00 0.00 176.91 178.89 1sh0 h VAL 263 N 0.97 1.21 -0.92 -2.22 2.07 -0.27 -2.18 116.25 114.91 1sh0 h VAL 263 Ca 0.34 -0.70 0.15 0.00 0.82 0.00 0.00 66.70 67.31 1sh0 h VAL 263 Cb 0.09 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1sh0 h VAL 263 CO -0.14 0.22 0.59 0.50 0.02 0.00 0.00 177.57 178.75 1sh0 h LYS 264 N 0.14 0.71 -0.65 1.57 3.64 -0.75 -1.83 116.57 119.41 1sh0 h LYS 264 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sh0 h LYS 264 Cb 0.29 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1sh0 h LYS 264 CO 0.00 0.47 0.00 1.19 -2.27 0.00 0.00 179.45 178.84 1sh0 n PHE 265 N -4.59 0.86 -1.73 1.91 3.72 -0.96 -4.91 117.46 111.76 1sh0 n PHE 265 Ca 0.18 -0.45 -0.31 0.00 -0.05 0.00 0.00 57.45 56.83 1sh0 n PHE 265 Cb 0.47 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.05 1sh0 n PHE 265 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1sh0 s SER 266 N -1.10 5.53 0.30 4.37 1.04 -0.69 -4.49 113.70 118.66 1sh0 s SER 266 Ca 0.46 1.40 0.03 0.00 0.48 0.00 0.00 55.95 58.32 1sh0 s SER 266 Cb 0.24 -2.30 0.48 0.00 0.10 0.00 0.00 66.02 64.54 1sh0 s SER 266 CO 0.32 -1.32 1.79 0.77 0.98 0.00 0.00 173.24 175.78 1sh0 h SER 267 N -0.63 0.52 -2.72 7.02 4.64 -1.81 -3.34 113.55 117.23 1sh0 h SER 267 Ca -0.45 -0.14 -0.61 0.00 -0.47 0.00 0.00 61.79 60.13 1sh0 h SER 267 Cb 1.22 -0.14 -0.40 0.00 -0.31 0.00 0.00 62.40 62.77 1sh0 h SER 267 CO 0.60 0.68 -0.75 -0.62 -0.87 0.00 0.00 176.83 175.87 1sh0 n GLU 268 N -4.20 1.20 -0.26 4.77 4.71 -1.26 -4.95 120.64 120.64 1sh0 n GLU 268 Ca 0.01 -3.95 0.07 0.00 -0.01 0.00 0.00 57.16 53.28 1sh0 n GLU 268 Cb 0.33 -2.01 0.20 0.00 -1.01 0.00 0.00 31.44 28.94 1sh0 n GLU 268 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1sh0 h PRO 269 N 5.37 0.17 -0.29 3.49 0.11 -1.77 -0.15 132.00 138.93 1sh0 h PRO 269 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1sh0 h PRO 269 Cb 0.81 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1sh0 h PRO 269 CO 0.58 0.11 0.18 1.12 -0.21 0.00 0.00 178.00 179.79 1sh0 h HIS 270 N 0.18 0.37 0.09 0.65 2.07 -1.95 -1.23 115.15 115.33 1sh0 h HIS 270 Ca 0.45 0.01 -0.32 0.00 -2.85 0.00 0.00 60.37 57.66 1sh0 h HIS 270 Cb 0.82 -0.13 -0.02 0.00 2.57 0.00 0.00 27.41 30.65 1sh0 h HIS 270 CO -0.34 0.25 -1.73 -0.07 -3.07 0.00 0.00 177.93 172.97 1sh0 h LEU 271 N 0.40 0.28 -1.10 6.12 3.38 -1.43 -3.35 115.31 119.61 1sh0 h LEU 271 Ca 0.11 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1sh0 h LEU 271 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1sh0 h LEU 271 CO -0.02 1.45 -0.34 0.00 0.09 0.00 0.00 178.44 179.62 1sh0 h ALA 272 N 0.51 1.25 -0.93 1.53 0.00 -0.99 -2.86 119.26 117.76 1sh0 h ALA 272 Ca -0.31 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.40 1sh0 h ALA 272 Cb 2.02 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 1sh0 h ALA 272 CO 0.11 0.52 0.54 0.37 0.00 0.00 0.00 179.25 180.79 1sh0 h GLN 273 N 0.17 0.73 -0.31 0.00 5.75 -1.36 0.91 115.11 121.00 1sh0 h GLN 273 Ca 0.02 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1sh0 h GLN 273 Cb 0.69 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1sh0 h GLN 273 CO 0.05 0.48 0.04 0.28 -2.65 0.00 0.00 178.83 177.04 1sh0 h VAL 274 N 0.75 1.24 -0.35 2.39 2.07 -1.66 -1.77 116.25 118.92 1sh0 h VAL 274 Ca 0.51 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1sh0 h VAL 274 Cb 0.70 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1sh0 h VAL 274 CO -0.35 0.27 0.21 0.58 0.02 0.00 0.00 177.57 178.31 1sh0 h VAL 275 N 0.34 1.06 -0.65 2.57 2.07 -1.39 -2.51 116.25 117.73 1sh0 h VAL 275 Ca 0.09 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1sh0 h VAL 275 Cb 0.36 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1sh0 h VAL 275 CO 0.01 0.08 0.29 0.00 0.02 0.00 0.00 177.57 177.97 1sh0 h ALA 276 N 1.14 0.88 -0.49 1.67 0.00 -0.62 -1.54 119.26 120.30 1sh0 h ALA 276 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1sh0 h ALA 276 Cb -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1sh0 h ALA 276 CO -0.05 -0.12 0.29 0.93 0.00 0.00 0.00 179.25 180.30 1sh0 h GLU 277 N 0.50 0.55 -0.03 0.00 5.08 -1.05 -1.84 114.58 117.79 1sh0 h GLU 277 Ca 0.33 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1sh0 h GLU 277 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1sh0 h GLU 277 CO -0.28 0.36 -0.43 -0.44 -1.00 0.00 0.00 179.01 177.22 1sh0 h ASP 278 N 0.57 0.07 0.19 1.42 3.32 -0.97 -1.87 116.42 119.15 1sh0 h ASP 278 Ca 0.20 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1sh0 h ASP 278 Cb 0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1sh0 h ASP 278 CO -0.10 0.49 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.33 1sh0 h LEU 279 N 0.05 0.40 0.00 1.55 3.38 -0.88 -3.29 115.31 116.52 1sh0 h LEU 279 Ca 0.00 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1sh0 h LEU 279 Cb 0.79 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1sh0 h LEU 279 CO 0.06 0.84 -0.96 -0.07 0.09 0.00 0.00 178.44 178.40 1sh0 h LEU 280 N 0.28 0.00 -9.87 1.67 3.38 -1.01 -3.46 115.31 106.30 1sh0 h LEU 280 Ca 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 1sh0 h LEU 280 Cb 1.01 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.90 1sh0 h LEU 280 CO 0.09 0.89 0.31 -1.20 0.09 0.00 0.00 178.44 178.62 1sh0 n SER 281 N -3.29 1.61 -4.52 -0.43 7.64 -0.73 -4.84 113.62 109.06 1sh0 n SER 281 Ca -0.01 0.92 -0.59 0.00 1.01 0.00 0.00 58.87 60.20 1sh0 n SER 281 Cb 0.90 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1sh0 n SER 281 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1sh0 n PRO 282 N -0.75 0.02 -2.78 1.43 -0.02 -1.26 -4.84 135.00 126.80 1sh0 n PRO 282 Ca 0.11 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 1sh0 n PRO 282 Cb 0.44 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 1sh0 n PRO 282 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sh0 s SER 283 N 0.20 7.24 -0.29 2.55 0.01 0.88 -4.80 113.70 119.49 1sh0 s SER 283 Ca 0.92 1.51 -0.23 0.00 1.31 0.00 0.00 55.95 59.45 1sh0 s SER 283 Cb -1.28 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 62.42 1sh0 s SER 283 CO 0.58 -0.29 0.78 -0.69 0.41 0.00 0.00 173.24 174.03 1sh0 s VAL 284 N 1.32 4.81 -0.07 3.43 1.01 -1.26 -1.01 120.40 128.64 1sh0 s VAL 284 Ca 0.48 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1sh0 s VAL 284 Cb -0.19 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1sh0 s VAL 284 CO 0.23 -0.20 -0.09 0.54 0.00 0.00 0.00 175.10 175.57 1sh0 s VAL 285 N 2.91 0.93 -0.37 2.92 0.11 -0.49 -0.20 120.40 126.21 1sh0 s VAL 285 Ca 0.32 -0.33 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1sh0 s VAL 285 Cb -0.14 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1sh0 s VAL 285 CO 0.11 0.32 0.87 -0.62 -3.33 0.00 0.00 175.10 172.45 1sh0 s ASP 286 N 0.95 6.62 -0.31 3.54 -1.08 -0.23 -0.96 116.67 125.19 1sh0 s ASP 286 Ca -0.10 0.47 0.10 0.00 -0.52 0.00 0.00 52.55 52.50 1sh0 s ASP 286 Cb -0.15 -2.43 0.61 0.00 -1.46 0.00 0.00 42.92 39.49 1sh0 s ASP 286 CO 0.00 -0.81 1.64 1.33 0.52 0.00 0.00 175.17 177.86 1sh0 n VAL 287 N 5.91 2.74 0.00 1.11 0.24 -0.24 -0.77 118.33 127.33 1sh0 n VAL 287 Ca 0.05 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 1sh0 n VAL 287 Cb 0.48 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1sh0 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sh0 n GLY 288 N -0.76 1.95 0.21 7.63 0.00 -1.26 -4.36 105.19 108.59 1sh0 n GLY 288 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1sh0 n GLY 288 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sh0 h ASP 289 N 0.00 -0.49 -5.38 1.61 3.32 -1.95 -3.27 116.42 110.26 1sh0 h ASP 289 Ca 0.00 0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1sh0 h ASP 289 Cb 0.00 0.31 -0.12 0.00 0.22 0.00 0.00 39.33 39.74 1sh0 h ASP 289 CO 0.00 -0.17 -0.34 -0.36 -1.72 0.00 0.00 179.24 176.65 1sh0 s PHE 290 N -6.21 0.67 -0.22 4.55 0.08 -1.26 -4.02 117.98 111.57 1sh0 s PHE 290 Ca -0.14 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 55.81 1sh0 s PHE 290 Cb 0.16 -0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.43 1sh0 s PHE 290 CO 0.71 -0.82 0.22 0.99 -0.10 0.00 0.00 175.22 176.22 1sh0 s THR 291 N -4.07 5.33 0.36 0.64 2.01 0.12 -1.08 115.64 118.96 1sh0 s THR 291 Ca 0.28 0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.64 1sh0 s THR 291 Cb 0.03 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1sh0 s THR 291 CO 0.09 0.34 0.06 0.27 -0.69 0.00 0.00 174.62 174.69 1sh0 s ILE 292 N 0.95 1.20 -0.18 1.82 -4.36 -0.13 -0.09 121.20 120.41 1sh0 s ILE 292 Ca 0.11 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1sh0 s ILE 292 Cb -0.13 -2.71 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 1sh0 s ILE 292 CO 0.04 0.00 -0.12 -0.55 0.24 0.00 0.00 