#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh3 n GLY 6 N 0.00 2.05 3.32 3.14 0.00 -1.26 -4.76 105.19 107.68 1sh3 n GLY 6 Ca 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 1sh3 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sh3 s THR 7 N -2.66 1.53 -0.22 2.61 -4.23 -1.26 -2.84 115.64 108.56 1sh3 s THR 7 Ca 0.00 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 1sh3 s THR 7 Cb 0.00 -2.03 0.08 0.00 1.34 0.00 0.00 72.50 71.88 1sh3 s THR 7 CO 0.00 -0.60 0.09 -0.47 -0.54 0.00 0.00 174.62 173.10 1sh3 s TYR 8 N -3.10 0.53 -1.23 3.99 5.04 -0.09 -4.81 117.35 117.68 1sh3 s TYR 8 Ca 0.22 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 1sh3 s TYR 8 Cb 0.01 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.41 1sh3 s TYR 8 CO 0.05 -0.66 0.00 0.00 -1.34 0.00 0.00 175.55 173.61 1sh3 n GLY 10 N -0.62 1.25 2.94 0.00 0.00 -1.26 -4.38 105.19 103.12 1sh3 n GLY 10 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1sh3 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh3 s ALA 11 N -2.00 0.67 0.09 4.61 0.00 -0.92 -4.86 121.76 119.35 1sh3 s ALA 11 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.47 1sh3 s ALA 11 Cb 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.68 1sh3 s ALA 11 CO 0.00 0.06 1.75 -2.30 0.00 0.00 0.00 175.76 175.27 1sh3 n PRO 12 N 3.57 2.41 -2.63 0.00 -0.02 -1.26 -0.91 135.00 136.16 1sh3 n PRO 12 Ca -0.21 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1sh3 n PRO 12 Cb 0.53 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1sh3 n PRO 12 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sh3 s ILE 13 N 2.27 4.66 -0.06 4.25 1.01 -1.13 -1.22 121.20 130.97 1sh3 s ILE 13 Ca 0.83 1.93 0.06 0.00 0.00 0.00 0.00 60.65 63.46 1sh3 s ILE 13 Cb -0.60 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 37.38 1sh3 s ILE 13 CO 0.40 0.03 0.59 -0.07 0.00 0.00 0.00 174.94 175.90 1sh3 h LEU 14 N 7.79 0.15 0.00 2.97 3.38 -0.14 -3.46 115.31 126.00 1sh3 h LEU 14 Ca -0.34 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1sh3 h LEU 14 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1sh3 h LEU 14 CO 0.84 1.30 0.00 0.61 0.09 0.00 0.00 178.44 181.28 1sh3 n GLY 15 N 1.70 -0.72 3.69 0.83 0.00 -1.17 -5.00 105.19 104.52 1sh3 n GLY 15 Ca -0.21 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1sh3 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh3 s PRO 16 N -1.08 1.35 0.01 1.61 0.04 -1.26 -1.13 135.00 134.53 1sh3 s PRO 16 Ca 0.00 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 1sh3 s PRO 16 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1sh3 s PRO 16 CO 0.00 -2.39 0.84 0.20 0.04 0.00 0.00 177.00 175.70 1sh3 s GLY 17 N -2.66 2.81 0.00 0.56 0.00 -0.67 -3.68 107.32 103.68 1sh3 s GLY 17 Ca 0.67 0.37 0.11 0.00 0.00 0.00 0.00 44.72 45.87 1sh3 s GLY 17 CO 0.56 1.37 1.06 1.44 0.00 0.00 0.00 173.10 177.52 1sh3 n SER 18 N 3.45 2.44 -4.83 1.64 7.64 -1.26 -4.90 113.62 117.80 1sh3 n SER 18 Ca 0.01 -1.73 -0.33 0.00 1.01 0.00 0.00 58.87 57.83 1sh3 n SER 18 Cb 0.51 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1sh3 n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sh3 s ALA 19 N -0.97 3.21 0.89 -0.43 0.00 -1.26 -5.04 121.76 118.16 1sh3 s ALA 19 Ca 0.18 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 1sh3 s ALA 19 Cb 0.11 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.41 1sh3 s ALA 19 CO 0.15 0.24 1.13 -2.14 0.00 0.00 0.00 175.76 175.15 1sh3 s PRO 20 N -2.90 1.20 0.51 0.00 0.02 -1.26 -4.76 135.00 127.81 1sh3 s PRO 20 Ca 0.56 1.45 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 1sh3 s PRO 20 Cb -0.11 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1sh3 s PRO 20 CO 0.16 -2.48 0.60 1.63 -0.33 0.00 0.00 177.00 176.59 1sh3 n LYS 21 N -4.12 0.64 -2.62 5.54 5.02 -1.26 -4.86 118.16 116.50 1sh3 n LYS 21 Ca 0.11 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1sh3 n LYS 21 Cb 0.52 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1sh3 n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sh3 s LEU 22 N 0.80 4.53 0.14 -0.35 1.43 -1.26 -4.95 118.68 119.02 1sh3 s LEU 22 Ca 0.67 1.98 -0.35 0.00 -1.03 0.00 0.00 54.13 55.40 1sh3 s LEU 22 Cb -0.50 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 41.97 1sh3 s LEU 22 CO 0.55 -0.09 1.49 -0.24 0.23 0.00 0.00 176.35 178.29 1sh3 n SER 23 N 2.24 2.57 -0.52 2.29 2.88 -1.26 -4.87 113.62 116.94 1sh3 n SER 23 Ca 0.01 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.76 1sh3 n SER 23 Cb 0.47 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1sh3 n SER 23 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1sh3 n THR 24 N 3.08 0.00 -3.66 2.46 -2.24 -1.26 -4.88 114.28 107.78 1sh3 n THR 24 Ca 0.17 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1sh3 n THR 24 Cb 0.25 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1sh3 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sh3 s LYS 25 N -2.41 2.79 0.05 -0.78 1.02 -1.26 -4.68 119.74 114.47 1sh3 s LYS 25 Ca 0.19 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.93 1sh3 s LYS 25 Cb 0.18 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1sh3 s LYS 25 CO 0.54 0.03 -0.06 -0.08 -0.92 0.00 0.00 175.35 174.86 1sh3 s THR 26 N -2.30 0.43 -2.32 2.17 -1.32 -0.58 -4.86 115.64 106.87 1sh3 s THR 26 Ca 0.44 -1.31 0.29 0.00 -1.21 0.00 0.00 61.69 59.89 1sh3 s THR 26 Cb -0.06 -0.87 0.61 0.00 -1.51 0.00 0.00 72.50 70.67 1sh3 s THR 26 CO 0.28 -0.59 1.85 2.29 -2.21 0.00 0.00 174.62 176.24 1sh3 n LYS 27 N 1.00 1.44 -3.55 7.08 2.85 -1.26 -1.75 118.16 123.97 1sh3 n LYS 27 Ca -0.20 -0.70 -0.37 0.00 -1.05 0.00 0.00 58.31 55.99 1sh3 n LYS 27 Cb 0.57 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 1sh3 n LYS 27 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1sh3 s PHE 28 N -2.04 3.63 0.08 5.58 0.08 -1.26 -0.12 117.98 123.93 1sh3 s PHE 28 Ca 0.39 0.83 0.05 0.00 0.12 0.00 0.00 56.93 58.32 1sh3 s PHE 28 Cb 0.21 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1sh3 s PHE 28 CO 0.36 0.52 -0.13 -1.58 -0.10 0.00 0.00 175.22 174.29 1sh3 s TRP 29 N -0.57 1.20 0.44 0.36 0.52 -0.09 -4.67 118.94 116.14 1sh3 s TRP 29 Ca 0.21 -0.51 -0.24 0.00 0.02 0.00 0.00 56.10 55.58 1sh3 s TRP 29 Cb -0.15 -0.66 -0.08 0.00 -1.15 0.00 0.00 33.47 31.43 1sh3 s TRP 29 CO 0.10 0.06 1.21 1.03 0.02 0.00 0.00 176.95 179.36 1sh3 s ARG 30 N -2.09 3.82 -0.11 4.98 1.81 -1.22 -0.17 118.95 125.98 1sh3 s ARG 30 Ca 0.01 1.90 -0.05 0.00 -1.72 0.00 0.00 55.73 55.86 1sh3 s ARG 30 Cb -0.08 -2.53 -0.26 0.00 -0.45 0.00 0.00 34.95 31.63 1sh3 s ARG 30 CO 0.02 -0.53 0.39 -1.13 -0.68 0.00 0.00 175.30 173.37 1sh3 n SER 31 N -0.27 2.02 -1.53 0.23 3.41 -0.07 -0.79 113.62 116.63 1sh3 n SER 31 Ca 0.06 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1sh3 n SER 31 Cb 0.47 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1sh3 n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sh3 n SER 32 N -3.45 1.51 0.00 4.04 3.41 -1.26 -4.24 113.62 113.63 1sh3 n SER 32 Ca -0.31 -0.87 0.13 0.00 -0.26 0.00 0.00 58.87 57.56 1sh3 n SER 32 Cb 1.05 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 65.36 1sh3 n SER 32 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sh3 n THR 33 N 0.00 0.02 -1.66 6.66 -2.24 -1.26 -4.84 114.28 110.96 1sh3 n THR 33 Ca 0.00 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1sh3 n THR 33 Cb 0.00 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1sh3 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh3 n ALA 34 N -1.51 0.86 -1.76 6.98 0.00 -1.26 -4.95 120.51 118.86 1sh3 n ALA 34 Ca 0.06 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 1sh3 n ALA 34 Cb 0.34 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.56 1sh3 n ALA 34 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sh3 s PRO 35 N -0.60 3.68 -0.06 0.00 0.02 -1.26 -4.99 135.00 131.79 1sh3 s PRO 35 Ca 0.67 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 63.51 1sh3 s PRO 35 Cb -0.67 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1sh3 s PRO 35 CO 0.52 -0.70 0.72 -0.48 -0.33 0.00 0.00 177.00 176.72 1sh3 s LEU 36 N -2.91 4.33 0.45 -5.54 2.34 -1.26 -5.03 118.68 111.06 1sh3 s LEU 36 Ca 0.63 1.22 -0.25 0.00 0.06 0.00 0.00 54.13 55.79 1sh3 s LEU 36 Cb -0.36 -3.11 -0.08 0.00 -0.56 0.00 0.00 46.19 42.08 1sh3 s LEU 36 CO 0.44 -0.12 1.37 -2.84 -1.06 0.00 0.00 176.35 174.15 1sh3 s PRO 37 N 0.76 3.71 0.32 1.48 0.02 -1.26 -4.96 135.00 135.07 1sh3 s PRO 37 Ca 0.38 2.30 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1sh3 s PRO 37 Cb -0.18 -2.63 -0.12 0.00 0.02 0.00 0.00 34.50 31.59 1sh3 s PRO 37 CO 0.19 -0.76 1.46 -2.30 -0.33 0.00 0.00 177.00 175.27 1sh3 n PRO 38 N -0.21 2.45 0.00 5.54 -0.02 -1.26 -2.33 135.00 139.17 1sh3 n PRO 38 Ca 0.05 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1sh3 n PRO 38 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1sh3 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh3 n GLY 39 N 1.39 2.27 3.71 -1.23 0.00 -1.26 -5.03 105.19 105.03 1sh3 n GLY 39 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1sh3 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sh3 s THR 40 N -2.38 2.99 0.86 2.61 2.01 -0.98 -4.89 115.64 115.87 1sh3 s THR 40 Ca 0.00 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 62.53 1sh3 s THR 40 Cb 0.00 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 69.15 1sh3 s THR 40 CO 0.00 0.04 0.85 -1.22 -0.69 0.00 0.00 174.62 173.60 1sh3 n TYR 41 N 4.37 0.05 -4.10 4.92 4.02 -1.26 -4.76 117.16 120.39 1sh3 n TYR 41 Ca 0.13 0.34 -0.09 0.00 -0.01 0.00 0.00 57.90 58.28 1sh3 n TYR 41 Cb 0.40 -1.96 -0.10 0.00 -0.02 0.00 0.00 39.34 37.66 1sh3 n TYR 41 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1sh3 s GLU 42 N -3.87 0.65 0.31 -0.72 2.02 -0.76 -4.84 118.70 111.49 1sh3 s GLU 42 Ca 0.66 -1.