174.94 174.55 1sh0 s SER 293 N -3.56 3.81 -0.33 4.36 0.15 -0.71 -1.40 113.70 116.03 1sh0 s SER 293 Ca 0.32 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1sh0 s SER 293 Cb 0.07 -1.61 0.07 0.00 -1.71 0.00 0.00 66.02 62.85 1sh0 s SER 293 CO 0.15 0.05 0.05 -0.63 1.20 0.00 0.00 173.24 174.05 1sh0 s ILE 294 N 1.05 2.86 -1.72 6.45 -1.09 -0.18 -3.98 121.20 124.60 1sh0 s ILE 294 Ca -0.00 -1.73 0.28 0.00 -2.23 0.00 0.00 60.65 56.96 1sh0 s ILE 294 Cb -0.15 -2.80 0.38 0.00 -1.58 0.00 0.00 42.46 38.32 1sh0 s ILE 294 CO -0.03 -0.32 1.73 -0.46 -1.23 0.00 0.00 174.94 174.64 1sh0 n ASN 295 N 4.54 0.73 -4.21 3.58 0.23 -1.26 -0.08 115.26 118.78 1sh0 n ASN 295 Ca -0.08 -0.73 -0.21 0.00 -0.53 0.00 0.00 54.58 53.02 1sh0 n ASN 295 Cb 0.42 0.02 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 1sh0 n ASN 295 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1sh0 s GLU 296 N -2.47 1.70 0.07 -3.83 0.41 -1.26 -4.70 118.70 108.61 1sh0 s GLU 296 Ca 0.27 -1.98 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 1sh0 s GLU 296 Cb 0.20 -0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.03 1sh0 s GLU 296 CO 0.49 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.31 1sh0 n GLY 297 N -0.71 -1.53 3.65 -1.39 0.00 -0.97 -4.84 105.19 99.41 1sh0 n GLY 297 Ca -0.02 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1sh0 n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sh0 s LEU 298 N -3.47 4.04 -1.07 0.99 2.96 0.09 -4.75 118.68 117.47 1sh0 s LEU 298 Ca 0.00 0.10 -0.23 0.00 -0.22 0.00 0.00 54.13 53.79 1sh0 s LEU 298 Cb 0.00 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1sh0 s LEU 298 CO 0.00 0.09 1.78 -2.84 -1.32 0.00 0.00 176.35 174.07 1sh0 s PRO 299 N 0.88 3.05 -0.43 0.98 0.02 -1.26 -4.63 135.00 133.61 1sh0 s PRO 299 Ca 0.07 -1.00 -0.29 0.00 0.02 0.00 0.00 61.00 59.80 1sh0 s PRO 299 Cb -0.13 -5.26 -0.08 0.00 0.02 0.00 0.00 34.50 29.04 1sh0 s PRO 299 CO 0.03 -3.04 2.35 0.43 -0.33 0.00 0.00 177.00 176.44 1sh0 n SER 300 N 11.84 2.40 0.00 2.53 7.64 -1.26 -0.37 113.62 136.39 1sh0 n SER 300 Ca 0.41 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1sh0 n SER 300 Cb 0.48 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1sh0 n SER 300 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sh0 n GLY 301 N 6.08 1.67 3.56 0.23 0.00 -1.26 0.62 105.19 116.09 1sh0 n GLY 301 Ca 0.38 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.95 1sh0 n GLY 301 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sh0 n VAL 302 N 0.00 1.93 -1.24 1.61 3.14 0.50 -4.41 118.33 119.85 1sh0 n VAL 302 Ca 0.00 -0.48 -0.34 0.00 -2.96 0.00 0.00 64.34 60.55 1sh0 n VAL 302 Cb 0.00 -0.83 0.11 0.00 -1.06 0.00 0.00 33.84 32.06 1sh0 n VAL 302 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sh0 n PRO 303 N 0.82 0.38 -1.57 1.45 -0.02 -1.26 -1.90 135.00 132.91 1sh0 n PRO 303 Ca 0.11 0.20 -0.20 0.00 -2.02 0.00 0.00 63.50 61.59 1sh0 n PRO 303 Cb 0.30 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 1sh0 n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh0 h THR 305 N 0.00 0.02 -0.46 0.00 2.02 -1.73 -1.43 112.91 111.33 1sh0 h THR 305 Ca -0.40 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1sh0 h THR 305 Cb 1.29 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1sh0 h THR 305 CO 0.59 0.00 0.12 0.77 0.37 0.00 0.00 175.52 177.37 1sh0 h SER 306 N -0.17 0.69 -0.07 4.18 4.64 -1.90 -1.18 113.55 119.74 1sh0 h SER 306 Ca 0.15 -0.23 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 1sh0 h SER 306 Cb 0.51 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1sh0 h SER 306 CO -0.79 0.74 -0.63 1.56 -0.87 0.00 0.00 176.83 176.84 1sh0 h GLN 307 N 0.61 0.56 -0.09 4.77 7.50 -1.94 0.37 115.11 126.89 1sh0 h GLN 307 Ca 0.14 -0.50 0.02 0.00 0.50 0.00 0.00 58.65 58.82 1sh0 h GLN 307 Cb 0.31 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1sh0 h GLN 307 CO 0.00 1.13 -0.06 2.35 -1.50 0.00 0.00 178.83 180.75 1sh0 h TRP 308 N 0.16 -0.13 -0.82 2.96 7.01 -1.21 -1.40 115.95 122.52 1sh0 h TRP 308 Ca -0.06 0.01 0.03 0.00 2.11 0.00 0.00 58.89 60.99 1sh0 h TRP 308 Cb 1.29 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.38 1sh0 h TRP 308 CO 0.12 -0.09 0.52 -0.97 -2.79 0.00 0.00 178.44 175.23 1sh0 h ASN 309 N -0.06 0.86 -0.42 2.65 -1.24 -1.19 -1.68 115.58 114.51 1sh0 h ASN 309 Ca 0.06 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 1sh0 h ASN 309 Cb 0.14 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1sh0 h ASN 309 CO -0.13 0.59 0.14 0.28 -1.29 0.00 0.00 177.43 177.02 1sh0 h SER 310 N 1.01 0.67 -0.26 1.15 0.02 -0.53 0.17 113.55 115.78 1sh0 h SER 310 Ca 0.33 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1sh0 h SER 310 Cb 0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1sh0 h SER 310 CO -0.11 0.65 -0.55 0.40 -1.14 0.00 0.00 176.83 176.07 1sh0 h ILE 311 N 0.71 1.28 -0.70 3.27 2.04 -0.88 0.32 117.51 123.54 1sh0 h ILE 311 Ca 0.16 -1.74 0.06 0.00 1.00 0.00 0.00 64.86 64.34 1sh0 h ILE 311 Cb 0.23 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1sh0 h ILE 311 CO -0.01 0.56 0.40 0.00 0.00 0.00 0.00 178.15 179.10 1sh0 h ALA 312 N 0.65 0.95 -0.44 1.87 0.00 -1.07 0.67 119.26 121.89 1sh0 h ALA 312 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sh0 h ALA 312 Cb 1.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1sh0 h ALA 312 CO 0.12 0.08 0.19 1.25 0.00 0.00 0.00 179.25 180.89 1sh0 h HIS 313 N 0.73 0.65 -0.53 0.00 6.17 -0.82 -0.50 115.15 120.86 1sh0 h HIS 313 Ca 0.31 -0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.39 1sh0 h HIS 313 Cb 0.19 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 29.88 1sh0 h HIS 313 CO -0.07 0.56 0.29 2.35 0.71 0.00 0.00 177.93 181.76 1sh0 h TRP 314 N 0.56 0.53 0.16 5.26 2.91 -0.49 -1.46 115.95 123.41 1sh0 h TRP 314 Ca 0.15 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.18 1sh0 h TRP 314 Cb 0.17 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1sh0 h TRP 314 CO -0.00 0.27 -0.10 -0.07 -1.03 0.00 0.00 178.44 177.51 1sh0 h LEU 315 N 0.56 -0.25 -1.09 0.65 3.38 -0.62 -2.29 115.31 115.64 1sh0 h LEU 315 Ca 0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1sh0 h LEU 315 Cb 0.10 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1sh0 h LEU 315 CO -0.14 -0.16 0.49 -0.07 0.09 0.00 0.00 178.44 178.64 1sh0 h LEU 316 N -0.25 0.98 -0.07 1.67 3.38 -0.87 -0.54 115.31 119.61 1sh0 h LEU 316 Ca -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1sh0 h LEU 316 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sh0 h LEU 316 CO 0.01 0.76 -0.09 0.74 0.09 0.00 0.00 178.44 179.94 1sh0 h THR 317 N 1.13 1.39 -0.32 0.22 2.02 -1.25 -0.14 112.91 115.95 1sh0 h THR 317 Ca 0.29 -1.31 0.05 0.00 0.77 0.00 0.00 66.41 66.22 1sh0 h THR 317 Cb -0.04 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1sh0 h THR 317 CO -0.05 0.36 0.05 -0.07 0.37 0.00 0.00 175.52 176.18 1sh0 h LEU 318 N -0.26 -0.01 -0.14 2.58 3.38 -1.26 -1.16 115.31 118.44 1sh0 h LEU 318 Ca 0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sh0 h LEU 318 Cb 0.63 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1sh0 h LEU 318 CO 0.02 0.03 0.08 0.00 0.09 0.00 0.00 178.44 178.66 1sh0 h ALA 320 N 1.00 0.12 -0.55 0.00 0.00 -0.86 -0.34 119.26 118.63 1sh0 h ALA 320 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1sh0 h ALA 320 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sh0 h ALA 320 CO -0.01 -0.39 0.04 -0.07 0.00 0.00 0.00 179.25 178.83 1sh0 h LEU 321 N 0.11 0.87 -0.50 0.00 3.38 -1.15 -1.96 115.31 116.07 1sh0 h LEU 321 Ca 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1sh0 h LEU 321 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1sh0 h LEU 321 CO -0.01 0.91 0.28 -1.28 0.09 0.00 0.00 178.44 178.43 1sh0 h SER 322 N 0.85 0.62 0.12 -0.43 0.87 -0.86 -2.28 113.55 112.43 1sh0 h SER 322 Ca 0.17 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 1sh0 h SER 322 Cb 0.44 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1sh0 h SER 322 CO 0.02 0.53 -0.45 -0.33 -0.53 0.00 0.00 176.83 176.07 1sh0 h GLU 323 N 0.66 0.40 0.00 2.24 5.08 -0.72 -0.84 114.58 121.40 1sh0 h GLU 323 Ca 0.18 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sh0 h GLU 323 Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sh0 h GLU 323 CO -0.03 0.78 -0.75 -0.39 -1.00 0.00 0.00 179.01 177.62 1sh0 h VAL 324 N 0.33 0.00 0.00 3.13 -1.51 -1.33 -3.33 116.25 113.53 1sh0 h VAL 324 Ca 0.02 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1sh0 h VAL 324 Cb 0.92 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1sh0 h VAL 324 CO 0.08 0.00 -0.94 0.35 -1.23 0.00 0.00 177.57 175.83 1sh0 n THR 325 N -2.60 0.00 -3.59 7.19 -2.24 -0.86 -4.89 114.28 107.28 1sh0 n THR 325 Ca 0.01 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 1sh0 n THR 325 Cb 0.52 0.95 0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1sh0 n THR 325 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sh0 n ASN 326 N -1.48 -4.83 -4.50 3.42 5.15 -0.34 -5.02 115.26 107.66 1sh0 n ASN 326 Ca 0.03 -0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 53.14 1sh0 n ASN 326 Cb 0.30 -3.89 -0.11 0.00 -0.53 0.00 0.00 39.78 35.55 1sh0 n ASN 326 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sh0 s LEU 327 N -6.96 2.77 0.60 1.20 1.43 -1.10 -5.06 118.68 111.55 1sh0 s LEU 327 Ca 0.53 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1sh0 s LEU 327 Cb -0.26 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1sh0 s LEU 327 CO 0.65 0.21 1.25 -0.94 0.23 0.00 0.00 176.35 177.75 1sh0 s SER 328 N -1.87 5.05 0.48 2.29 1.04 -1.26 -4.36 113.70 115.07 1sh0 s SER 328 Ca 0.17 2.50 0.24 0.00 0.48 0.00 0.00 55.95 59.34 1sh0 s SER 328 Cb -0.11 -2.61 1.28 0.00 0.10 0.00 0.00 66.02 64.69 1sh0 s SER 328 CO 0.09 -1.70 1.88 -0.65 0.98 0.00 0.00 173.24 173.85 1sh0 h PRO 329 N 0.88 0.19 -0.71 4.02 0.11 -1.90 -0.86 132.00 133.73 1sh0 h PRO 329 Ca -0.51 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1sh0 h PRO 329 Cb 1.31 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1sh0 h PRO 329 CO 0.55 0.12 0.29 -0.44 -0.21 0.00 0.00 178.00 178.31 1sh0 h ASP 330 N 0.19 0.97 -0.08 -2.05 3.32 -1.90 0.04 116.42 116.91 1sh0 h ASP 330 Ca 0.43 -0.17 -0.19 0.00 0.02 0.00 0.00 57.03 57.12 1sh0 h ASP 330 Cb 1.38 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1sh0 h ASP 330 CO -0.09 0.88 -0.64 0.40 -1.72 0.00 0.00 179.24 178.07 1sh0 h ILE 331 N 1.01 1.30 0.45 0.35 2.04 -1.56 -1.23 117.51 119.88 1sh0 h ILE 331 Ca 0.24 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 1sh0 h ILE 331 Cb 0.20 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1sh0 h ILE 331 CO -0.02 0.59 -0.26 0.40 0.00 0.00 0.00 178.15 178.86 1sh0 h ILE 332 N 0.51 0.47 -0.81 -0.67 1.08 -1.04 -2.31 117.51 114.74 1sh0 h ILE 332 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 1sh0 h ILE 332 Cb 1.23 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 35.38 1sh0 h ILE 332 CO 0.13 0.00 0.46 -0.61 -0.69 0.00 0.00 178.15 177.44 1sh0 h GLN 333 N -0.67 0.76 0.00 2.37 5.75 -0.98 -0.52 115.11 121.82 1sh0 h GLN 333 Ca -0.05 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1sh0 h GLN 333 Cb 0.54 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1sh0 h GLN 333 CO 0.07 0.50 0.00 0.00 -2.65 0.00 0.00 178.83 176.75 1sh0 h ALA 334 N 1.44 1.00 0.00 3.38 0.00 -1.05 -3.14 119.26 120.89 1sh0 h ALA 334 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1sh0 h ALA 334 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sh0 h ALA 334 CO -0.24 0.00 -0.06 0.09 0.00 0.00 0.00 179.25 179.04 1sh0 n ASN 335 N -2.94 1.76 -4.24 0.00 3.02 -0.34 -5.04 115.26 107.48 1sh0 n ASN 335 Ca -0.00 -2.44 -0.13 0.00 -0.03 0.00 0.00 54.58 51.97 1sh0 n ASN 335 Cb 0.21 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 1sh0 n ASN 335 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sh0 s SER 336 N -1.82 1.04 -0.04 6.41 0.01 -0.43 -0.81 113.70 118.06 1sh0 s SER 336 Ca 0.15 -1.23 -0.00 0.00 1.31 0.00 0.00 55.95 56.18 1sh0 s SER 336 Cb 0.13 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1sh0 s SER 336 CO 0.01 -0.64 0.01 -0.22 0.41 0.00 0.00 173.24 172.82 1sh0 s LEU 337 N -3.18 0.94 0.07 2.44 2.96 0.12 -4.88 118.68 117.15 1sh0 s LEU 337 Ca 0.27 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1sh0 s LEU 337 Cb 0.07 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.46 1sh0 s LEU 337 CO 0.06 -0.13 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.47 1sh0 s PHE 338 N 1.33 2.69 -0.10 5.38 0.08 -1.26 -0.93 117.98 125.16 1sh0 s PHE 338 Ca -0.05 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1sh0 s PHE 338 Cb -0.13 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1sh0 s PHE 338 CO -0.02 0.37 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.23 1sh0 s SER 339 N -1.88 2.18 0.04 1.36 0.01 -0.48 -4.24 113.70 110.69 1sh0 s SER 339 Ca 0.18 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.15 1sh0 s SER 339 Cb -0.11 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 1sh0 s SER 339 CO 0.10 -0.03 -0.18 -0.36 0.41 0.00 0.00 173.24 173.18 1sh0 s PHE 340 N 1.18 1.57 -0.37 2.43 0.08 0.72 -1.40 117.98 122.20 1sh0 s PHE 340 Ca -0.04 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1sh0 s PHE 340 Cb -0.14 -0.94 0.15 0.00 -0.57 0.00 0.00 43.02 41.52 1sh0 s PHE 340 CO -0.03 0.06 0.27 -0.47 -0.10 0.00 0.00 175.22 174.95 1sh0 s TYR 341 N -0.78 0.59 0.00 0.36 6.14 -0.55 -1.01 117.35 122.10 1sh0 s TYR 341 Ca 0.05 -1.61 0.00 0.00 0.64 0.00 0.00 57.07 56.15 1sh0 s TYR 341 Cb -0.08 -0.81 0.00 0.00 0.42 0.00 0.00 41.96 41.49 1sh0 s TYR 341 CO 0.01 -0.86 0.00 0.41 0.64 0.00 0.00 175.55 175.76 1sh0 n GLY 342 N 3.84 3.55 0.15 8.97 0.00 -1.25 -2.10 105.19 118.35 1sh0 n GLY 342 Ca 0.15 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1sh0 n GLY 342 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sh0 h ASP 343 N 0.00 0.00 -3.70 1.61 2.03 -1.92 -3.40 116.42 111.04 1sh0 h ASP 343 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 1sh0 h ASP 343 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1sh0 h ASP 343 CO 0.00 0.00 0.45 -0.62 -1.03 0.00 0.00 179.24 178.04 1sh0 s ASP 344 N -4.80 7.34 0.04 4.15 -1.08 -0.89 -4.64 116.67 116.79 1sh0 s ASP 344 Ca 0.07 2.14 -0.06 0.00 -0.52 0.00 0.00 52.55 54.18 1sh0 s ASP 344 Cb 0.10 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1sh0 s ASP 344 CO 0.54 -0.12 0.11 -1.83 0.52 0.00 0.00 175.17 174.40 1sh0 s GLU 345 N -0.96 0.60 -0.07 4.34 -1.05 -1.26 -1.48 118.70 118.83 1sh0 s GLU 345 Ca 0.46 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1sh0 s GLU 345 Cb -0.30 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1sh0 s GLU 345 CO 0.37 -0.16 -0.05 0.42 0.95 0.00 0.00 175.26 176.79 1sh0 s ILE 346 N -2.59 0.69 -0.21 1.83 1.01 -0.50 -4.67 121.20 116.77 1sh0 s ILE 346 Ca -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1sh0 s ILE 346 Cb -0.01 -0.73 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 1sh0 s ILE 346 CO -0.04 0.28 -0.08 -0.69 0.00 0.00 0.00 174.94 174.41 1sh0 s VAL 347 N 1.32 3.07 -0.04 2.92 1.01 0.23 -1.38 120.40 127.53 1sh0 s VAL 347 Ca -0.04 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1sh0 s VAL 347 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1sh0 s VAL 347 CO -0.03 0.45 -0.21 -0.44 0.00 0.00 0.00 175.10 174.88 1sh0 s SER 348 N 1.37 3.43 0.08 3.32 0.01 -0.10 -0.95 113.70 120.85 1sh0 s SER 348 Ca 0.05 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 1sh0 s SER 348 Cb -0.14 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.47 1sh0 s SER 348 CO -0.05 0.31 0.36 0.28 0.41 0.00 0.00 173.24 174.55 1sh0 s THR 349 N -0.54 0.08 -1.02 1.44 -1.32 0.10 0.15 115.64 114.52 1sh0 s THR 349 Ca 0.08 -0.63 0.24 0.00 -1.21 0.00 0.00 61.69 60.17 1sh0 s THR 349 Cb -0.11 -1.07 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1sh0 s THR 349 CO 0.01 -0.35 1.23 0.47 -2.21 0.00 0.00 174.62 173.77 1sh0 n ASP 350 N 0.20 0.70 -4.69 8.08 8.00 0.01 -0.02 116.55 128.84 1sh0 n ASP 350 Ca -0.17 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.38 1sh0 n ASP 350 Cb 0.61 0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 42.19 1sh0 n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sh0 s ILE 351 N -2.99 4.93 0.03 0.53 1.01 -1.26 -4.89 121.20 118.56 1sh0 s ILE 351 Ca 0.10 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 1sh0 s ILE 351 Cb 0.17 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 1sh0 s ILE 351 CO 0.76 0.11 1.73 -0.75 0.00 0.00 0.00 174.94 176.79 1sh0 s LYS 352 N 1.57 4.18 0.09 2.79 2.20 -1.26 -4.92 119.74 124.39 1sh0 s LYS 352 Ca 0.40 2.37 0.06 0.00 -0.36 0.00 0.00 55.97 58.44 1sh0 s LYS 352 Cb -0.18 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1sh0 s LYS 352 CO 0.17 -0.82 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.75 1sh0 s LEU 353 N 3.40 3.15 -0.33 5.43 1.43 -1.26 -5.00 118.68 125.50 1sh0 s LEU 353 Ca 0.77 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 1sh0 s LEU 353 Cb -0.39 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1sh0 s LEU 353 CO 0.34 0.19 0.44 -0.62 0.23 0.00 0.00 176.35 176.93 1sh0 s ASP 354 N -2.16 6.27 0.21 2.29 -1.08 -1.26 -4.98 116.67 115.96 1sh0 s ASP 354 Ca 0.22 0.02 -0.09 0.00 -0.52 0.00 0.00 52.55 52.18 1sh0 s ASP 354 Cb -0.11 -2.24 0.15 0.00 -1.46 0.00 0.00 42.92 39.26 1sh0 s ASP 354 CO 0.14 -0.37 1.81 -0.65 0.52 0.00 0.00 175.17 176.62 1sh0 h PRO 355 