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 1sh3 s GLU 42 Cb -0.26 -0.02 -0.12 0.00 0.10 0.00 0.00 34.13 33.82 1sh3 s GLU 42 CO 0.58 -0.05 1.40 -2.30 0.02 0.00 0.00 175.26 174.91 1sh3 n PRO 43 N 0.41 2.28 -1.61 0.39 -0.02 -1.26 -0.21 135.00 134.98 1sh3 n PRO 43 Ca -0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1sh3 n PRO 43 Cb 0.59 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1sh3 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh3 n ALA 44 N 1.04 0.16 -0.95 3.55 0.00 0.40 -4.81 120.51 119.89 1sh3 n ALA 44 Ca 0.07 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 1sh3 n ALA 44 Cb 0.35 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1sh3 n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sh3 n TYR 45 N -0.49 -0.03 -0.84 0.00 9.36 -1.26 -4.93 117.16 118.97 1sh3 n TYR 45 Ca 0.09 0.67 0.08 0.00 3.32 0.00 0.00 57.90 62.06 1sh3 n TYR 45 Cb 0.39 -1.33 0.17 0.00 -0.63 0.00 0.00 39.34 37.94 1sh3 n TYR 45 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1sh3 n LEU 46 N 1.19 2.91 0.00 2.98 4.77 -1.26 -5.05 117.00 122.54 1sh3 n LEU 46 Ca 0.12 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 1sh3 n LEU 46 Cb 0.12 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1sh3 n LEU 46 CO 0.38 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1sh3 n GLY 47 N -0.82 -1.79 0.29 -0.72 0.00 -1.26 -4.48 105.19 96.40 1sh3 n GLY 47 Ca 0.16 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.25 1sh3 n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sh3 h GLY 48 N 0.00 0.84 -2.90 -0.02 0.00 -1.87 -1.73 103.07 97.39 1sh3 h GLY 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1sh3 h GLY 48 CO 0.00 -0.31 0.00 0.28 0.00 0.00 0.00 176.54 176.51 1sh3 n LYS 49 N -5.39 4.17 -1.53 4.80 5.02 -1.26 -4.43 118.16 119.54 1sh3 n LYS 49 Ca 0.14 -3.02 -0.52 0.00 -2.02 0.00 0.00 58.31 52.89 1sh3 n LYS 49 Cb 0.49 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 1sh3 n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sh3 n ASP 50 N 0.37 2.30 -0.12 4.39 -0.08 -0.65 -4.79 116.55 117.97 1sh3 n ASP 50 Ca 0.25 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 1sh3 n ASP 50 Cb 1.06 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1sh3 n ASP 50 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1sh3 n PRO 51 N 7.34 0.45 -0.00 -0.67 -0.04 -1.26 -1.12 135.00 139.69 1sh3 n PRO 51 Ca 0.36 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1sh3 n PRO 51 Cb 0.20 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1sh3 n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sh3 n ARG 52 N -0.32 2.55 -3.84 0.54 1.74 -1.26 -4.97 116.66 111.10 1sh3 n ARG 52 Ca 0.00 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 1sh3 n ARG 52 Cb 0.03 -0.94 -0.17 0.00 -1.02 0.00 0.00 32.46 30.36 1sh3 n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sh3 s VAL 53 N -1.95 0.87 -0.08 1.55 1.01 -0.28 -5.03 120.40 116.49 1sh3 s VAL 53 Ca -0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1sh3 s VAL 53 Cb 0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1sh3 s VAL 53 CO 0.21 0.10 1.13 -0.75 0.00 0.00 0.00 175.10 175.79 1sh3 s LYS 54 N 1.74 4.37 -1.28 2.72 2.47 -1.26 -4.17 119.74 124.34 1sh3 s LYS 54 Ca 0.01 1.57 -0.02 0.00 -1.56 0.00 0.00 55.97 55.97 1sh3 s LYS 54 Cb -0.15 -3.56 0.01 0.00 -1.46 0.00 0.00 37.83 32.67 1sh3 s LYS 54 CO -0.07 -0.41 0.93 0.41 0.16 0.00 0.00 175.35 176.37 1sh3 n GLY 55 N 3.27 -0.37 3.19 5.54 0.00 -1.26 -5.02 105.19 110.54 1sh3 n GLY 55 Ca 0.10 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1sh3 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh3 n GLY 56 N -1.42 -1.26 3.64 -0.02 0.00 -1.26 -5.06 105.19 99.81 1sh3 n GLY 56 Ca -0.23 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1sh3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh3 s PRO 57 N -5.33 -0.05 0.33 1.61 0.04 -1.26 -4.77 135.00 125.56 1sh3 s PRO 57 Ca 0.62 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1sh3 s PRO 57 Cb -0.02 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1sh3 s PRO 57 CO 0.43 -3.03 1.08 0.45 0.04 0.00 0.00 177.00 175.97 1sh3 s SER 58 N -3.48 7.02 0.23 6.66 0.15 -1.26 -3.93 113.70 119.09 1sh3 s SER 58 Ca 0.67 2.19 -0.07 0.00 0.70 0.00 0.00 55.95 59.43 1sh3 s SER 58 Cb -0.17 -2.61 0.30 0.00 -1.71 0.00 0.00 66.02 61.83 1sh3 s SER 58 CO 0.58 -0.31 1.82 -0.07 1.20 0.00 0.00 173.24 176.45 1sh3 h LEU 59 N 3.23 0.63 -2.00 3.45 3.38 -1.94 -1.11 115.31 120.95 1sh3 h LEU 59 Ca -0.47 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1sh3 h LEU 59 Cb 1.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1sh3 h LEU 59 CO 0.65 0.40 -0.10 1.56 0.09 0.00 0.00 178.44 181.03 1sh3 h GLN 60 N 0.77 0.00 -0.27 1.13 7.50 -1.97 0.17 115.11 122.44 1sh3 h GLN 60 Ca 0.34 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.38 1sh3 h GLN 60 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 1sh3 h GLN 60 CO -0.20 0.10 -0.27 1.96 -1.50 0.00 0.00 178.83 178.92 1sh3 h GLN 61 N 0.00 0.66 -0.23 1.46 1.08 -1.61 -3.07 115.11 113.40 1sh3 h GLN 61 Ca -0.00 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1sh3 h GLN 61 Cb 0.24 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1sh3 h GLN 61 CO 0.01 0.96 0.10 0.28 -0.95 0.00 0.00 178.83 179.23 1sh3 h VAL 62 N 0.39 1.09 -0.17 -0.54 2.07 0.14 -1.65 116.25 117.57 1sh3 h VAL 62 Ca 0.04 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.10 1sh3 h VAL 62 Cb 0.84 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1sh3 h VAL 62 CO 0.07 0.10 -0.67 -0.03 0.02 0.00 0.00 177.57 177.07 1sh3 h MET 63 N 0.32 0.76 -0.72 1.57 1.85 -1.42 -2.91 114.93 114.37 1sh3 h MET 63 Ca 0.08 -0.58 0.16 0.00 -0.61 0.00 0.00 59.70 58.75 1sh3 h MET 63 Cb 0.06 0.11 -0.13 0.00 0.43 0.00 0.00 31.60 32.07 1sh3 h MET 63 CO -0.01 1.20 -0.03 0.00 -0.40 0.00 0.00 176.91 177.67 1sh3 h ARG 64 N 0.48 0.08 -1.01 0.39 3.08 -1.22 0.23 114.38 116.42 1sh3 h ARG 64 Ca -0.03 -0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.28 1sh3 h ARG 64 Cb 1.29 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1sh3 h ARG 64 CO 0.14 0.06 0.70 -0.44 -1.07 0.00 0.00 179.97 179.35 1sh3 h ASP 65 N 0.09 0.18 0.35 7.04 3.32 -1.21 -1.37 116.42 124.82 1sh3 h ASP 65 Ca 0.39 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1sh3 h ASP 65 Cb 0.66 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1sh3 h ASP 65 CO -0.65 0.05 -0.31 0.00 -1.72 0.00 0.00 179.24 176.61 1sh3 n GLN 66 N -4.38 0.55 -0.04 3.56 1.13 0.81 -4.26 117.38 114.75 1sh3 n GLN 66 Ca 0.22 -0.31 -0.14 0.00 -1.94 0.00 0.00 57.00 54.84 1sh3 n GLN 66 Cb 0.97 -1.49 -0.14 0.00 0.11 0.00 0.00 30.24 29.69 1sh3 n GLN 66 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1sh3 n LEU 67 N -0.96 1.54 -0.11 1.08 4.77 -0.52 -4.34 117.00 118.47 1sh3 n LEU 67 Ca 0.10 0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 1sh3 n LEU 67 Cb 0.34 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1sh3 n LEU 67 CO 0.28 0.62 0.70 0.50 -1.33 0.00 0.00 177.39 178.16 1sh3 h LYS 68 N 0.02 -0.17 0.00 3.23 3.64 -1.74 0.53 116.57 122.08 1sh3 h LYS 68 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1sh3 h LYS 68 Cb 2.