N 8.37 1.10 -0.37 4.34 0.11 -1.99 -1.68 132.00 141.88 1sh0 h PRO 355 Ca -0.29 -0.15 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 1sh0 h PRO 355 Cb 1.14 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1sh0 h PRO 355 CO 0.72 0.84 -0.15 0.93 -0.21 0.00 0.00 178.00 180.14 1sh0 h GLU 356 N 1.09 0.76 -0.47 1.05 5.08 -1.94 -1.54 114.58 118.61 1sh0 h GLU 356 Ca 0.27 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1sh0 h GLU 356 Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sh0 h GLU 356 CO -0.04 0.93 0.04 0.87 -1.00 0.00 0.00 179.01 179.81 1sh0 h LYS 357 N 0.56 0.80 -0.15 2.33 1.57 -1.97 -2.09 116.57 117.62 1sh0 h LYS 357 Ca 0.09 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1sh0 h LYS 357 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1sh0 h LYS 357 CO 0.05 0.83 0.08 1.25 -0.57 0.00 0.00 179.45 181.09 1sh0 h LEU 358 N 0.66 0.19 -0.25 2.94 5.85 -1.23 0.37 115.31 123.83 1sh0 h LEU 358 Ca 0.14 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1sh0 h LEU 358 Cb 0.45 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1sh0 h LEU 358 CO 0.02 0.22 -0.20 0.74 -0.34 0.00 0.00 178.44 178.88 1sh0 h THR 359 N 0.14 0.46 -0.56 1.05 2.02 -1.28 -1.81 112.91 112.93 1sh0 h THR 359 Ca 0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1sh0 h THR 359 Cb 0.07 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1sh0 h THR 359 CO -0.01 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.05 1sh0 h ALA 360 N 0.92 1.25 -0.20 6.16 0.00 -1.10 -2.18 119.26 124.11 1sh0 h ALA 360 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sh0 h ALA 360 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sh0 h ALA 360 CO -0.37 0.53 0.05 -0.22 0.00 0.00 0.00 179.25 179.24 1sh0 h LYS 361 N 0.82 0.32 -0.91 0.00 1.63 -0.62 -0.25 116.57 117.55 1sh0 h LYS 361 Ca 0.18 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1sh0 h LYS 361 Cb 0.25 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1sh0 h LYS 361 CO -0.01 0.45 0.60 -0.07 -3.45 0.00 0.00 179.45 176.98 1sh0 h LEU 362 N 0.14 1.02 -0.80 5.20 3.38 -1.19 -2.25 115.31 120.79 1sh0 h LEU 362 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1sh0 h LEU 362 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1sh0 h LEU 362 CO 0.00 0.72 -0.18 0.11 0.09 0.00 0.00 178.44 179.18 1sh0 h LYS 363 N 1.19 0.71 -0.33 1.13 1.57 -1.23 -1.97 116.57 117.63 1sh0 h LYS 363 Ca 0.35 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1sh0 h LYS 363 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1sh0 h LYS 363 CO -0.09 0.84 0.21 1.49 -0.57 0.00 0.00 179.45 181.33 1sh0 h GLU 364 N 0.63 0.44 0.00 3.15 4.81 -0.49 0.33 114.58 123.45 1sh0 h GLU 364 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1sh0 h GLU 364 Cb 0.65 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1sh0 h GLU 364 CO 0.05 0.30 0.00 0.66 -0.73 0.00 0.00 179.01 179.29 1sh0 n TYR 365 N -4.47 0.00 -0.54 0.92 4.01 -0.91 0.19 117.16 116.36 1sh0 n TYR 365 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1sh0 n TYR 365 Cb 0.07 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 1sh0 n TYR 365 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh0 n GLY 366 N 0.22 0.76 3.82 2.72 0.00 0.11 -4.24 105.19 108.59 1sh0 n GLY 366 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1sh0 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh0 s LEU 367 N 0.00 3.31 -0.62 0.99 1.43 -0.78 -4.81 118.68 118.20 1sh0 s LEU 367 Ca 0.00 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1sh0 s LEU 367 Cb 0.00 -4.50 0.24 0.00 0.03 0.00 0.00 46.19 41.96 1sh0 s LEU 367 CO 0.00 -1.19 0.69 0.29 0.23 0.00 0.00 176.35 176.37 1sh0 n LYS 368 N -2.59 2.25 -2.02 1.70 5.02 -1.26 -4.09 118.16 117.17 1sh0 n LYS 368 Ca 0.08 -4.49 -0.38 0.00 -2.02 0.00 0.00 58.31 51.49 1sh0 n LYS 368 Cb 0.53 -2.15 0.01 0.00 -0.02 0.00 0.00 35.03 33.41 1sh0 n LYS 368 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1sh0 s PRO 369 N -2.22 3.53 0.02 1.97 0.04 -1.26 -1.57 135.00 135.51 1sh0 s PRO 369 Ca 0.38 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.49 1sh0 s PRO 369 Cb 0.13 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1sh0 s PRO 369 CO -0.04 -0.82 -0.13 0.95 0.04 0.00 0.00 177.00 177.00 1sh0 s THR 370 N -1.40 1.03 0.38 1.26 -4.23 -0.95 -4.91 115.64 106.83 1sh0 s THR 370 Ca 0.66 -0.85 -0.20 0.00 -1.18 0.00 0.00 61.69 60.12 1sh0 s THR 370 Cb -0.35 -0.92 -0.10 0.00 1.34 0.00 0.00 72.50 72.46 1sh0 s THR 370 CO 0.43 0.07 0.89 -0.60 -0.54 0.00 0.00 174.62 174.86 1sh0 s ARG 371 N -0.89 4.21 -0.88 3.99 3.52 -1.26 -3.65 118.95 123.98 1sh0 s ARG 371 Ca 0.02 1.01 -0.20 0.00 -0.13 0.00 0.00 55.73 56.44 1sh0 s ARG 371 Cb -0.07 -2.33 -0.23 0.00 -1.56 0.00 0.00 34.95 30.76 1sh0 s ARG 371 CO 0.01 0.06 2.37 -2.30 -0.81 0.00 0.00 175.30 174.63 1sh0 n PRO 372 N -0.40 0.27 -1.40 5.12 -0.02 -1.26 -3.44 135.00 133.86 1sh0 n PRO 372 Ca 0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1sh0 n PRO 372 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1sh0 n PRO 372 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sh0 n ASP 373 N 11.17 0.00 -2.54 2.55 9.92 -1.26 -4.68 116.55 131.70 1sh0 n ASP 373 Ca 0.59 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.69 1sh0 n ASP 373 Cb 0.24 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.74 1sh0 n ASP 373 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sh0 n LYS 374 N -0.55 2.33 -1.91 -1.24 4.81 -1.22 -5.10 118.16 115.27 1sh0 n LYS 374 Ca 0.00 -3.84 -0.42 0.00 -0.87 0.00 0.00 58.31 53.18 1sh0 n LYS 374 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 35.03 33.24 1sh0 n LYS 374 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1sh0 s THR 375 N -4.23 2.94 0.00 3.15 -4.23 -1.26 -4.65 115.64 107.36 1sh0 s THR 375 Ca 0.37 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1sh0 s THR 375 Cb 0.41 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1sh0 s THR 375 CO -0.05 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.24 1sh0 n GLU 376 N 5.39 0.00 0.00 3.99 4.07 -1.26 -5.07 120.64 127.76 1sh0 n GLU 376 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1sh0 n GLU 376 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 1sh0 n GLU 376 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sh0 n GLY 377 N -1.02 2.46 3.80 8.31 0.00 -1.26 -5.15 105.19 112.32 1sh0 n GLY 377 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1sh0 n GLY 377 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh0 s PRO 378 N 2.30 4.30 0.73 1.61 0.02 -1.26 -4.79 135.00 137.90 1sh0 s PRO 378 Ca 0.00 1.25 -0.14 0.00 0.02 0.00 0.00 61.00 62.12 1sh0 s PRO 378 Cb 0.00 -2.40 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1sh0 s PRO 378 CO 0.00 0.02 1.18 -0.48 -0.33 0.00 0.00 177.00 177.39 1sh0 s LEU 379 N -2.80 3.28 -0.24 -5.54 2.34 -1.26 -4.80 118.68 109.66 1sh0 s LEU 379 Ca 0.58 2.24 -0.09 0.00 0.06 0.00 0.00 54.13 56.93 1sh0 s LEU 379 Cb -0.14 -4.58 -0.04 0.00 -0.56 0.00 0.00 46.19 40.87 1sh0 s LEU 379 CO 0.18 -2.18 0.11 -0.69 -1.06 0.00 0.00 176.35 172.72 1sh0 s VAL 380 N -2.15 4.88 -0.22 1.48 1.01 -1.26 -4.85 120.40 119.29 1sh0 s VAL 380 Ca 0.71 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 1sh0 s VAL 380 Cb -0.26 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1sh0 s VAL 380 CO 0.46 0.35 0.30 -0.63 0.00 0.00 0.00 175.10 175.57 1sh0 s ILE 381 N 1.22 5.26 0.22 2.22 1.01 -1.26 -4.53 121.20 125.34 1sh0 s ILE 381 Ca 0.06 0.48 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1sh0 s ILE 381 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1sh0 s ILE 381 CO 0.05 0.28 0.22 -0.55 0.00 0.00 0.00 174.94 174.94 1sh0 s SER 382 N 1.10 5.71 -0.16 3.58 0.15 0.87 -4.91 113.70 120.03 1sh0 s SER 382 Ca 0.14 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.81 1sh0 s SER 382 Cb -0.14 -1.52 0.56 0.00 -1.71 0.00 0.00 66.02 63.21 1sh0 s SER 382 CO 0.07 -0.01 1.47 -0.62 1.20 0.00 0.00 173.24 175.34 1sh0 n GLU 383 N -0.98 3.27 -3.68 5.44 1.02 -1.26 -0.28 120.64 124.16 1sh0 n GLU 383 Ca -0.08 -2.81 -0.19 0.00 -0.02 0.00 0.00 57.16 54.06 1sh0 n GLU 383 Cb 0.57 -1.85 -0.18 0.00 -0.02 0.00 0.00 31.44 29.96 1sh0 n GLU 383 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh0 s ASP 384 N -1.61 0.97 0.38 1.62 -1.08 -1.26 -4.90 116.67 110.79 1sh0 s ASP 384 Ca 0.43 0.09 0.17 0.00 -0.52 0.00 0.00 52.55 52.72 1sh0 s ASP 384 Cb 0.33 -0.11 0.74 0.00 -1.46 0.00 0.00 42.92 42.42 1sh0 s ASP 384 CO 0.12 -0.23 1.78 0.25 0.52 0.00 0.00 175.17 177.60 1sh0 h LEU 385 N 8.28 0.00 -9.32 -1.34 5.85 -1.94 -3.44 115.31 113.40 1sh0 h LEU 385 Ca -0.17 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.92 1sh0 h LEU 385 Cb 1.12 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.19 1sh0 h LEU 385 CO 0.19 0.38 0.87 0.59 -0.34 0.00 0.00 178.44 180.13 1sh0 n ASN 386 N -3.73 2.87 0.00 1.25 3.02 -1.26 -2.18 115.26 115.22 1sh0 n ASN 386 Ca -0.01 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1sh0 n ASN 386 Cb 0.46 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1sh0 n ASN 386 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sh0 n GLY 387 N 3.77 2.75 3.77 7.41 0.00 -0.63 -5.02 105.19 117.24 1sh0 n GLY 387 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1sh0 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh0 s LEU 388 N 0.00 3.47 0.06 0.99 1.02 -0.93 -4.69 118.68 118.60 1sh0 s LEU 388 Ca 0.00 2.05 0.08 0.00 0.02 0.00 0.00 54.13 56.28 1sh0 s LEU 388 Cb 0.00 -4.56 -0.03 0.00 0.02 0.00 0.00 46.19 41.62 1sh0 s LEU 388 CO 0.00 -1.56 -0.21 0.42 0.02 0.00 0.00 176.35 175.02 1sh0 s THR 389 N -2.20 1.70 -0.18 5.49 -4.23 -1.26 -0.23 115.64 114.73 1sh0 s THR 389 Ca 0.68 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1sh0 s THR 389 Cb -0.22 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1sh0 s THR 389 CO 0.38 0.15 0.44 0.12 -0.54 0.00 0.00 174.62 175.17 1sh0 s PHE 390 N -0.89 -0.60 -1.48 3.99 5.36 -0.42 -4.72 117.98 119.22 1sh0 s PHE 390 Ca 0.07 1.32 -0.13 0.00 -0.96 0.00 0.00 56.93 57.23 1sh0 s PHE 390 Cb -0.09 0.27 0.10 0.00 -0.34 0.00 0.00 43.02 42.95 1sh0 s PHE 390 CO 0.02 -0.33 0.73 1.28 -1.46 0.00 0.00 175.22 175.46 1sh0 n LEU 391 N 3.89 -1.94 -0.28 6.12 4.77 -1.26 -0.87 117.00 127.44 1sh0 n LEU 391 Ca -0.20 -0.66 -0.04 0.00 -0.03 0.00 0.00 56.01 55.08 1sh0 n LEU 391 Cb 0.56 -2.28 -0.02 0.00 -2.33 0.00 0.00 43.42 39.35 1sh0 n LEU 391 CO 0.08 0.29 -0.03 0.54 -1.33 0.00 0.00 177.39 176.94 1sh0 n ARG 392 N -4.21 -0.83 -4.26 3.23 1.74 -1.26 -4.99 116.66 106.08 1sh0 n ARG 392 Ca 0.03 0.46 -0.35 0.00 -0.77 0.00 0.00 57.85 57.21 1sh0 n ARG 392 Cb 0.52 -4.23 -0.09 0.00 -1.02 0.00 0.00 32.46 27.64 1sh0 n ARG 392 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1sh0 s ARG 393 N -1.63 3.21 -0.16 5.56 3.00 -0.05 -0.91 118.95 127.98 1sh0 s ARG 393 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 55.73 55.11 1sh0 s ARG 393 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 34.95 32.03 1sh0 s ARG 393 CO 0.00 0.63 0.83 0.99 0.00 0.00 0.00 175.30 177.75 1sh0 s THR 394 N -0.67 4.89 -0.03 0.02 2.01 0.39 -1.29 115.64 120.95 1sh0 s THR 394 Ca 0.11 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.45 1sh0 s THR 394 Cb -0.12 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1sh0 s THR 394 CO 0.02 0.05 1.36 -0.69 -0.69 0.00 0.00 174.62 174.67 1sh0 s VAL 395 N 2.02 3.88 -0.00 3.82 1.01 0.68 -1.64 120.40 130.16 1sh0 s VAL 395 Ca 0.39 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.62 1sh0 s VAL 395 Cb -0.17 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1sh0 s VAL 395 CO 0.13 -0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.22 1sh0 s THR 396 N 2.60 0.81 -0.15 3.92 2.01 -0.06 -1.61 115.64 123.16 1sh0 s THR 396 Ca 0.62 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 1sh0 s THR 396 Cb -0.29 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1sh0 s THR 396 CO 0.24 0.18 -0.05 -0.60 -0.69 0.00 0.00 174.62 173.70 1sh0 s ARG 397 N -0.38 3.64 0.16 4.92 6.06 -1.26 -1.56 118.95 130.53 1sh0 s ARG 397 Ca 0.03 -0.53 0.02 0.00 -2.50 0.00 0.00 55.73 52.75 1sh0 s ARG 397 Cb -0.04 -2.89 -0.01 0.00 0.06 0.00 0.00 34.95 32.07 1sh0 s ARG 397 CO -0.00 0.25 0.08 -0.40 -2.50 0.00 0.00 175.30 172.73 1sh0 n ASP 398 N 3.51 0.56 -0.05 -2.12 5.75 -0.55 -5.02 116.55 118.62 1sh0 n ASP 398 Ca -0.17 -1.94 0.17 0.00 -0.01 0.00 0.00 54.79 52.83 1sh0 n ASP 398 Cb 0.52 0.55 0.60 0.00 -1.03 0.00 0.00 41.12 41.76 1sh0 n ASP 398 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1sh0 h PRO 399 N 0.00 0.19 0.00 0.11 0.11 -2.04 -2.61 132.00 127.76 1sh0 h PRO 399 Ca -0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1sh0 h PRO 399 Cb 0.52 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1sh0 h PRO 399 CO 0.19 0.13 -0.53 0.00 -0.21 0.00 0.00 178.00 177.58 1sh0 h ALA 400 N 1.72 0.73 0.00 -0.75 0.00 -2.01 -3.50 119.26 115.45 1sh0 h ALA 400 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1sh0 h ALA 400 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sh0 h ALA 400 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1sh0 n GLY 401 N 1.16 0.46 3.90 0.00 0.00 -0.98 -5.11 105.19 104.61 1sh0 n GLY 401 Ca 0.02 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1sh0 n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sh0 s TRP 402 N -3.15 3.52 0.11 1.61 0.52 -1.26 -1.49 118.94 118.80 1sh0 s TRP 402 Ca 0.00 0.48 -0.26 0.00 0.02 0.00 0.00 56.10 56.35 1sh0 s TRP 402 Cb 0.00 -1.94 0.08 0.00 -1.15 0.00 0.00 33.47 30.46 1sh0 s TRP 402 CO 0.00 0.53 0.81 -0.59 0.02 0.00 0.00 176.95 177.72 1sh0 s PHE 403 N -1.51 -0.34 -0.18 -1.98 -0.71 -0.60 -3.71 117.98 108.96 1sh0 s PHE 403 Ca 0.35 0.11 -0.05 0.00 -1.04 0.00 0.00 56.93 56.30 1sh0 s PHE 403 Cb -0.13 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1sh0 s PHE 403 CO 0.23 -0.77 0.00 0.20 -1.34 0.00 0.00 175.22 173.55 1sh0 s GLY 404 N -2.70 1.78 -0.18 1.99 0.00 -1.26 -0.88 107.32 106.07 1sh0 s GLY 404 Ca 0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 1sh0 s GLY 404 CO -0.06 0.05 0.02 -1.59 0.00 0.00 0.00 173.10 171.53 1sh0 s LYS 405 N 0.54 3.84 0.21 2.90 -2.85 -0.65 -4.84 119.74 118.89 1sh0 s LYS 405 Ca -0.01 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 1sh0 s LYS 405 Cb -0.14 -3.10 -0.09 0.00 -2.06 0.00 0.00 37.83 32.44 1sh0 s LYS 405 CO 0.02 0.24 1.39 -1.17 0.10 0.00 0.00 175.35 175.93 1sh0 s LEU 406 N 0.43 4.40 0.13 2.77 2.96 -1.26 -0.46 118.68 127.65 1sh0 s LEU 406 Ca 0.00 2.53 -0.35 0.00 -0.22 0.00 0.00 54.13 56.10 1sh0 s LEU 406 Cb -0.13 -3.61 -0.16 0.00 0.50 0.00 0.00 46.19 42.78 1sh0 s LEU 406 CO 0.01 -0.63 1.21 -0.62 -1.32 0.00 0.00 176.35 175.00 1sh0 n GLU 407 N 2.66 1.06 -0.33 1.98 1.02 -0.09 -4.82 120.64 122.12 1sh0 n GLU 407 Ca 0.07 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.71 1sh0 n GLU 407 Cb 0.41 -1.92 0.33 0.00 -0.02 0.00 0.00 31.44 30.24 1sh0 n GLU 407 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1sh0 h GLN 408 N 3.72 0.76 -0.20 3.49 4.20 -1.91 -1.40 115.11 123.77 1sh0 h GLN 408 Ca -0.45 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.15 1sh0 h GLN 408 Cb 1.35 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1sh0 h GLN 408 CO 0.72 0.50 -0.17 0.66 -0.67 0.00 0.00 178.83 179.88 1sh0 h SER 409 N 0.79 0.32 -0.36 1.46 4.64 -1.99 0.11 113.55 118.52 1sh0 h SER 409 Ca 0.52 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.61 1sh0 h SER 409 Cb 0.77 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1sh0 h SER 409 CO -0.29 0.51 -0.36 0.28 -0.87 0.00 0.00 176.83 176.10 1sh0 h SER 410 N 0.31 0.93 -0.17 4.97 0.02 -1.62 -1.46 113.55 116.53 1sh0 h SER 410 Ca 0.06 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1sh0 h SER 410 Cb 0.48 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1sh0 h SER 410 CO 0.03 1.21 0.04 0.40 -1.14 0.00 0.00 176.83 177.37 1sh0 h ILE 411 N 0.67 1.20 -0.52 3.27 2.04 -0.98 -3.16 117.51 120.03 1sh0 h ILE 411 Ca 0.06 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1sh0 h ILE 411 Cb 0.95 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1sh0 h ILE 411 CO 0.09 0.19 0.33 -0.07 0.00 0.00 0.00 178.15 178.69 1sh0 h LEU 412 N 0.08 0.62 -0.64 1.44 3.38 -0.80 -2.78 115.31 116.61 1sh0 h LEU 412 Ca 0.05 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1sh0 h LEU 412 Cb 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 1sh0 h LEU 412 CO 0.00 0.48 0.06 0.03 0.09 0.00 0.00 178.44 179.11 1sh0 h ARG 413 N 0.71 0.17 0.00 1.13 3.08 -1.28 -0.60 114.38 117.59 1sh0 h ARG 413 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1sh0 h ARG 413 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1sh0 h ARG 413 CO -0.04 0.11 0.00 1.04 -1.07 0.00 0.00 179.97 180.02 1sh0 n GLN 414 N -5.23 0.07 0.05 0.04 6.02 -1.06 -2.07 117.38 115.21 1sh0 n GLN 414 Ca 0.10 0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 57.09 1sh0 n GLN 414 Cb 0.37 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 1sh0 n GLN 414 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1sh0 h MET 415 N 0.00 0.54 0.00 -1.09 2.86 -0.97 -3.37 114.93 112.90 1sh0 h MET 415 Ca 0.00 -0.57 -0.04 0.00 -2.06 0.00 0.00 59.70 57.03 1sh0 h MET 415 Cb 0.28 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1sh0 h MET 415 CO 0.00 1.20 -1.79 0.66 1.06 0.00 0.00 176.91 178.04 1sh0 n TYR 416 N -3.80 0.27 -5.09 -0.22 4.01 -0.97 -4.72 117.16 106.63 1sh0 n TYR 416 Ca -0.08 0.08 