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1sh3 h LYS 68 CO 0.05 -0.11 0.34 -2.30 -2.27 0.00 0.00 179.45 175.17 1sh3 n PRO 69 N -5.39 0.08 -0.05 1.90 -0.02 -1.26 -1.24 135.00 129.01 1sh3 n PRO 69 Ca 0.02 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1sh3 n PRO 69 Cb 0.30 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 1sh3 n PRO 69 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sh3 n PHE 70 N -1.98 0.21 0.50 6.00 3.72 0.15 -4.47 117.46 121.60 1sh3 n PHE 70 Ca -0.01 0.07 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 1sh3 n PHE 70 Cb 0.36 -0.90 -0.12 0.00 -0.94 0.00 0.00 39.48 37.88 1sh3 n PHE 70 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sh3 n THR 71 N -2.67 0.03 -1.62 4.37 -2.24 -0.37 -4.54 114.28 107.24 1sh3 n THR 71 Ca -0.21 -0.25 -0.45 0.00 -2.27 0.00 0.00 64.05 60.87 1sh3 n THR 71 Cb 0.96 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1sh3 n THR 71 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sh3 n GLU 72 N -1.90 1.61 -1.78 -0.78 4.07 -0.38 -4.94 120.64 116.55 1sh3 n GLU 72 Ca 0.00 0.57 -0.40 0.00 -0.06 0.00 0.00 57.16 57.27 1sh3 n GLU 72 Cb 0.45 -2.06 0.01 0.00 -0.06 0.00 0.00 31.44 29.77 1sh3 n GLU 72 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1sh3 s PRO 73 N -1.12 3.86 0.88 5.31 0.02 -1.26 -4.99 135.00 137.69 1sh3 s PRO 73 Ca 0.63 2.51 -0.11 0.00 0.02 0.00 0.00 61.00 64.06 1sh3 s PRO 73 Cb -0.70 -2.79 0.12 0.00 0.02 0.00 0.00 34.50 31.15 1sh3 s PRO 73 CO 0.56 -0.72 1.10 1.03 -0.33 0.00 0.00 177.00 178.65 1sh3 s ARG 74 N -2.31 1.37 0.00 5.54 1.81 -1.26 -5.07 118.95 119.02 1sh3 s ARG 74 Ca 0.58 1.13 0.00 0.00 -1.72 0.00 0.00 55.73 55.71 1sh3 s ARG 74 Cb -0.46 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 1sh3 s ARG 74 CO 0.60 -2.25 0.00 0.41 -0.68 0.00 0.00 175.30 173.38 1sh3 n GLY 75 N -0.66 -1.78 3.71 -3.53 0.00 -1.23 -5.00 105.19 96.69 1sh3 n GLY 75 Ca 0.09 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1sh3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh3 s LYS 76 N -2.81 4.40 0.28 1.61 1.02 -0.92 -4.95 119.74 118.38 1sh3 s LYS 76 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 1sh3 s LYS 76 Cb 0.00 -3.39 -0.10 0.00 -0.52 0.00 0.00 37.83 33.82 1sh3 s LYS 76 CO 0.00 -0.32 1.17 -2.14 -0.92 0.00 0.00 175.35 173.14 1sh3 s PRO 77 N 1.35 4.54 0.26 -1.68 0.02 -1.26 -4.37 135.00 133.86 1sh3 s PRO 77 Ca 0.59 1.93 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 1sh3 s PRO 77 Cb -0.29 -3.16 -0.13 0.00 0.02 0.00 0.00 34.50 30.93 1sh3 s PRO 77 CO 0.28 0.05 1.45 -2.30 -0.33 0.00 0.00 177.00 176.15 1sh3 n PRO 78 N 1.29 2.20 -1.36 5.54 -0.02 -1.26 -4.72 135.00 136.67 1sh3 n PRO 78 Ca 0.00 0.78 -0.58 0.00 -2.02 0.00 0.00 63.50 61.68 1sh3 n PRO 78 Cb 0.44 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1sh3 n PRO 78 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sh3 n LYS 79 N 1.98 0.00 -0.24 -0.52 5.02 -1.26 -4.56 118.16 118.58 1sh3 n LYS 79 Ca 0.10 0.00 0.32 0.00 -2.02 0.00 0.00 58.31 56.71 1sh3 n LYS 79 Cb 0.33 -1.38 0.73 0.00 -0.02 0.00 0.00 35.03 34.69 1sh3 n LYS 79 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1sh3 h PRO 80 N 6.60 0.00 -0.42 1.97 0.11 -2.00 0.54 132.00 138.80 1sh3 h PRO 80 Ca -0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 1sh3 h PRO 80 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1sh3 h PRO 80 CO 0.95 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.53 1sh3 h SER 81 N 0.00 0.62 1.11 -2.05 4.64 -2.00 -2.36 113.55 113.51 1sh3 h SER 81 Ca 0.49 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1sh3 h SER 81 Cb 2.09 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.99 1sh3 h SER 81 CO -0.01 0.67 -0.67 0.58 -0.87 0.00 0.00 176.83 176.54 1sh3 h VAL 82 N 0.54 1.23 0.40 0.95 2.07 -0.26 -2.94 116.25 118.24 1sh3 h VAL 82 Ca 0.13 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1sh3 h VAL 82 Cb 0.28 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1sh3 h VAL 82 CO -0.00 0.65 -0.19 0.25 0.02 0.00 0.00 177.57 178.30 1sh3 h LEU 83 N 0.00 -0.45 -1.37 2.57 5.85 -1.37 -1.42 115.31 119.12 1sh3 h LEU 83 Ca -0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1sh3 h LEU 83 Cb 1.40 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1sh3 h LEU 83 CO 0.09 -0.07 0.00 -0.33 -0.34 0.00 0.00 178.44 177.78 1sh3 h GLU 84 N -0.90 0.00 0.16 1.25 4.39 -1.51 0.47 114.58 118.43 1sh3 h GLU 84 Ca -0.05 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.30 1sh3 h GLU 84 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1sh3 h GLU 84 CO 0.09 0.00 -1.79 0.00 -1.16 0.00 0.00 179.01 176.15 1sh3 h ALA 85 N 2.10 0.27 0.00 3.43 0.00 -1.54 -2.89 119.26 120.63 1sh3 h ALA 85 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1sh3 h ALA 85 Cb 0.30 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1sh3 h ALA 85 CO 0.00 1.14 0.00 0.00 0.00 0.00 0.00 179.25 180.39 1sh3 h ALA 86 N 0.19 1.00 0.01 0.00 0.00 -0.51 -1.39 119.26 118.56 1sh3 h ALA 86 Ca -0.35 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 1sh3 h ALA 86 Cb 2.07 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.88 1sh3 h ALA 86 CO 0.15 0.00 -1.03 -0.22 0.00 0.00 0.00 179.25 178.15 1sh3 h LYS 87 N 0.00 0.67 0.00 0.00 3.64 -1.01 -2.74 116.57 117.13 1sh3 h LYS 87 Ca 0.00 -0.74 -0.04 0.00 -1.27 0.00 0.00 60.65 58.60 1sh3 h LYS 87 Cb 0.45 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1sh3 h LYS 87 CO 0.00 1.32 -0.19 0.87 -2.27 0.00 0.00 179.45 179.17 1sh3 h LYS 88 N 0.33 0.00 0.11 1.90 1.57 -1.21 -2.65 116.57 116.62 1sh3 h LYS 88 Ca -0.13 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.37 1sh3 h LYS 88 Cb 1.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.01 1sh3 h LYS 88 CO 0.20 0.19 -1.19 1.15 -0.57 0.00 0.00 179.45 179.23 1sh3 h THR 89 N 0.00 1.39 -0.38 -0.16 2.02 -1.27 -2.39 112.91 112.11 1sh3 h THR 89 Ca -0.00 -2.69 -0.12 0.00 0.77 0.00 0.00 66.41 64.37 1sh3 h THR 89 Cb 0.65 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1sh3 h THR 89 CO 0.03 0.80 -0.25 0.40 0.37 0.00 0.00 175.52 176.86 1sh3 h ILE 90 N 0.18 1.27 -0.15 3.11 2.04 -1.41 -2.60 117.51 119.96 1sh3 h ILE 90 Ca -0.15 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 1sh3 h ILE 90 Cb 1.87 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1sh3 h ILE 90 CO 0.21 0.46 0.08 0.40 0.00 0.00 0.00 178.15 179.30 1sh3 h ILE 91 N 0.68 1.10 -0.62 -0.67 2.04 -1.50 0.15 117.51 118.69 1sh3 h ILE 91 Ca 0.09 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1sh3 h ILE 91 Cb 0.77 1.03 -0.11 0.00 -0.74 0.00 0.00 36.82 37.77 1sh3 h ILE 91 CO 0.06 0.09 -0.46 0.78 0.00 0.00 0.00 178.15 178.63 1sh3 h ASN 92 N 0.13 -1.59 -0.43 1.72 -0.26 -1.36 0.38 115.58 114.17 1sh3 h ASN 92 Ca 0.05 0.26 -0.03 0.00 -0.56 0.00 0.00 56.30 56.02 1sh3 h ASN 92 Cb 0.08 0.72 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1sh3 h ASN 92 CO -0.01 -0.33 0.16 0.58 -1.06 0.00 0.00 177.43 176.77 1sh3 h VAL 93 N -0.21 1.21 -0.21 2.81 2.07 -1.06 -1.12 116.25 119.73 1sh3 h VAL 93 Ca 0.18 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1sh3 h VAL 93 Cb 0.56 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1sh3 h VAL 93 CO -0.72 0.24 -0.01 -0.07 0.02 0.00 0.00 177.57 177.03 1sh3 h LEU 94 N 0.55 0.38 -1.09 2.57 3.38 -0.31 -2.37 115.31 118.42 1sh3 h LEU 94 Ca 0.14 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1sh3 h LEU 94 Cb 0.22 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1sh3 h LEU 94 CO -0.01 0.61 0.62 -0.08 0.09 0.00 0.00 178.44 179.67 1sh3 h GLU 95 N 0.13 0.95 -0.44 1.13 4.81 0.01 -0.95 114.58 120.22 1sh3 h GLU 95 Ca 0.06 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sh3 h GLU 95 Cb 0.42 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1sh3 h GLU 95 CO 0.01 0.63 0.21 1.96 -0.73 0.00 0.00 179.01 181.09 1sh3 h GLN 96 N 0.98 0.64 0.00 1.92 4.20 -1.11 -3.40 115.11 118.33 1sh3 h GLN 96 Ca 0.46 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1sh3 h GLN 96 Cb 0.42 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1sh3 h GLN 96 CO -0.22 0.55 0.00 2.41 -0.67 0.00 0.00 178.83 180.90 1sh3 n THR 97 N -4.65 0.00 -2.08 -0.54 -1.04 -0.46 -5.00 114.28 100.51 1sh3 n THR 97 Ca 0.01 0.49 -0.31 0.00 -2.04 0.00 0.00 64.05 62.20 1sh3 n THR 97 Cb 0.12 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.13 1sh3 n THR 97 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sh3 s ILE 98 N -0.99 4.62 0.25 12.58 -5.25 -0.63 -5.09 121.20 126.70 1sh3 s ILE 98 Ca 0.00 1.01 -0.03 0.00 -0.99 0.00 0.00 60.65 60.64 1sh3 s ILE 98 Cb 0.00 -3.80 -0.05 0.00 2.95 0.00 0.00 42.46 41.57 1sh3 s ILE 98 CO 0.00 -0.95 0.49 -1.81 -1.79 0.00 0.00 174.94 170.87 1sh3 s ASP 99 N -3.71 6.42 0.03 4.36 1.11 -1.26 -4.83 116.67 118.79 1sh3 s ASP 99 Ca 0.57 0.59 -0.35 0.00 0.18 0.00 0.00 52.55 53.54 1sh3 s ASP 99 Cb -0.11 -2.09 -0.14 0.00 1.07 0.00 0.00 42.92 41.66 1sh3 s ASP 99 CO 0.45 -0.13 1.67 -2.65 1.18 