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1sh0 n TYR 416 Cb 0.85 -0.68 -0.15 0.00 -0.31 0.00 0.00 39.34 39.05 1sh0 n TYR 416 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1sh0 s TRP 417 N -3.36 2.34 0.05 -0.72 0.52 -0.88 -0.85 118.94 116.04 1sh0 s TRP 417 Ca -0.06 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 1sh0 s TRP 417 Cb 0.12 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.96 1sh0 s TRP 417 CO 0.87 0.05 -0.02 -0.08 0.02 0.00 0.00 176.95 177.79 1sh0 s THR 418 N -0.71 0.20 0.37 2.01 -1.32 -0.19 -4.52 115.64 111.48 1sh0 s THR 418 Ca 0.11 -1.65 -0.10 0.00 -1.21 0.00 0.00 61.69 58.83 1sh0 s THR 418 Cb -0.10 -1.33 -0.07 0.00 -1.51 0.00 0.00 72.50 69.49 1sh0 s THR 418 CO 0.01 -0.91 0.73 -0.13 -2.21 0.00 0.00 174.62 172.11 1sh0 s ARG 419 N -3.56 3.79 0.00 7.08 0.52 -1.26 -1.00 118.95 124.52 1sh0 s ARG 419 Ca 0.04 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1sh0 s ARG 419 Cb 0.05 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1sh0 s ARG 419 CO -0.09 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1sh0 n GLY 420 N -1.08 2.32 3.81 -3.53 0.00 0.33 -4.87 105.19 102.17 1sh0 n GLY 420 Ca 0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1sh0 n GLY 420 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh0 s PRO 421 N 1.06 1.78 0.14 1.61 0.04 -1.26 -4.72 135.00 133.65 1sh0 s PRO 421 Ca 0.00 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1sh0 s PRO 421 Cb 0.00 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1sh0 s PRO 421 CO 0.00 -1.79 1.28 -0.80 0.04 0.00 0.00 177.00 175.74 1sh0 s ASN 422 N -4.05 6.96 0.35 6.66 0.01 -1.26 -4.53 114.94 119.07 1sh0 s ASN 422 Ca 0.62 2.26 -0.10 0.00 -0.71 0.00 0.00 52.86 54.93 1sh0 s ASN 422 Cb -0.14 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 38.95 1sh0 s ASN 422 CO 0.53 -0.52 0.62 -1.38 -1.51 0.00 0.00 177.10 174.85 1sh0 s HIS 423 N 0.56 0.55 -0.50 2.20 -3.43 -0.51 -4.93 115.29 109.23 1sh0 s HIS 423 Ca 0.58 -1.00 0.04 0.00 -0.80 0.00 0.00 55.06 53.89 1sh0 s HIS 423 Cb -0.34 0.37 0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1sh0 s HIS 423 CO 0.34 -1.32 0.63 0.39 -2.00 0.00 0.00 174.74 172.78 1sh0 n GLU 424 N -0.53 -0.41 -3.86 -0.38 1.02 -1.26 -0.78 120.64 114.43 1sh0 n GLU 424 Ca -0.04 -0.75 -0.30 0.00 -0.02 0.00 0.00 57.16 56.06 1sh0 n GLU 424 Cb 0.61 -1.08 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 1sh0 n GLU 424 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh0 s ASP 425 N -0.34 4.09 0.05 1.62 -1.08 -1.26 -4.57 116.67 115.18 1sh0 s ASP 425 Ca 0.05 -2.77 0.08 0.00 -0.52 0.00 0.00 52.55 49.39 1sh0 s ASP 425 Cb 0.03 -1.39 0.38 0.00 -1.46 0.00 0.00 42.92 40.48 1sh0 s ASP 425 CO 0.05 -0.26 1.26 -2.65 0.52 0.00 0.00 175.17 174.09 1sh0 n PRO 426 N 3.40 0.03 0.00 4.34 -0.02 -1.26 -1.63 135.00 139.86 1sh0 n PRO 426 Ca 0.06 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1sh0 n PRO 426 Cb 0.34 -1.57 0.58 0.00 -0.02 0.00 0.00 33.50 32.83 1sh0 n PRO 426 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sh0 n SER 427 N -1.62 0.11 -4.80 2.55 3.41 -1.26 -4.00 113.62 108.01 1sh0 n SER 427 Ca 0.01 0.22 -0.35 0.00 -0.26 0.00 0.00 58.87 58.49 1sh0 n SER 427 Cb 0.07 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1sh0 n SER 427 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1sh0 s GLU 428 N -2.90 4.38 -0.06 4.33 2.56 -0.65 -4.83 118.70 121.54 1sh0 s GLU 428 Ca 0.17 1.14 -0.09 0.00 0.00 0.00 0.00 54.97 56.19 1sh0 s GLU 428 Cb 0.19 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.67 1sh0 s GLU 428 CO 0.54 0.20 0.23 0.95 -0.56 0.00 0.00 175.26 176.62 1sh0 s THR 429 N -1.79 5.35 0.53 -1.70 -4.23 -1.26 -1.90 115.64 110.63 1sh0 s THR 429 Ca 0.53 0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 61.19 1sh0 s THR 429 Cb -0.15 -3.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 1sh0 s THR 429 CO 0.20 0.55 1.07 -0.32 -0.54 0.00 0.00 174.62 175.58 1sh0 s MET 430 N -1.23 3.53 0.73 3.99 1.75 -0.28 -4.92 119.30 122.87 1sh0 s MET 430 Ca 0.20 1.42 -0.11 0.00 -1.25 0.00 0.00 55.69 55.95 1sh0 s MET 430 Cb -0.13 -2.05 0.03 0.00 2.84 0.00 0.00 34.83 35.52 1sh0 s MET 430 CO 0.09 -0.67 1.10 0.96 -0.65 0.00 0.00 175.02 175.85 1sh0 s ILE 431 N -2.00 3.40 0.17 10.11 -4.36 -1.26 -4.86 121.20 122.39 1sh0 s ILE 431 Ca 0.68 0.45 -0.33 0.00 -0.26 0.00 0.00 60.65 61.20 1sh0 s ILE 431 Cb -0.19 -3.38 -0.13 0.00 1.25 0.00 0.00 42.46 40.01 1sh0 s ILE 431 CO 0.26 -0.59 1.67 -2.65 0.24 0.00 0.00 174.94 173.87 1sh0 n PRO 432 N -3.12 2.47 -4.00 0.37 -0.02 -1.26 -5.01 135.00 124.44 1sh0 n PRO 432 Ca 0.07 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.31 1sh0 n PRO 432 Cb 0.57 -2.71 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 1sh0 n PRO 432 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1sh0 s HIS 433 N 1.29 0.23 0.49 6.00 2.46 -1.26 -5.06 115.29 119.43 1sh0 s HIS 433 Ca 0.78 -0.09 0.14 0.00 0.47 0.00 0.00 55.06 56.36 1sh0 s HIS 433 Cb -0.59 -0.15 1.15 0.00 -0.13 0.00 0.00 32.58 32.87 1sh0 s HIS 433 CO 0.36 -0.02 2.11 0.66 -2.47 0.00 0.00 174.74 175.38 1sh0 h SER 434 N 5.93 0.15 0.66 9.88 4.64 -2.04 -1.48 113.55 131.29 1sh0 h SER 434 Ca -0.27 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1sh0 h SER 434 Cb 1.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1sh0 h SER 434 CO 0.50 0.10 -0.30 -0.61 -0.87 0.00 0.00 176.83 175.65 1sh0 h GLN 435 N 0.17 0.00 -0.10 4.77 5.75 -2.01 -3.33 115.11 120.36 1sh0 h GLN 435 Ca 0.07 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1sh0 h GLN 435 Cb 0.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1sh0 h GLN 435 CO -0.01 0.30 0.04 -0.09 -2.65 0.00 0.00 178.83 176.42 1sh0 h ARG 436 N 0.00 0.15 -0.12 1.69 9.65 -1.70 -1.08 114.38 122.98 1sh0 h ARG 436 Ca -0.00 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1sh0 h ARG 436 Cb 0.72 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1sh0 h ARG 436 CO 0.04 0.24 0.09 -1.35 2.80 0.00 0.00 179.97 181.79 1sh0 h PRO 437 N 0.02 0.00 -0.11 0.20 0.11 -1.71 0.72 132.00 131.24 1sh0 h PRO 437 Ca 0.03 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 1sh0 h PRO 437 Cb 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1sh0 h PRO 437 CO -0.00 0.00 -0.14 0.82 -0.21 0.00 0.00 178.00 178.47 1sh0 h ILE 438 N 0.00 1.37 -0.64 4.15 2.04 -1.58 -2.03 117.51 120.83 1sh0 h ILE 438 Ca 0.06 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1sh0 h ILE 438 Cb 0.24 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1sh0 h ILE 438 CO -0.00 0.39 0.37 -0.61 0.00 0.00 0.00 178.15 178.29 1sh0 h GLN 439 N -0.13 0.88 -0.77 2.37 4.15 -0.76 -2.37 115.11 118.48 1sh0 h GLN 439 Ca 0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1sh0 h GLN 439 Cb 0.69 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1sh0 h GLN 439 CO 0.03 0.65 0.40 -0.07 -1.93 0.00 0.00 178.83 177.91 1sh0 h LEU 440 N 0.87 0.98 -0.24 -2.39 4.07 -0.86 0.00 115.31 117.74 1sh0 h LEU 440 Ca 0.23 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.09 1sh0 h LEU 440 Cb 0.01 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1sh0 h LEU 440 CO -0.04 0.82 0.12 -0.03 -1.08 0.00 0.00 178.44 178.23 1sh0 h MET 441 N 1.07 0.24 -0.07 1.13 4.05 -1.16 0.48 114.93 120.69 1sh0 h MET 441 Ca 0.27 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.61 1sh0 h MET 441 Cb 0.07 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1sh0 h MET 441 CO -0.04 0.16 -0.27 0.66 0.23 0.00 0.00 176.91 177.65 1sh0 h SER 442 N 0.25 0.11 -0.32 1.39 4.64 -1.04 0.39 113.55 118.98 1sh0 h SER 442 Ca 0.10 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1sh0 h SER 442 Cb 0.03 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1sh0 h SER 442 CO -0.07 0.39 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.02 1sh0 h LEU 443 N 0.11 0.80 -0.83 5.97 3.38 -0.54 -1.42 115.31 122.77 1sh0 h LEU 443 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sh0 h LEU 443 Cb 0.54 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1sh0 h LEU 443 CO 0.04 0.98 0.47 -0.07 0.09 0.00 0.00 178.44 179.95 1sh0 h LEU 444 N 0.70 1.01 -0.57 1.67 3.38 -0.05 0.05 115.31 121.51 1sh0 h LEU 444 Ca 0.10 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1sh0 h LEU 444 Cb 0.70 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1sh0 h LEU 444 CO 0.05 0.80 0.25 1.23 0.09 0.00 0.00 178.44 180.86 1sh0 h GLY 445 N 1.14 0.79 1.06 0.83 0.00 -0.55 0.42 103.07 106.76 1sh0 h GLY 445 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1sh0 h GLY 445 CO -0.05 0.05 0.03 0.83 0.00 0.00 0.00 176.54 177.40 1sh0 h GLU 446 N 0.46 1.03 -0.14 4.80 4.39 -0.84 -3.07 114.58 121.22 1sh0 h GLU 446 Ca 0.27 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1sh0 