0.00 0.00 175.17 175.69 1sh3 n PRO 100 N -0.81 1.96 -2.26 8.23 -0.02 -1.26 -4.93 135.00 135.90 1sh3 n PRO 100 Ca -0.03 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 1sh3 n PRO 100 Cb 0.54 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1sh3 n PRO 100 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sh3 s PRO 101 N 2.20 3.74 0.52 0.52 0.04 -1.26 -5.03 135.00 135.73 1sh3 s PRO 101 Ca 0.86 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 1sh3 s PRO 101 Cb -0.75 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1sh3 s PRO 101 CO 0.46 -0.45 1.13 -0.51 0.04 0.00 0.00 177.00 177.68 1sh3 s ASP 102 N -3.05 5.84 0.57 6.66 1.01 -1.26 -4.52 116.67 121.92 1sh3 s ASP 102 Ca 0.60 2.19 -0.20 0.00 0.71 0.00 0.00 52.55 55.85 1sh3 s ASP 102 Cb -0.12 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1sh3 s ASP 102 CO 0.34 -1.14 1.30 -0.54 0.21 0.00 0.00 175.17 175.35 1sh3 s LYS 103 N -3.16 3.01 -0.15 8.23 1.02 -1.26 -4.26 119.74 123.17 1sh3 s LYS 103 Ca 0.71 2.09 -0.01 0.00 0.02 0.00 0.00 55.97 58.78 1sh3 s LYS 103 Cb -0.25 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1sh3 s LYS 103 CO 0.28 -1.25 -0.12 -1.58 -0.92 0.00 0.00 175.35 171.77 1sh3 s TRP 104 N -1.39 2.84 0.90 3.18 0.52 -1.26 -4.93 118.94 118.80 1sh3 s TRP 104 Ca 0.75 -0.77 -0.13 0.00 0.02 0.00 0.00 56.10 55.97 1sh3 s TRP 104 Cb -0.37 -1.90 0.14 0.00 -1.15 0.00 0.00 33.47 30.19 1sh3 s TRP 104 CO 0.42 -0.32 1.18 -1.54 0.02 0.00 0.00 176.95 176.71 1sh3 s SER 105 N 0.63 3.63 0.15 2.95 1.04 -1.26 -4.85 113.70 116.00 1sh3 s SER 105 Ca -0.07 0.77 -0.16 0.00 0.48 0.00 0.00 55.95 56.98 1sh3 s SER 105 Cb -0.15 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.78 1sh3 s SER 105 CO 0.03 -2.45 1.79 0.15 0.98 0.00 0.00 173.24 173.74 1sh3 h PHE 106 N -1.43 0.42 -0.30 5.02 3.57 -1.99 -2.05 116.94 120.18 1sh3 h PHE 106 Ca -0.48 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.11 1sh3 h PHE 106 Cb 1.31 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.85 1sh3 h PHE 106 CO -0.07 0.24 -0.20 0.00 -2.23 0.00 0.00 178.31 176.06 1sh3 h ALA 107 N 1.17 0.01 -0.10 2.41 0.00 -1.93 -0.92 119.26 119.90 1sh3 h ALA 107 Ca 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1sh3 h ALA 107 Cb 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sh3 h ALA 107 CO -0.07 -0.60 -0.30 1.96 0.00 0.00 0.00 179.25 180.24 1sh3 h GLN 108 N -0.17 0.19 -0.11 0.00 4.20 -1.91 -0.64 115.11 116.67 1sh3 h GLN 108 Ca 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1sh3 h GLN 108 Cb 0.41 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1sh3 h GLN 108 CO -0.41 0.48 -0.01 0.00 -0.67 0.00 0.00 178.83 178.23 1sh3 h ALA 109 N 1.52 0.15 -0.16 3.87 0.00 -0.58 0.14 119.26 124.21 1sh3 h ALA 109 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1sh3 h ALA 109 Cb 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1sh3 h ALA 109 CO 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.07 1sh3 h ALA 111 N 1.09 1.96 0.00 0.00 0.00 -0.85 -2.83 119.26 118.62 1sh3 h ALA 111 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1sh3 h ALA 111 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sh3 h ALA 111 CO -0.20 -0.16 -0.45 0.66 0.00 0.00 0.00 179.25 179.10 1sh3 h SER 112 N 0.56 0.00 -4.00 0.00 4.64 -0.53 -3.46 113.55 110.76 1sh3 h SER 112 Ca 0.39 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.21 1sh3 h SER 112 Cb 0.71 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.86 1sh3 h SER 112 CO -0.15 0.45 0.46 -0.76 -0.87 0.00 0.00 176.83 175.96 1sh3 s LEU 113 N -6.80 4.03 -0.16 5.97 1.43 -1.07 -4.96 118.68 117.12 1sh3 s LEU 113 Ca 0.02 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.04 1sh3 s LEU 113 Cb 0.10 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 1sh3 s LEU 113 CO 0.71 -0.81 1.25 -0.62 0.23 0.00 0.00 176.35 177.11 1sh3 s ASP 114 N -1.45 6.96 0.42 2.29 2.15 -1.26 -4.93 116.67 120.85 1sh3 s ASP 114 Ca 0.62 1.68 0.23 0.00 0.43 0.00 0.00 52.55 55.52 1sh3 s ASP 114 Cb -0.26 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.42 1sh3 s ASP 114 CO 0.32 -0.75 1.69 0.11 -0.17 0.00 0.00 175.17 176.37 1sh3 h LYS 115 N 8.12 0.00 0.00 4.34 1.79 -1.95 -3.32 116.57 125.55 1sh3 h LYS 115 Ca -0.26 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.09 1sh3 h LYS 115 Cb 1.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1sh3 h LYS 115 CO 0.97 0.19 -0.53 1.79 -1.08 0.00 0.00 179.45 180.79 1sh3 h THR 116 N 0.00 1.18 -3.65 -0.16 1.35 -1.95 0.27 112.91 109.95 1sh3 h THR 116 Ca -0.00 -1.94 -0.46 0.00 -0.55 0.00 0.00 66.41 63.45 1sh3 h THR 116 Cb 0.95 2.11 0.07 0.00 -1.73 0.00 0.00 68.15 69.54 1sh3 h THR 116 CO 0.02 0.52 0.20 0.42 -0.25 0.00 0.00 175.52 176.43 1sh3 s THR 117 N -3.52 2.77 0.64 6.82 -4.23 -1.25 -4.69 115.64 112.18 1sh3 s THR 117 Ca -0.00 -0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1sh3 s THR 117 Cb 0.11 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1sh3 s THR 117 CO 0.73 -0.16 1.17 -0.55 -0.54 0.00 0.00 174.62 175.27 1sh3 s SER 118 N -4.44 4.98 0.25 3.99 0.15 -1.26 -1.68 113.70 115.69 1sh3 s SER 118 Ca 0.58 2.25 0.25 0.00 0.70 0.00 0.00 55.95 59.72 1sh3 s SER 118 Cb -0.11 -2.58 0.94 0.00 -1.71 0.00 0.00 66.02 62.56 1sh3 s SER 118 CO 0.44 -1.73 1.74 -1.54 1.20 0.00 0.00 173.24 173.35 1sh3 n SER 119 N -2.06 0.73 0.00 5.45 3.41 -0.65 -4.71 113.62 115.78 1sh3 n SER 119 Ca 0.12 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1sh3 n SER 119 Cb 0.51 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1sh3 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh3 n GLY 120 N 0.37 0.06 3.77 5.00 0.00 -1.26 -0.86 105.19 112.28 1sh3 n GLY 120 Ca 0.03 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1sh3 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sh3 s HIS 121 N 0.00 2.79 -2.42 1.61 5.65 -1.26 -0.72 115.29 120.94 1sh3 s HIS 121 Ca 0.00 1.22 0.23 0.00 0.25 0.00 0.00 55.06 56.75 1sh3 s HIS 121 Cb 0.00 -3.90 0.42 0.00 -1.18 0.00 0.00 32.58 27.92 1sh3 s HIS 121 CO 0.00 -2.62 1.39 -0.35 -0.65 0.00 0.00 174.74 172.51 1sh3 n PRO 122 N 0.83 2.49 -0.03 2.88 -0.04 -1.26 -4.11 135.00 135.76 1sh3 n PRO 122 Ca 0.02 -2.28 0.03 0.00 -0.04 0.00 0.00 63.50 61.22 1sh3 n PRO 122 Cb 0.40 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 1sh3 n PRO 122 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sh3 n HIS 123 N 1.47 0.19 -3.71 0.54 8.25 -0.76 -5.00 115.22 116.19 1sh3 n HIS 123 Ca 0.19 0.06 -0.28 0.00 -0.26 0.00 0.00 57.72 57.43 1sh3 n HIS 123 Cb 0.60 -0.77 0.02 0.00 1.12 0.00 0.00 29.99 30.96 1sh3 n HIS 123 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sh3 n HIS 124 N -2.52 -2.01 -3.78 4.41 8.25 0.10 -4.94 115.22 114.73 1sh3 n HIS 124 Ca -0.14 0.61 -0.24 0.00 -0.26 0.00 0.00 57.72 57.69 1sh3 n HIS 124 Cb 0.79 -3.16 -0.17 0.00 1.12 0.00 0.00 29.99 28.58 1sh3 n HIS 124 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1sh3 s MET 125 N -5.47 0.72 0.10 -0.41 0.00 -1.26 -4.89 119.30 108.08 1sh3 s MET 125 Ca 0.24 -0.03 -0.33 0.00 0.00 0.00 0.00 55.69 55.57 1sh3 s MET 125 Cb -0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 34.83 33.35 1sh3 s MET 125 CO 0.88 -0.36 1.77 2.89 0.00 0.00 0.00 175.02 180.20 1sh3 n ARG 126 N 5.11 2.50 -0.20 4.11 -4.01 -1.26 -1.64 116.66 121.26 1sh3 n ARG 126 Ca -0.08 0.91 -0.00 0.00 -1.04 0.00 0.00 57.85 57.64 1sh3 n ARG 126 Cb 0.49 -2.76 0.07 0.00 -3.04 0.00 0.00 32.46 27.23 1sh3 n ARG 126 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 1sh3 h LYS 127 N 7.90 0.03 -0.56 2.89 1.57 -1.15 -1.93 116.57 125.32 1sh3 h LYS 127 Ca -0.46 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1sh3 h LYS 127 Cb 1.24 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 1sh3 h LYS 127 CO 0.93 0.02 0.01 -0.97 -0.57 0.00 0.00 179.45 178.88 1sh3 h ASN 128 N 0.03 -0.22 -1.30 0.86 -1.24 -0.75 -0.95 115.58 112.02 1sh3 h ASN 128 Ca 0.30 0.13 0.38 0.00 0.71 0.00 0.00 56.30 57.82 1sh3 h ASN 128 Cb 0.48 0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.70 1sh3 h ASN 128 CO -0.60 -0.08 0.93 0.44 -1.29 0.00 0.00 177.43 176.83 1sh3 h ASP 129 N 0.13 0.03 -1.75 1.15 3.32 -1.64 -1.83 116.42 115.83 1sh3 h ASP 129 Ca 0.29 0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.77 1sh3 h ASP 129 Cb 0.44 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.58 1sh3 h ASP 129 CO -0.46 -0.00 -0.75 0.00 -1.72 0.00 0.00 179.24 176.30 1sh3 s TRP 131 N -3.45 -0.94 -0.83 0.00 -0.11 -0.69 -1.00 118.94 111.92 1sh3 s TRP 131 Ca 0.46 1.90 0.23 0.00 1.22 0.00 0.00 56.10 59.92 1sh3 s TRP 131 Cb 0.36 0.53 0.04 0.00 -1.50 0.00 0.00 33.47 32.91 1sh3 s TRP 131 CO -0.15 -0.48 1.05 