h GLU 446 Cb 0.26 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1sh0 h GLU 446 CO -0.23 1.00 -0.23 0.00 -1.16 0.00 0.00 179.01 178.39 1sh0 h ALA 447 N 0.99 1.37 -0.05 3.43 0.00 -0.43 -2.66 119.26 121.91 1sh0 h ALA 447 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sh0 h ALA 447 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sh0 h ALA 447 CO 0.02 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1sh0 h ALA 448 N 1.55 1.80 0.00 0.00 0.00 -0.83 -2.04 119.26 119.75 1sh0 h ALA 448 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sh0 h ALA 448 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sh0 h ALA 448 CO 0.04 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1sh0 n LEU 449 N -4.14 0.45 0.00 0.00 4.77 -1.00 -4.71 117.00 112.37 1sh0 n LEU 449 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1sh0 n LEU 449 Cb 0.14 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1sh0 n LEU 449 CO 0.30 -0.27 0.00 1.41 -1.33 0.00 0.00 177.39 177.50 1sh0 n HIS 450 N -1.96 -1.83 -0.78 -1.77 8.25 -0.77 -4.96 115.22 111.40 1sh0 n HIS 450 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 1sh0 n HIS 450 Cb 0.30 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.55 1sh0 n HIS 450 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sh0 n GLY 451 N 5.00 -1.17 0.29 -1.41 0.00 -1.26 -4.83 105.19 101.80 1sh0 n GLY 451 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.45 1sh0 n GLY 451 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sh0 h PRO 452 N -1.62 0.00 0.07 1.61 0.11 -1.91 -1.86 132.00 128.40 1sh0 h PRO 452 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sh0 h PRO 452 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sh0 h PRO 452 CO 0.38 0.01 -0.03 0.00 -0.21 0.00 0.00 178.00 178.15 1sh0 h ALA 453 N 1.99 -0.09 -0.39 -0.75 0.00 -1.97 -1.52 119.26 116.53 1sh0 h ALA 453 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1sh0 h ALA 453 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sh0 h ALA 453 CO 0.00 -0.41 -0.05 0.35 0.00 0.00 0.00 179.25 179.14 1sh0 h PHE 454 N -0.37 0.68 -0.89 0.00 3.57 -1.86 -2.23 116.94 115.85 1sh0 h PHE 454 Ca -0.01 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1sh0 h PHE 454 Cb 0.32 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1sh0 h PHE 454 CO 0.02 0.68 0.50 -0.92 -2.23 0.00 0.00 178.31 176.36 1sh0 h TYR 455 N 0.60 1.20 -0.37 0.41 3.20 -1.26 -1.69 116.97 119.05 1sh0 h TYR 455 Ca 0.12 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1sh0 h TYR 455 Cb 0.45 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1sh0 h TYR 455 CO 0.02 0.82 -0.27 1.03 -1.64 0.00 0.00 178.16 178.12 1sh0 h SER 456 N 1.23 0.78 0.06 -2.11 0.87 -0.97 0.03 113.55 113.44 1sh0 h SER 456 Ca 0.31 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sh0 h SER 456 Cb -0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1sh0 h SER 456 CO -0.05 1.01 -0.03 0.50 -0.53 0.00 0.00 176.83 177.73 1sh0 h LYS 457 N 0.65 -0.07 -0.59 2.24 3.64 -1.02 -1.70 116.57 119.71 1sh0 h LYS 457 Ca 0.08 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1sh0 h LYS 457 Cb 0.79 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1sh0 h LYS 457 CO 0.07 0.04 0.22 0.82 -2.27 0.00 0.00 179.45 178.33 1sh0 h ILE 458 N -0.17 1.23 -0.42 2.00 1.08 -1.28 -2.96 117.51 116.99 1sh0 h ILE 458 Ca -0.01 -0.74 0.08 0.00 -0.39 0.00 0.00 64.86 63.80 1sh0 h ILE 458 Cb 0.15 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1sh0 h ILE 458 CO 0.01 0.29 0.00 0.28 -0.69 0.00 0.00 178.15 178.04 1sh0 h SER 459 N 0.83 -0.17 -0.95 1.72 0.02 -0.86 -1.05 113.55 113.09 1sh0 h SER 459 Ca 0.20 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1sh0 h SER 459 Cb 0.22 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1sh0 h SER 459 CO -0.01 -0.05 0.63 0.11 -1.14 0.00 0.00 176.83 176.37 1sh0 h LYS 460 N 0.11 1.26 -0.19 3.45 1.57 -1.23 -1.37 116.57 120.17 1sh0 h LYS 460 Ca 0.21 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1sh0 h LYS 460 Cb 0.29 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1sh0 h LYS 460 CO -0.34 0.83 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.24 1sh0 h LEU 461 N 1.29 0.39 0.03 2.94 3.38 -1.30 -1.68 115.31 120.36 1sh0 h LEU 461 Ca 0.35 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sh0 h LEU 461 Cb -0.15 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1sh0 h LEU 461 CO -0.08 0.68 -0.32 0.58 0.09 0.00 0.00 178.44 179.40 1sh0 h VAL 462 N 0.09 0.31 -0.66 1.22 2.07 -1.00 0.97 116.25 119.25 1sh0 h VAL 462 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1sh0 h VAL 462 Cb 0.52 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1sh0 h VAL 462 CO 0.02 0.00 0.41 -0.29 0.02 0.00 0.00 177.57 177.73 1sh0 h ILE 463 N -0.49 1.19 -0.81 4.57 2.10 -1.25 -1.51 117.51 121.31 1sh0 h ILE 463 Ca 0.05 -0.40 -0.05 0.00 1.08 0.00 0.00 64.86 65.55 1sh0 h ILE 463 Cb 0.56 0.26 -0.04 0.00 -1.09 0.00 0.00 36.82 36.52 1sh0 h ILE 463 CO -0.24 0.19 0.33 0.00 -1.08 0.00 0.00 178.15 177.34 1sh0 h ALA 464 N 1.21 1.05 0.26 0.18 0.00 -1.09 -0.01 119.26 120.87 1sh0 h ALA 464 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sh0 h ALA 464 Cb -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1sh0 h ALA 464 CO -0.05 0.67 -0.12 1.49 0.00 0.00 0.00 179.25 181.24 1sh0 h GLU 465 N 1.17 -0.33 -0.07 0.00 4.81 -0.37 -2.60 114.58 117.19 1sh0 h GLU 465 Ca 0.27 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1sh0 h GLU 465 Cb 0.21 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1sh0 h GLU 465 CO -0.02 -0.13 -0.50 -0.07 -0.73 0.00 0.00 179.01 177.55 1sh0 h LEU 466 N -0.47 0.21 -0.90 1.64 3.38 -1.23 -2.51 115.31 115.42 1sh0 h LEU 466 Ca -0.04 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1sh0 h LEU 466 Cb 0.36 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1sh0 h LEU 466 CO 0.06 0.68 0.59 0.50 0.09 0.00 0.00 178.44 180.36 1sh0 h LYS 467 N 0.15 1.13 -0.41 1.13 3.64 -0.59 0.27 116.57 121.90 1sh0 h LYS 467 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1sh0 h LYS 467 Cb 0.95 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1sh0 h LYS 467 CO 0.08 0.75 0.02 1.49 -2.27 0.00 0.00 179.45 179.52 1sh0 h GLU 468 N 1.17 0.64 -0.10 1.90 4.81 -1.05 -2.82 114.58 119.12 1sh0 h GLU 468 Ca 0.35 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1sh0 h GLU 468 Cb -0.05 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1sh0 h GLU 468 CO -0.10 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 1sh0 n GLY 469 N -0.82 -0.15 1.16 1.92 0.00 -0.90 -4.91 105.19 101.49 1sh0 n GLY 469 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1sh0 n GLY 469 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh0 n GLY 470 N 1.03 0.67 3.17 -0.02 0.00 -0.87 -4.83 105.19 104.34 1sh0 n GLY 470 Ca 0.16 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1sh0 n GLY 470 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sh0 s MET 471 N -1.30 2.14 -0.67 1.61 0.00 0.89 -5.00 119.30 116.96 1sh0 s MET 471 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 55.69 55.04 1sh0 s MET 471 Cb 0.00 -1.79 0.25 0.00 0.00 0.00 0.00 34.83 33.28 1sh0 s MET 471 CO 0.00 0.26 0.77 -0.40 0.00 0.00 0.00 175.02 175.65 1sh0 n ASP 472 N 3.19 3.87 -4.80 1.11 5.68 -1.26 -2.34 116.55 122.01 1sh0 n ASP 472 Ca -0.18 -3.43 -0.36 0.00 -0.50 0.00 0.00 54.79 50.32 1sh0 n ASP 472 Cb 0.53 -0.71 -0.06 0.00 -1.14 0.00 0.00 41.12 39.73 1sh0 n ASP 472 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1sh0 s PHE 473 N -2.43 3.61 -0.04 2.11 5.36 -1.26 -5.02 117.98 120.31 1sh0 s PHE 473 Ca 0.38 1.63 -0.30 0.00 -0.96 0.00 0.00 56.93 57.68 1sh0 s PHE 473 Cb 0.13 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 1sh0 s PHE 473 CO -0.02 0.19 1.34 -0.47 -1.46 0.00 0.00 175.22 174.80 1sh0 s TYR 474 N -1.69 2.90 -0.29 10.12 5.04 -1.26 -4.96 117.35 127.20 1sh0 s TYR 474 Ca 0.50 0.93 -0.24 0.00 -2.44 0.00 0.00 57.07 55.82 1sh0 s TYR 474 Cb -0.16 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.57 1sh0 s TYR 474 CO 0.21 -2.08 0.81 0.08 -1.34 0.00 0.00 175.55 173.23 1sh0 s VAL 475 N 2.59 4.79 0.37 3.14 1.01 -1.26 -5.04 120.40 126.00 1sh0 s VAL 475 Ca 0.61 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.59 1sh0 s VAL 475 Cb -0.28 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 1sh0 s VAL 475 CO 0.24 -0.22 1.48 -2.84 0.00 0.00 0.00 175.10 173.76 1sh0 s PRO 476 N 2.97 4.12 0.77 2.72 0.02 -1.26 -4.97 135.00 139.37 1sh0 s PRO 476 Ca 0.33 2.