0.27 -4.62 0.00 0.00 176.95 173.02 1sh3 n ASN 132 N 4.28 0.70 0.00 5.86 0.23 -0.48 -4.92 115.26 120.92 1sh3 n ASN 132 Ca -0.21 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 1sh3 n ASN 132 Cb 0.58 0.79 0.00 0.00 -2.08 0.00 0.00 39.78 39.07 1sh3 n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sh3 n GLY 133 N 1.45 1.61 0.00 4.83 0.00 -1.26 -4.90 105.19 106.92 1sh3 n GLY 133 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1sh3 n GLY 133 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sh3 n GLU 134 N 0.00 1.21 -4.03 1.61 0.28 -1.26 -5.06 120.64 113.40 1sh3 n GLU 134 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1sh3 n GLU 134 Cb 0.00 -0.10 -0.08 0.00 1.43 0.00 0.00 31.44 32.69 1sh3 n GLU 134 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1sh3 s SER 135 N 0.00 0.11 0.31 -1.84 0.01 -1.26 -4.84 113.70 106.19 1sh3 s SER 135 Ca 0.00 -0.99 -0.14 0.00 1.31 0.00 0.00 55.95 56.13 1sh3 s SER 135 Cb 0.00 0.40 -0.09 0.00 0.21 0.00 0.00 66.02 66.55 1sh3 s SER 135 CO 0.00 -0.86 0.71 -0.36 0.41 0.00 0.00 173.24 173.14 1sh3 s PHE 136 N -4.00 3.38 0.00 2.43 0.08 -1.26 -1.39 117.98 117.22 1sh3 s PHE 136 Ca 0.20 1.16 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1sh3 s PHE 136 Cb 0.04 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1sh3 s PHE 136 CO 0.02 0.12 0.00 2.41 -0.10 0.00 0.00 175.22 177.66 1sh3 n THR 137 N -0.34 0.00 0.00 0.64 -1.04 -0.17 -4.24 114.28 109.12 1sh3 n THR 137 Ca 0.03 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1sh3 n THR 137 Cb 0.53 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1sh3 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sh3 n GLY 138 N 2.46 0.43 0.46 3.41 0.00 -1.26 -3.89 105.19 106.80 1sh3 n GLY 138 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 1sh3 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sh3 h LYS 139 N 0.00 0.02 -0.00 1.61 1.57 -1.97 -1.36 116.57 116.43 1sh3 h LYS 139 Ca 0.00 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1sh3 h LYS 139 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1sh3 h LYS 139 CO 0.00 0.01 -0.90 -0.07 -0.57 0.00 0.00 179.45 177.93 1sh3 h LEU 140 N 0.02 0.36 -0.46 2.94 3.38 -1.91 -2.18 115.31 117.47 1sh3 h LEU 140 Ca 0.43 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sh3 h LEU 140 Cb 1.70 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 1sh3 h LEU 140 CO -0.01 1.09 0.28 0.00 0.09 0.00 0.00 178.44 179.89 1sh3 h ALA 141 N 0.89 0.58 -0.33 1.53 0.00 -1.37 -0.31 119.26 120.25 1sh3 h ALA 141 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sh3 h ALA 141 Cb 1.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1sh3 h ALA 141 CO 0.14 0.06 0.20 -0.44 0.00 0.00 0.00 179.25 179.22 1sh3 h ASP 142 N 0.61 0.39 -0.46 0.00 3.32 -1.46 0.11 116.42 118.93 1sh3 h ASP 142 Ca 0.16 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1sh3 h ASP 142 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1sh3 h ASP 142 CO -0.03 0.32 0.09 -0.61 -1.72 0.00 0.00 179.24 177.29 1sh3 h GLN 143 N 0.43 0.75 -0.07 3.56 4.15 -1.30 -2.36 115.11 120.28 1sh3 h GLN 143 Ca 0.12 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 1sh3 h GLN 143 Cb -0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1sh3 h GLN 143 CO -0.02 0.76 -0.10 0.00 -1.93 0.00 0.00 178.83 177.54 1sh3 h ALA 144 N 0.96 0.11 -0.32 3.38 0.00 -0.93 -2.16 119.26 120.31 1sh3 h ALA 144 Ca 0.14 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sh3 h ALA 144 Cb 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1sh3 h ALA 144 CO 0.01 -0.05 -0.07 0.77 0.00 0.00 0.00 179.25 179.91 1sh3 h SER 145 N -0.27 -0.27 0.02 0.00 0.02 -0.83 0.04 113.55 112.26 1sh3 h SER 145 Ca 0.01 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1sh3 h SER 145 Cb 0.64 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 1sh3 h SER 145 CO 0.02 -0.09 -0.24 0.50 -1.14 0.00 0.00 176.83 175.88 1sh3 h LYS 146 N 0.01 -0.37 -0.68 3.45 1.63 -1.48 0.80 116.57 119.94 1sh3 h LYS 146 Ca 0.15 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.12 1sh3 h LYS 146 Cb 0.23 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 31.82 1sh3 h LYS 146 CO -0.32 -0.25 -0.08 0.00 -3.45 0.00 0.00 179.45 175.36 1sh3 h ALA 147 N 0.45 0.58 0.11 5.00 0.00 -1.02 -1.37 119.26 123.02 1sh3 h ALA 147 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sh3 h ALA 147 Cb 0.46 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1sh3 h ALA 147 CO -0.20 -0.42 -0.05 -0.97 0.00 0.00 0.00 179.25 177.61 1sh3 h ASN 148 N 0.06 -0.13 -0.42 0.00 -1.24 -0.20 -2.05 115.58 111.60 1sh3 h ASN 148 Ca 0.35 -0.10 0.09 0.00 0.71 0.00 0.00 56.30 57.35 1sh3 h ASN 148 Cb 0.57 0.03 -0.09 0.00 0.73 0.00 0.00 38.32 39.56 1sh3 h ASN 148 CO -0.64 0.02 -0.26 0.25 -1.29 0.00 0.00 177.43 175.51 1sh3 h LEU 149 N -0.27 -0.86 -1.22 0.34 7.12 -0.20 -0.43 115.31 119.79 1sh3 h LEU 149 Ca -0.02 0.18 0.10 0.00 0.13 0.00 0.00 57.88 58.27 1sh3 h LEU 149 Cb 0.22 0.43 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 1sh3 h LEU 149 CO 0.03 -0.27 0.57 0.24 -0.13 0.00 0.00 178.44 178.87 1sh3 h MET 150 N -0.18 0.82 -0.57 1.25 2.86 -1.08 -0.69 114.93 117.35 1sh3 h MET 150 Ca 0.20 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1sh3 h MET 150 Cb 0.49 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1sh3 h MET 150 CO -0.52 0.54 0.09 0.35 1.06 0.00 0.00 176.91 178.43 1sh3 h PHE 151 N 0.85 1.00 -0.15 -0.22 3.57 -0.39 -3.28 116.94 118.32 1sh3 h PHE 151 Ca 0.41 -0.14 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 1sh3 h PHE 151 Cb 0.45 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1sh3 h PHE 151 CO -0.00 0.88 -0.56 0.93 -2.23 0.00 0.00 178.31 177.32 1sh3 h GLU 152 N 0.83 0.47 0.00 1.11 5.08 -0.05 -3.42 114.58 118.61 1sh3 h GLU 152 Ca 0.17 -0.30 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 1sh3 h GLU 152 Cb 0.42 0.04 0.07 0.00 0.50 0.00 0.00 28.75 29.78 1sh3 h GLU 152 CO 0.01 0.90 0.11 0.39 -1.00 0.00 0.00 179.01 179.42 1sh3 n GLU 153 N -3.94 -0.02 -0.02 2.33 1.02 -0.71 -5.04 120.64 114.27 1sh3 n GLU 153 Ca -0.03 -1.96 -0.13 0.00 -0.02 0.00 0.00 57.16 55.02 1sh3 n GLU 153 Cb 0.61 -0.54 -0.10 0.00 -0.02 0.00 0.00 31.44 31.38 1sh3 n GLU 153 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1sh3 h GLY 154 N -0.52 0.00 -0.41 0.62 0.00 -1.82 -3.46 103.07 97.49 1sh3 h GLY 154 Ca -0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1sh3 h GLY 154 CO 0.26 0.00 -0.00 0.28 0.00 0.00 0.00 176.54 177.08 1sh3 n LYS 155 N -4.83 0.00 -2.05 4.80 4.76 -1.24 -4.80 118.16 114.80 1sh3 n LYS 155 Ca -0.09 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 1sh3 n LYS 155 Cb 0.27 -0.10 0.02 0.00 -1.84 0.00 0.00 35.03 33.39 1sh3 n LYS 155 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1sh3 s ASN 156 N -0.01 5.91 0.02 4.39 -0.87 -1.26 -4.55 114.94 118.56 1sh3 s ASN 156 Ca 0.06 1.17 0.00 0.00 -1.57 0.00 0.00 52.86 52.52 1sh3 s ASN 156 Cb -0.09 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.25 38.96 1sh3 s ASN 156 CO 0.04 -1.00 -0.02 -0.04 -2.57 0.00 0.00 177.10 173.50 1sh3 s MET 157 N -5.15 0.23 -0.27 -0.60 -1.94 -1.26 -5.08 119.30 105.22 1sh3 s MET 157 Ca 0.55 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 53.87 1sh3 s MET 157 Cb -0.11 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 1sh3 s MET 157 CO 0.51 -0.03 0.65 0.95 -0.01 0.00 0.00 175.02 177.09 1sh3 s THR 158 N -1.07 4.94 0.50 2.05 -4.23 -1.26 -4.85 115.64 111.72 1sh3 s THR 158 Ca -0.12 1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 61.25 1sh3 s THR 158 Cb -0.07 -3.98 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 1sh3 s THR 158 CO -0.01 -0.06 1.22 -2.84 -0.54 0.00 0.00 174.62 172.39 1sh3 s PRO 159 N 2.60 3.47 -0.17 3.99 0.02 -1.26 -4.98 135.00 138.67 1sh3 s PRO 159 Ca 0.27 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 1sh3 s PRO 159 Cb -0.15 -2.28 0.05 0.00 0.02 0.00 0.00 34.50 32.14 1sh3 s PRO 159 CO 0.10 -0.82 -0.01 0.08 -0.33 0.00 0.00 177.00 176.02 1sh3 s VAL 160 N -1.51 0.82 0.20 3.83 1.01 -1.26 -4.29 120.40 119.21 1sh3 s VAL 160 Ca 0.68 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1sh3 s VAL 160 Cb -0.31 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 1sh3 s VAL 160 CO 0.37 -0.02 0.62 -0.31 0.00 0.00 0.00 175.10 175.77 1sh3 s TYR 161 N 1.74 3.56 -0.22 5.22 1.51 -0.13 -3.34 117.35 125.69 1sh3 s TYR 161 Ca -0.00 1.14 -0.07 0.00 -1.01 0.00 0.00 57.07 57.13 1sh3 s TYR 161 Cb -0.16 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1sh3 s TYR 161 CO -0.07 0.33 0.05 0.99 -1.11 0.00 0.00 175.55 175.74 1sh3 s THR 162 N -1.61 4.41 -0.06 -0.71 2.01 0.28 -0.61 115.64 119.35 1sh3 s THR 162 Ca 0.43 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1sh3 s THR 162 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1sh3 s THR 162 CO 0.20 0.40 1.27 -0.83 -0.69 0.00 0.00 174.62 174.96 1sh3 s GLY 163 N 1.07 1.95 0.21 4.40 0.00 0.41 0.87 107.32 116.23 1sh3 s GLY 163 Ca 0.04 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1sh3 s GLY 163 CO 0.03 2.36 0.07 0.00 0.00 0.00 0.00 173.10 175.55 1sh3 s ALA 164 N 2.54 1.47 -0.07 3.20 0.00 0.81 -4.86 121.76 124.84 1sh3 s ALA 164 Ca 0.58 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1sh3 s ALA 164 Cb -0.26 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1sh3 s ALA 164 CO 0.22 -0.43 -0.22 -0.51 0.00 0.00 0.00 175.76 174.82 1sh3 s LEU 165 N -3.23 2.00 -0.06 0.00 1.43 -1.26 0.50 118.68 118.06 1sh3 s LEU 165 Ca 0.32 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1sh3 s LEU 165 Cb 0.07 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 1sh3 s LEU 165 CO 0.09 0.18 1.57 -0.75 0.23 0.00 0.00 176.35 177.67 1sh3 s LYS 166 N 0.13 4.20 -0.77 1.70 2.20 0.60 -4.91 119.74 122.88 1sh3 s LYS 166 Ca -0.10 2.10 -0.25 0.00 -0.36 0.00 0.00 55.97 57.35 1sh3 s LYS 166 Cb -0.15 -3.89 0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1sh3 s LYS 166 CO 0.05 -0.79 1.24 0.34 -0.36 0.00 0.00 175.35 175.83 1sh3 s ASP 167 N 2.95 6.23 0.19 1.43 2.15 -1.26 -4.60 116.67 123.76 1sh3 s ASP 167 Ca 0.70 -0.76 -0.05 0.00 0.43 0.00 0.00 52.55 52.87 1sh3 s ASP 167 Cb -0.32 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.75 1sh3 s ASP 167 CO 0.27 -1.69 0.22 -1.83 -0.17 0.00 0.00 175.17 171.97 1sh3 s GLU 168 N 5.21 1.22 -0.08 4.34 -1.05 -1.26 -4.93 118.70 122.15 1sh3 s GLU 168 Ca 0.34 -1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 1sh3 s GLU 168 Cb -0.08 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 1sh3 s GLU 168 CO 0.09 -0.43 1.10 -0.51 0.95 0.00 0.00 175.26 176.46 1sh3 s LEU 169 N -3.08 4.26 0.27 1.83 1.43 -1.26 -0.46 118.68 121.68 1sh3 s LEU 169 Ca 0.29 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 1sh3 s LEU 169 Cb 0.05 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1sh3 s LEU 169 CO 0.08 -0.51 -0.02 0.68 0.23 0.00 0.00 176.35 176.81 1sh3 s VAL 170 N 2.08 1.38 0.03 -1.59 -7.23 0.71 -4.83 120.40 110.95 1sh3 s VAL 170 Ca 0.52 -2.07 -0.33 0.00 -1.81 0.00 0.00 61.98 58.29 1sh3 s VAL 170 Cb -0.21 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 34.14 1sh3 s VAL 170 CO 0.20 -0.26 1.83 0.29 -0.31 0.00 0.00 175.10 176.85 1sh3 n LYS 171 N -0.55 2.45 0.30 4.82 5.02 -1.26 -1.82 118.16 127.11 1sh3 n LYS 171 Ca -0.05 0.89 0.07 0.00 -2.02 0.00 0.00 58.31 57.21 1sh3 n LYS 171 Cb 0.64 -2.76 0.40 0.00 -0.02 0.00 0.00 35.03 33.29 1sh3 n LYS 171 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1sh3 h THR 172 N 4.96 0.00 0.02 -0.18 1.35 -1.90 1.14 112.91 118.31 1sh3 h THR 172 Ca -0.48 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1sh3 h THR 172 Cb 1.25 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 1sh3 h THR 172 CO 0.94 0.00 -0.19 -0.78 -0.25 0.00 0.00 175.52 175.24 1sh3 h ASP 173 N 0.00 -0.54 0.00 5.36 1.82 -1.93 -1.38 116.42 119.75 1sh3 h ASP 173 Ca 0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1sh3 h ASP 173 Cb 1.21 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1sh3 h ASP 173 CO 0.00 -0.25 0.00 0.29 -1.61 0.00 0.00 179.24 177.67 1sh3 n LYS 174 N -5.32 0.36 0.00 0.28 4.76 0.39 0.12 118.16 118.76 1sh3 n LYS 174 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1sh3 n LYS 174 Cb 0.23 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1sh3 n LYS 174 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1sh3 n ILE 175 N -0.67 0.00 1.00 -0.18 5.41 -1.10 -3.04 119.36 120.79 1sh3 n ILE 175 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.88 1sh3 n ILE 175 Cb 0.01 -1.22 -0.08 0.00 -0.71 0.00 0.00 39.64 37.64 1sh3 n ILE 175 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sh3 n TYR 176 N -2.85 0.00 0.00 1.39 4.01 -0.54 -4.80 117.16 114.37 1sh3 n TYR 176 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1sh3 n TYR 176 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1sh3 n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh3 n GLY 177 N 1.48 0.87 3.61 2.72 0.00 0.12 -5.02 105.19 108.97 1sh3 n GLY 177 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1sh3 n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh3 s LYS 178 N 2.98 4.05 0.14 1.61 2.47 -1.14 -4.94 119.74 124.91 1sh3 s LYS 178 Ca 0.00 0.29 -0.30 0.00 -1.56 0.00 0.00 55.97 54.40 1sh3 s LYS 178 Cb 0.00 -3.66 -0.07 0.00 -1.46 0.00 0.00 37.83 32.64 1sh3 s LYS 178 CO 0.00 -0.36 1.25 0.42 0.16 0.00 0.00 175.35 176.82 1sh3 s ILE 179 N 2.30 3.60 0.01 5.43 1.09 -1.26 -4.05 121.20 128.32 1sh3 s ILE 179 Ca 0.21 1.24 0.00 0.00 -1.10 0.00 0.00 60.65 61.00 1sh3 s ILE 179 Cb -0.16 -3.79 -0.01 0.00 -1.06 0.00 0.00 42.46 37.44 1sh3 s ILE 179 CO 0.09 0.15 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.52 1sh3 s LYS 180 N 0.42 0.20 -0.11 2.79 1.02 -1.17 -5.03 119.74 117.85 1sh3 s LYS 180 Ca 0.57 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 1sh3 s LYS 180 Cb -0.33 0.00 0.06 0.00 -0.52 0.00 0.00 37.83 37.04 1sh3 s LYS 180 CO 0.33 -0.01 0.24 0.21 -0.92 0.00 0.00 175.35 175.20 1sh3 s LYS 181 N -0.75 0.15 0.25 1.68 2.20 -1.26 -4.68 119.74 117.33 1sh3 s LYS 181 Ca -0.08 0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 55.88 1sh3 s LYS 181 Cb -0.05 -0.09 -0.12 0.00 -1.51 0.00 0.00 37.83 36.06 1sh3 s LYS 181 CO -0.00 -0.25 1.65 -2.13 -0.36 0.00 0.00 175.35 174.25 1sh3 n ARG 182 N 4.99 2.71 -3.14 4.03 3.00 -1.26 -4.76 116.66 122.22 1sh3 n ARG 182 Ca -0.12 0.97 -0.40 0.00 -0.00 0.00 0.00 57.85 58.30 1sh3 n ARG 182 Cb 0.51 -2.78 -0.06 0.00 0.00 0.00 0.00 32.46 30.13 1sh3 n ARG 182 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1sh3 s LEU 183 N 0.27 4.21 -0.13 6.15 2.96 -1.26 -0.29 118.68 130.59 1sh3 s LEU 183 Ca 0.69 0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 55.47 1sh3 s LEU 183 Cb -0.51 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1sh3 s LEU 183 CO 0.41 -0.18 0.03 -0.76 -1.32 0.00 0.00 176.35 174.53 1sh3 s LEU 184 N 1.38 3.67 -0.63 -0.68 1.43 0.18 -4.70 118.68 119.32 1sh3 s LEU 184 Ca 0.30 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1sh3 s LEU 184 Cb -0.16 -1.88 0.16 0.00 0.03 0.00 0.00 46.19 44.34 1sh3 s LEU 184 CO 0.12 0.28 0.57 0.26 0.23 0.00 0.00 176.35 177.81 1sh3 s TRP 185 N -0.25 3.45 -0.32 0.29 0.52 0.71 -0.14 118.94 123.18 1sh3 s TRP 185 Ca 0.07 -1.64 -0.29 0.00 0.02 0.00 0.00 56.10 54.26 1sh3 s TRP 185 Cb -0.12 -3.75 -0.00 0.00 -1.15 0.00 0.00 33.47 28.44 1sh3 s TRP 185 CO 0.02 -1.00 1.43 0.20 0.02 0.00 0.00 176.95 177.61 1sh3 s GLY 186 N 2.92 1.22 0.64 0.98 0.00 0.25 -3.46 107.32 109.88 1sh3 s GLY 186 Ca 0.09 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 1sh3 s GLY 186 CO -0.02 2.77 1.13 -0.45 0.00 0.00 0.00 173.10 176.53 1sh3 s SER 187 N 3.64 5.09 0.40 1.64 0.15 -1.26 0.98 113.70 124.33 1sh3 s SER 187 Ca 0.62 2.11 -0.13 0.00 0.70 0.00 0.00 55.95 59.25 1sh3 s SER 187 Cb -0.17 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 1sh3 s SER 187 CO 0.28 -1.65 0.79 1.51 1.20 0.00 0.00 173.24 175.37 1sh3 s ASP 188 N -2.30 6.61 0.23 5.45 -4.77 -1.21 -4.01 116.67 116.67 1sh3 s ASP 188 Ca 0.70 1.23 -0.07 0.00 -3.30 0.00 0.00 52.55 51.11 1sh3 s ASP 188 Cb -0.23 -2.36 0.26 0.00 -1.09 0.00 0.00 42.92 39.50 1sh3 s ASP 188 CO 0.39 -0.37 1.87 0.25 0.70 0.00 0.00 175.17 178.01 1sh3 h LEU 189 N 1.48 0.88 -0.45 2.11 5.85 -1.15 0.19 115.31 124.23 1sh3 h LEU 189 Ca -0.47 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1sh3 h LEU 189 Cb 1.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1sh3 h LEU 189 CO 0.64 0.60 0.19 0.00 -0.34 0.00 0.00 178.44 179.53 1sh3 h ALA 190 N 1.36 0.58 -0.58 1.25 0.00 -1.86 0.14 119.26 120.14 1sh3 h ALA 190 Ca 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1sh3 h ALA 190 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1sh3 h ALA 190 CO -0.13 0.17 0.18 1.15 0.00 0.00 0.00 179.25 180.62 1sh3 h THR 191 N 0.58 1.24 -0.24 0.00 2.02 -1.84 -1.50 112.91 113.17 1sh3 h THR 191 Ca 0.15 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.57 1sh3 h THR 191 Cb 0.17 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1sh3 h THR 191 CO -0.01 0.31 -0.29 0.24 0.37 0.00 0.00 175.52 176.14 1sh3 h MET 192 N 0.83 -0.29 0.00 6.66 2.07 0.20 0.47 114.93 124.86 1sh3 h MET 192 Ca 0.19 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 1sh3 h MET 192 Cb 0.29 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1sh3 h MET 192 CO -0.01 -0.19 0.00 -0.84 1.07 0.00 0.00 176.91 176.94 1sh3 h ILE 193 N -0.30 0.00 0.13 -1.22 -0.00 -0.61 -2.82 117.51 112.70 1sh3 h ILE 193 Ca 0.13 -0.55 -0.17 0.00 -0.00 0.00 0.00 64.86 64.27 1sh3 h ILE 193 Cb 0.51 1.50 0.02 0.00 -0.00 0.00 0.00 36.82 38.85 1sh3 h ILE 193 CO -0.41 0.00 -0.75 0.03 -0.00 0.00 0.00 178.15 177.02 1sh3 h ARG 194 N 0.00 0.28 0.00 0.16 3.08 -0.67 -2.69 114.38 114.54 1sh3 h ARG 194 Ca 0.00 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1sh3 h ARG 194 Cb 0.72 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1sh3 h ARG 194 CO 0.00 1.23 -0.09 0.00 -1.07 0.00 0.00 179.97 180.04 1sh3 h ALA 196 N 1.91 -0.13 0.00 0.00 0.00 -1.56 -1.12 119.26 118.36 1sh3 h ALA 196 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sh3 h ALA 196 Cb 0.