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.76 1sh0 s PRO 476 Cb -0.14 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.44 1sh0 s PRO 476 CO 0.12 -0.52 1.01 0.54 -0.33 0.00 0.00 177.00 177.81 1sh0 n ARG 477 N 0.57 0.32 -0.30 5.54 1.74 -1.26 -4.84 116.66 118.42 1sh0 n ARG 477 Ca 0.01 0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 57.24 1sh0 n ARG 477 Cb 0.39 -2.27 0.09 0.00 -1.02 0.00 0.00 32.46 29.65 1sh0 n ARG 477 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1sh0 h GLN 478 N -0.61 1.04 0.60 5.56 -0.00 -1.98 -2.74 115.11 116.99 1sh0 h GLN 478 Ca -0.47 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.10 1sh0 h GLN 478 Cb 1.32 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1sh0 h GLN 478 CO 0.45 0.69 -0.34 0.93 -0.00 0.00 0.00 178.83 180.56 1sh0 h GLU 479 N 1.07 -0.85 -0.61 0.06 5.08 -1.96 0.67 114.58 118.04 1sh0 h GLU 479 Ca 0.32 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.84 1sh0 h GLU 479 Cb -0.05 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1sh0 h GLU 479 CO -0.09 -0.56 0.19 -1.35 -1.00 0.00 0.00 179.01 176.19 1sh0 h PRO 480 N -0.88 0.33 -0.24 2.33 0.11 -1.90 0.11 132.00 131.86 1sh0 h PRO 480 Ca -0.08 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1sh0 h PRO 480 Cb 0.70 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1sh0 h PRO 480 CO 0.10 0.22 0.10 1.98 -0.21 0.00 0.00 178.00 180.19 1sh0 h MET 481 N 0.34 0.22 -0.41 1.05 4.05 -1.12 0.07 114.93 119.13 1sh0 h MET 481 Ca 0.31 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1sh0 h MET 481 Cb 0.43 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1sh0 h MET 481 CO -0.35 0.15 0.10 0.35 0.23 0.00 0.00 176.91 177.39 1sh0 h PHE 482 N 0.23 0.17 -0.57 1.39 3.57 0.80 0.15 116.94 122.68 1sh0 h PHE 482 Ca 0.10 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1sh0 h PHE 482 Cb 0.05 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1sh0 h PHE 482 CO -0.11 0.04 -0.01 0.00 -2.23 0.00 0.00 178.31 176.01 1sh0 h ARG 483 N 0.24 1.00 -0.17 1.11 3.08 -0.65 -0.59 114.38 118.40 1sh0 h ARG 483 Ca 0.20 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1sh0 h ARG 483 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1sh0 h ARG 483 CO -0.24 0.98 0.03 2.35 -1.07 0.00 0.00 179.97 182.03 1sh0 h TRP 484 N 0.92 0.29 -0.74 3.04 2.91 -0.68 0.11 115.95 121.79 1sh0 h TRP 484 Ca 0.17 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1sh0 h TRP 484 Cb 0.54 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.07 1sh0 h TRP 484 CO 0.04 0.43 0.49 0.52 -1.03 0.00 0.00 178.44 178.88 1sh0 h MET 485 N 0.07 0.96 0.00 2.65 2.86 -0.46 -2.32 114.93 118.68 1sh0 h MET 485 Ca 0.05 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1sh0 h MET 485 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1sh0 h MET 485 CO 0.00 0.63 -0.98 0.00 1.06 0.00 0.00 176.91 177.62 1sh0 h ARG 486 N 0.99 0.00 -0.02 1.72 2.47 -1.13 -3.42 114.38 114.99 1sh0 h ARG 486 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1sh0 h ARG 486 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1sh0 h ARG 486 CO -0.07 0.77 -0.11 1.19 0.56 0.00 0.00 179.97 182.32 1sh0 n PHE 487 N -4.49 0.00 -3.40 3.04 3.72 0.34 -4.95 117.46 111.72 1sh0 n PHE 487 Ca -0.25 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.91 1sh0 n PHE 487 Cb 0.56 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1sh0 n PHE 487 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sh0 n SER 488 N 0.89 -5.38 -4.87 4.37 7.64 -0.87 -4.98 113.62 110.41 1sh0 n SER 488 Ca 0.11 -0.47 -0.36 0.00 1.01 0.00 0.00 58.87 59.17 1sh0 n SER 488 Cb 0.51 -4.33 -0.06 0.00 -1.01 0.00 0.00 64.21 59.32 1sh0 n SER 488 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh0 s ASP 489 N -2.95 6.54 0.00 6.43 2.15 -1.08 -4.94 116.67 122.82 1sh0 s ASP 489 Ca 0.46 0.64 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1sh0 s ASP 489 Cb -0.22 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1sh0 s ASP 489 CO 0.57 0.31 0.57 0.18 -0.17 0.00 0.00 175.17 176.64 1sh0 n LEU 490 N 1.53 0.58 0.02 -1.34 4.77 -1.26 -3.09 117.00 118.22 1sh0 n LEU 490 Ca -0.14 -0.58 0.20 0.00 -0.03 0.00 0.00 56.01 55.45 1sh0 n LEU 490 Cb 0.53 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.33 1sh0 n LEU 490 CO 0.37 0.15 1.18 0.77 -1.33 0.00 0.00 177.39 178.53 1sh0 h SER 491 N 0.00 0.00 -0.01 -1.43 4.64 -1.98 -2.27 113.55 112.51 1sh0 h SER 491 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sh0 h SER 491 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1sh0 h SER 491 CO 0.00 0.00 -0.45 0.35 -0.87 0.00 0.00 176.83 175.86 1sh0 n THR 492 N -4.30 0.00 -1.64 2.95 -2.24 -1.26 -5.02 114.28 102.77 1sh0 n THR 492 Ca 0.09 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1sh0 n THR 492 Cb 0.60 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1sh0 n THR 492 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1sh0 n TRP 493 N -0.67 1.63 -3.77 4.78 -0.00 -0.86 -4.90 117.44 113.65 1sh0 n TRP 493 Ca 0.04 0.57 -0.36 0.00 -0.00 0.00 0.00 57.50 57.75 1sh0 n TRP 493 Cb 0.26 -2.30 -0.11 0.00 -0.00 0.00 0.00 31.31 29.16 1sh0 n TRP 493 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1sh0 s GLU 494 N -1.95 3.81 2.08 5.87 2.02 -1.26 -5.00 118.70 124.26 1sh0 s GLU 494 Ca 0.60 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1sh0 s GLU 494 Cb -0.57 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.27 1sh0 s GLU 494 CO 0.59 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1sh0 n GLY 495 N 4.63 -1.22 3.39 -1.39 0.00 -1.26 -4.84 105.19 104.50 1sh0 n GLY 495 Ca -0.16 -1.25 -0.53 0.00 0.00 0.00 0.00 46.02 44.08 1sh0 n GLY 495 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh0 n ASP 496 N -0.34 1.73 0.24 1.61 2.03 -1.26 -4.84 116.55 115.72 1sh0 n ASP 496 Ca 0.00 0.47 0.12 0.00 0.52 0.00 0.00 54.79 55.90 1sh0 n ASP 496 Cb 0.00 -1.16 0.58 0.00 -0.72 0.00 0.00 41.12 39.82 1sh0 n ASP 496 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1sh0 h ARG 497 N 11.53 0.00 0.00 -0.67 3.08 -1.95 -2.58 114.38 123.79 1sh0 h ARG 497 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1sh0 h ARG 497 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1sh0 h ARG 497 CO 1.05 0.17 0.02 -0.91 -1.07 0.00 0.00 179.97 179.23 1sh0 h ASN 498 N 0.00 0.00 0.61 7.04 2.35 -2.01 -2.62 115.58 120.95 1sh0 h ASN 498 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sh0 h ASN 498 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1sh0 h ASN 498 CO 0.02 0.00 -0.09 0.18 -1.65 0.00 0.00 177.43 175.89 1sh0 n LEU 499 N -2.83 0.20 -4.76 1.61 4.77 -0.97 -4.86 117.00 110.16 1sh0 n LEU 499 Ca -0.02 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1sh0 n LEU 499 Cb 0.08 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1sh0 n LEU 499 CO 0.17 0.04 0.96 0.00 -1.33 0.00 0.00 177.39 177.23 1sh0 s ALA 500 N -2.70 3.50 0.33 -1.18 0.00 -0.99 -4.96 121.76 115.75 1sh0 s ALA 500 Ca 0.23 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 1sh0 s ALA 500 Cb 0.20 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1sh0 s ALA 500 CO 0.51 -0.56 1.14 -1.25 0.00 0.00 0.00 175.76 175.60 1sh0 s PRO 501 N -1.43 4.42 0.20 0.00 0.04 -1.26 -5.06 135.00 131.91 1sh0 s PRO 501 Ca 0.50 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.47 1sh0 s PRO 501 Cb -0.38 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1sh0 s PRO 501 CO 0.49 -0.00 -0.06 -1.54 0.04 0.00 0.00 177.00 175.93 1sh0 s SER 502 N -0.94 4.41 -0.05 6.66 1.04 -1.26 -5.01 113.70 118.54 1sh0 s SER 502 Ca 0.49 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1sh0 s SER 502 Cb -0.32 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1sh0 s SER 502 CO 0.41 0.07 -0.16 -0.36 0.98 0.00 0.00 173.24 174.18 1sh0 s PHE 503 N -1.89 1.71 0.61 5.02 0.40 -1.26 -5.02 117.98 117.54 1sh0 s PHE 503 Ca 0.27 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1sh0 s PHE 503 Cb -0.08 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 1sh0 s PHE 503 CO 0.17 -0.21 0.95 0.14 0.70 0.00 0.00 175.22 176.97 1sh0 s VAL 504 N 0.20 4.04 1.11 -0.44 -7.23 -1.26 -5.03 120.40 111.79 1sh0 s VAL 504 Ca -0.07 0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 60.24 1sh0 s VAL 504 Cb -0.13 -3.61 0.28 0.00 0.56 0.00 0.00 36.38 33.48 1sh0 s VAL 504 CO 0.03 -0.71 0.90 0.59 -0.31 0.00 0.00 175.10 175.60 1sh0 n ASN 505 N -2.66 -2.41 -4.19 4.85 4.13 -1.26 -4.38 115.26 109.34 1sh0 n ASN 505 Ca 0.05 -1.00 -0.36 0.00 1.68 0.00 0.00 54.58 54.95 1sh0 n ASN 505 Cb 0.56 -0.86 -0.05 0.00 -1.54 0.00 0.00 39.78 37.89 1sh0 n ASN 505 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1sh0 n GLU 506 N -4.60 -0.68 0.00 3.52 0.00 0.19 -4.94 120.64 114.13 1sh0 n GLU 506 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1sh0 n GLU 506 Cb 0.51 -3.02 0.00 0.00 0.00 0.00 0.00 31.44 28.92 1sh0 n GLU 506 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88