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sh3 h ALA 196 CO 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 1sh3 h ARG 197 N -0.91 0.00 0.02 0.00 3.08 -1.31 0.19 114.38 115.46 1sh3 h ARG 197 Ca -0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1sh3 h ARG 197 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.61 1sh3 h ARG 197 CO 0.02 0.05 -0.66 0.00 -1.07 0.00 0.00 179.97 178.31 1sh3 h ALA 198 N 1.95 0.05 0.00 0.04 0.00 -1.04 -3.42 119.26 116.84 1sh3 h ALA 198 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1sh3 h ALA 198 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sh3 h ALA 198 CO 0.01 0.37 -0.13 1.19 0.00 0.00 0.00 179.25 180.69 1sh3 n PHE 199 N -4.18 0.00 -0.29 0.00 3.72 -0.42 -4.34 117.46 111.94 1sh3 n PHE 199 Ca -0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.39 1sh3 n PHE 199 Cb 0.71 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.50 1sh3 n PHE 199 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1sh3 h GLY 200 N 0.00 1.35 0.33 1.37 0.00 -0.72 0.55 103.07 105.96 1sh3 h GLY 200 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1sh3 h GLY 200 CO 0.00 -0.19 -0.45 -1.33 0.00 0.00 0.00 176.54 174.57 1sh3 h GLY 201 N 0.42 -1.19 0.53 4.60 0.00 -1.76 -1.74 103.07 103.92 1sh3 h GLY 201 Ca 0.49 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.50 1sh3 h GLY 201 CO -0.48 -0.34 0.48 -2.00 0.00 0.00 0.00 176.54 174.20 1sh3 h LEU 202 N -0.81 0.70 -0.41 3.11 5.85 -1.45 -2.02 115.31 120.27 1sh3 h LEU 202 Ca -0.04 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1sh3 h LEU 202 Cb 0.74 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1sh3 h LEU 202 CO -0.12 0.40 0.14 0.24 -0.34 0.00 0.00 178.44 178.76 1sh3 h MET 203 N 0.81 0.29 -0.17 1.25 2.86 0.28 0.77 114.93 121.02 1sh3 h MET 203 Ca 0.40 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1sh3 h MET 203 Cb 0.36 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1sh3 h MET 203 CO -0.24 0.19 0.11 -0.44 1.06 0.00 0.00 176.91 177.59 1sh3 h ASP 204 N 0.30 0.20 -0.70 1.22 3.32 -0.69 -2.07 116.42 117.99 1sh3 h ASP 204 Ca 0.19 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1sh3 h ASP 204 Cb 0.18 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1sh3 h ASP 204 CO -0.20 0.16 0.47 -0.08 -1.72 0.00 0.00 179.24 177.86 1sh3 h GLU 205 N 0.22 0.87 -0.39 3.56 4.57 -0.69 -1.80 114.58 120.91 1sh3 h GLU 205 Ca 0.06 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 1sh3 h GLU 205 Cb -0.01 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1sh3 h GLU 205 CO -0.01 0.58 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.15 1sh3 h LEU 206 N 0.90 0.82 -0.80 1.64 3.38 -0.57 -3.15 115.31 117.53 1sh3 h LEU 206 Ca 0.27 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1sh3 h LEU 206 Cb -0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1sh3 h LEU 206 CO -0.07 1.03 0.47 0.11 0.09 0.00 0.00 178.44 180.07 1sh3 h LYS 207 N 0.61 0.81 -0.81 1.13 1.57 -0.63 -0.66 116.57 118.58 1sh3 h LYS 207 Ca 0.09 -0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.01 1sh3 h LYS 207 Cb 0.72 -0.18 -0.15 0.00 0.08 0.00 0.00 32.23 32.70 1sh3 h LYS 207 CO 0.05 0.53 -0.04 1.15 -0.57 0.00 0.00 179.45 180.58 1sh3 h THR 208 N 0.83 0.25 -1.03 -0.16 2.02 -1.41 -2.39 112.91 111.01 1sh3 h THR 208 Ca 0.36 -0.02 -0.66 0.00 0.77 0.00 0.00 66.41 66.86 1sh3 h THR 208 Cb 0.24 0.18 -0.32 0.00 -1.74 0.00 0.00 68.15 66.52 1sh3 h THR 208 CO -0.20 0.01 0.54 1.41 0.37 0.00 0.00 175.52 177.65 1sh3 n HIS 209 N -5.41 3.13 0.27 3.16 8.25 -0.27 -4.50 115.22 119.85 1sh3 n HIS 209 Ca 0.15 -2.84 0.16 0.00 -0.26 0.00 0.00 57.72 54.93 1sh3 n HIS 209 Cb 0.51 -1.20 0.67 0.00 1.12 0.00 0.00 29.99 31.08 1sh3 n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sh3 h VAL 211 N 0.00 1.36 0.10 0.00 2.07 -1.85 -3.37 116.25 114.56 1sh3 h VAL 211 Ca -0.00 -2.60 -0.22 0.00 0.82 0.00 0.00 66.70 64.70 1sh3 h VAL 211 Cb 0.52 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1sh3 h VAL 211 CO 0.01 0.78 -1.07 0.74 0.02 0.00 0.00 177.57 178.05 1sh3 h THR 212 N 0.22 1.25 -3.37 2.57 2.02 -1.87 -3.48 112.91 110.25 1sh3 h THR 212 Ca -0.16 -2.42 -0.53 0.00 0.77 0.00 0.00 66.41 64.07 1sh3 h THR 212 Cb 1.87 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 71.15 1sh3 h THR 212 CO 0.22 0.66 -0.12 -0.76 0.37 0.00 0.00 175.52 175.89 1sh3 s LEU 213 N -7.75 4.12 0.27 2.58 1.43 -0.08 -4.99 118.68 114.26 1sh3 s LEU 213 Ca -0.19 0.85 0.23 0.00 -1.03 0.00 0.00 54.13 54.00 1sh3 s LEU 213 Cb 0.03 -3.64 1.02 0.00 0.03 0.00 0.00 46.19 43.63 1sh3 s LEU 213 CO 0.76 -0.13 1.71 -0.81 0.23 0.00 0.00 176.35 178.12 1sh3 n PRO 214 N -0.45 0.19 -2.31 1.29 -0.04 -1.26 -4.37 135.00 128.05 1sh3 n PRO 214 Ca -0.00 0.46 -0.40 0.00 -0.04 0.00 0.00 63.50 63.52 1sh3 n PRO 214 Cb 0.53 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 1sh3 n PRO 214 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sh3 s ILE 215 N -3.36 3.55 -1.48 0.52 1.01 -1.26 0.01 121.20 120.20 1sh3 s ILE 215 Ca 0.03 0.27 0.11 0.00 0.00 0.00 0.00 60.65 61.06 1sh3 s ILE 215 Cb 0.09 -4.46 0.40 0.00 0.01 0.00 0.00 42.46 38.49 1sh3 s ILE 215 CO 0.36 -1.42 1.26 0.54 0.00 0.00 0.00 174.94 175.69 1sh3 n ARG 216 N 9.27 2.41 -1.99 2.79 5.12 0.64 -4.41 116.66 130.49 1sh3 n ARG 216 Ca 0.12 -1.58 -0.41 0.00 -1.93 0.00 0.00 57.85 54.05 1sh3 n ARG 216 Cb 0.50 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.24 1sh3 n ARG 216 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sh3 s VAL 217 N -1.65 2.58 0.00 1.55 1.01 -1.26 -2.19 120.40 120.45 1sh3 s VAL 217 Ca 0.29 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1sh3 s VAL 217 Cb 0.18 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1sh3 s VAL 217 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1sh3 n GLY 218 N 1.97 0.58 3.86 4.51 0.00 -1.26 -4.59 105.19 110.26 1sh3 n GLY 218 Ca 0.06 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1sh3 n GLY 218 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sh3 s MET 219 N -0.69 3.34 -0.22 1.61 0.00 -0.93 -4.64 119.30 117.77 1sh3 s MET 219 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 55.69 56.43 1sh3 s MET 219 Cb 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 34.83 32.80 1sh3 s MET 219 CO 0.00 -0.76 -0.10 1.21 0.00 0.00 0.00 175.02 175.37 1sh3 s ASN 220 N -4.12 3.98 0.40 -1.18 3.84 -1.26 -3.37 114.94 113.24 1sh3 s ASN 220 Ca 0.56 -0.72 0.07 0.00 0.21 0.00 0.00 52.86 52.98 1sh3 s ASN 220 Cb -0.12 -1.62 0.84 0.00 -0.55 0.00 0.00 41.25 39.80 1sh3 s ASN 220 CO 0.54 -0.07 2.04 -0.03 -2.79 0.00 0.00 177.10 176.79 1sh3 h MET 221 N 8.00 0.57 0.03 0.43 1.85 -1.91 0.81 114.93 124.72 1sh3 h MET 221 Ca -0.38 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 58.68 1sh3 h MET 221 Cb 1.13 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.03 1sh3 h MET 221 CO 0.59 0.38 -0.02 -0.91 -0.40 0.00 0.00 176.91 176.56 1sh3 h ASN 222 N 0.59 -0.04 0.04 1.39 -0.26 -1.94 -2.63 115.58 112.72 1sh3 h ASN 222 Ca 0.18 -0.66 -0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1sh3 h ASN 222 Cb 0.01 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1sh3 h ASN 222 CO -0.04 0.69 -0.02 -0.08 -1.06 0.00 0.00 177.43 176.92 1sh3 h GLU 223 N -0.82 -0.05 -0.01 0.81 4.81 -1.92 -3.38 114.58 114.03 1sh3 h GLU 223 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sh3 h GLU 223 Cb 0.69 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1sh3 h GLU 223 CO 0.01 0.47 -0.37 -0.25 -0.73 0.00 0.00 179.01 178.14 1sh3 n ASP 224 N -4.74 0.94 0.12 1.04 8.00 0.27 -4.34 116.55 117.84 1sh3 n ASP 224 Ca -0.06 -0.76 -0.12 0.00 0.71 0.00 0.00 54.79 54.56 1sh3 n ASP 224 Cb 0.26 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1sh3 n ASP 224 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sh3 h GLY 225 N 4.94 -1.17 0.61 0.44 0.00 -0.97 -2.74 103.07 104.18 1sh3 h GLY 225 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1sh3 h GLY 225 CO 0.00 -0.33 0.10 -2.55 0.00 0.00 0.00 176.54 173.76 1sh3 h PRO 226 N -0.61 0.23 -0.89 4.80 0.11 -1.76 -2.41 132.00 131.47 1sh3 h PRO 226 Ca -0.02 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1sh3 h PRO 226 Cb 0.58 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 1sh3 h PRO 226 CO -0.17 0.15 0.57 0.82 -0.21 0.00 0.00 178.00 179.16 1sh3 h ILE 227 N 0.23 0.90 0.17 4.15 1.08 -1.78 -1.23 117.51 121.04 1sh3 h ILE 227 Ca 0.17 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1sh3 h ILE 227 Cb 0.18 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1sh3 h ILE 227 CO -0.21 0.14 -0.08 0.40 -0.69 0.00 0.00 178.15 177.71 1sh3 h ILE 228 N 0.79 0.00 -0.43 -0.67 2.04 -1.17 -2.94 117.51 115.14 1sh3 h ILE 228 Ca 0.43 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 66.13 1sh3 h ILE 228 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1sh3 h ILE 228 CO -0.19 0.00 0.29 -0.26 0.00 0.00 0.00 178.15 177.99 1sh3 h PHE 229 N -0.45 0.33 0.08 1.37 0.04 -1.38 0.24 116.94 117.17 1sh3 h PHE 229 Ca -0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1sh3 h PHE 229 Cb 0.18 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1sh3 h PHE 229 CO 0.06 0.18 -0.05 1.49 -0.60 0.00 0.00 178.31 179.39 1sh3 h GLU 230 N 0.33 -0.12 -0.60 1.51 4.22 -1.35 0.13 114.58 118.70 1sh3 h GLU 230 Ca 0.19 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.73 1sh3 h GLU 230 Cb 0.32 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1sh3 h GLU 230 CO -0.04 -0.08 0.40 -0.09 -2.18 0.00 0.00 179.01 177.02 1sh3 h ARG 231 N -0.12 0.39 -0.10 1.92 9.65 -0.40 -2.15 114.38 123.57 1sh3 h ARG 231 Ca -0.01 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1sh3 h ARG 231 Cb 0.10 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1sh3 h ARG 231 CO 0.01 0.26 -0.01 0.45 2.80 0.00 0.00 179.97 183.48 1sh3 h HIS 232 N 0.40 0.19 0.00 2.20 3.86 -0.34 -3.23 115.15 118.24 1sh3 h HIS 232 Ca 0.28 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1sh3 h HIS 232 Cb 0.56 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1sh3 h HIS 232 CO -0.00 0.44 0.00 0.66 0.86 0.00 0.00 177.93 179.89 1sh3 h SER 233 N -0.11 0.00 0.39 2.45 4.64 -0.31 -2.22 113.55 118.39 1sh3 h SER 233 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sh3 h SER 233 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1sh3 h SER 233 CO 0.01 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.83 1sh3 n ARG 234 N -2.65 0.13 -4.26 4.77 3.00 -1.19 -4.62 116.66 111.83 1sh3 n ARG 234 Ca -0.02 0.18 -0.31 0.00 -0.00 0.00 0.00 57.85 57.71 1sh3 n ARG 234 Cb 0.08 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 30.95 1sh3 n ARG 234 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1sh3 s TYR 235 N -2.76 2.90 -1.19 -0.14 1.51 -0.84 -5.04 117.35 111.80 1sh3 s TYR 235 Ca 0.12 -0.05 0.25 0.00 -1.01 0.00 0.00 57.07 56.37 1sh3 s TYR 235 Cb 0.10 -1.54 0.46 0.00 -0.11 0.00 0.00 41.96 40.87 1sh3 s TYR 235 CO 0.25 0.43 1.38 0.54 -1.11 0.00 0.00 175.55 177.05 1sh3 n ARG 236 N 0.96 0.21 -4.58 -0.62 1.74 -1.19 -4.81 116.66 108.37 1sh3 n ARG 236 Ca -0.13 -0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 56.59 1sh3 n ARG 236 Cb 0.52 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 1sh3 n ARG 236 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sh3 s TYR 237 N -2.88 1.30 0.10 -1.55 2.02 -0.56 -4.36 117.35 111.43 1sh3 s TYR 237 Ca 0.14 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1sh3 s TYR 237 Cb 0.18 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1sh3 s TYR 237 CO 0.68 -0.15 0.08 -1.01 -1.57 0.00 0.00 175.55 173.57 1sh3 s HIS 238 N 0.23 0.56 0.06 2.71 3.76 -0.93 0.74 115.29 122.43 1sh3 s HIS 238 Ca -0.05 -1.00 -0.16 0.00 -0.15 0.00 0.00 55.06 53.70 1sh3 s HIS 238 Cb -0.11 -0.32 0.03 0.00 1.11 0.00 0.00 32.58 33.29 1sh3 s HIS 238 CO 0.02 -0.51 0.37 1.52 -0.85 0.00 0.00 174.74 175.29 1sh3 s TYR 239 N -3.96 -0.19 -0.22 1.40 -0.85 -0.51 -1.31 117.35 111.72 1sh3 s TYR 239 Ca 0.14 0.05 -0.16 0.00 -0.52 0.00 0.00 57.07 56.58 1sh3 s TYR 239 Cb 0.07 0.18 -0.11 0.00 0.38 0.00 0.00 41.96 42.47 1sh3 s TYR 239 CO -0.05 -0.58 -0.16 -3.47 -1.52 0.00 0.00 175.55 169.77 1sh3 n ASP 240 N 0.36 1.90 0.00 -0.18 -0.08 -1.26 -2.44 116.55 114.84 1sh3 n ASP 240 Ca -0.18 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1sh3 n ASP 240 Cb 0.61 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1sh3 n ASP 240 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sh3 n ALA 241 N -3.95 0.00 -0.01 -1.67 0.00 -1.26 -4.72 120.51 108.90 1sh3 n ALA 241 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1sh3 n ALA 241 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1sh3 n ALA 241 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sh3 n ASP 242 N 0.15 0.00 -4.76 0.00 5.75 -1.26 -1.39 116.55 115.03 1sh3 n ASP 242 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 1sh3 n ASP 242 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1sh3 n ASP 242 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1sh3 s TYR 243 N 0.00 3.67 0.31 2.11 1.51 -1.26 -3.05 117.35 120.64 1sh3 s TYR 243 Ca 0.00 1.76 -0.20 0.00 -1.01 0.00 0.00 57.07 57.62 1sh3 s TYR 243 Cb 0.00 -3.15 -0.09 0.00 -0.11 0.00 0.00 41.96 38.60 1sh3 s TYR 243 CO 0.00 -0.22 0.82 0.45 -1.11 0.00 0.00 175.55 175.50 1sh3 s SER 244 N -1.10 7.02 -1.02 2.29 0.15 0.17 -4.39 113.70 116.82 1sh3 s SER 244 Ca 0.45 1.53 -0.16 0.00 0.70 0.00 0.00 55.95 58.47 1sh3 s SER 244 Cb -0.28 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 1sh3 s SER 244 CO 0.36 -0.13 0.31 0.54 1.20 0.00 0.00 173.24 175.51 1sh3 n ARG 245 N 0.13 -0.62 -0.24 5.44 1.74 -1.26 -4.39 116.66 117.45 1sh3 n ARG 245 Ca 0.02 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.01 1sh3 n ARG 245 Cb 0.52 -2.03 0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1sh3 n ARG 245 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1sh3 h TRP 246 N -1.19 0.92 -0.71 -1.55 2.91 -1.95 -3.08 115.95 111.30 1sh3 h TRP 246 Ca -0.52 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.47 1sh3 h TRP 246 Cb 1.06 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1sh3 h TRP 246 CO 0.32 0.64 0.39 -0.44 -1.03 0.00 0.00 178.44 178.32 1sh3 h ASP 247 N 0.93 0.89 1.08 2.65 5.19 -1.89 -2.67 116.42 122.60 1sh3 h ASP 247 Ca 0.24 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1sh3 h ASP 247 Cb 0.01 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 1sh3 h ASP 247 CO -0.04 0.74 -0.02 0.77 -3.12 0.00 0.00 179.24 177.56 1sh3 h SER 248 N 0.98 0.00 0.11 6.45 4.64 -1.79 -2.21 113.55 121.74 1sh3 h SER 248 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1sh3 h SER 248 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1sh3 h SER 248 CO -0.04 0.02 -0.20 0.35 -0.87 0.00 0.00 176.83 176.09 1sh3 n THR 249 N -3.13 0.00 -2.37 2.95 -2.24 -1.01 -4.51 114.28 103.98 1sh3 n THR 249 Ca 0.01 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 1sh3 n THR 249 Cb 0.33 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1sh3 n THR 249 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sh3 s GLN 250 N -2.33 3.57 -0.16 -0.78 -1.52 -1.20 -4.62 119.66 112.62 1sh3 s GLN 250 Ca 0.27 1.54 -0.06 0.00 -1.95 0.00 0.00 55.36 55.16 1sh3 s GLN 250 Cb 0.20 -2.09 -0.04 0.00 -0.22 0.00 0.00 33.01 30.86 1sh3 s GLN 250 CO 0.46 -0.66 0.03 -0.65 -0.25 0.00 0.00 175.29 174.23 1sh3 s GLN 251 N -3.19 3.77 0.53 2.91 -0.21 -1.26 -2.82 119.66 119.40 1sh3 s GLN 251 Ca 0.70 -0.38 0.25 0.00 0.02 0.00 0.00 55.36 55.95 1sh3 s GLN 251 Cb -0.22 -3.09 1.50 0.00 1.00 0.00 0.00 33.01 32.20 1sh3 s GLN 251 CO 0.25 0.34 2.13 0.00 -2.12 0.00 0.00 175.29 175.89 1sh3 h ARG 252 N 6.43 0.00 0.19 2.91 2.47 -1.90 0.11 114.38 124.60 1sh3 h ARG 252 Ca -0.38 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1sh3 h ARG 252 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.48 1sh3 h ARG 252 CO 0.66 0.08 -0.28 0.00 0.56 0.00 0.00 179.97 181.00 1sh3 h ALA 253 N 1.92 -0.90 -0.71 0.04 0.00 -1.97 0.35 119.26 117.98 1sh3 h ALA 253 Ca -0.00 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1sh3 h ALA 253 Cb 0.19 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1sh3 h ALA 253 CO 0.01 -0.94 0.40 0.28 0.00 0.00 0.00 179.25 179.00 1sh3 h VAL 254 N -0.49 0.95 -0.77 0.00 2.07 -1.76 -1.85 116.25 114.41 1sh3 h VAL 254 Ca -0.02 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1sh3 h VAL 254 Cb 0.44 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1sh3 h VAL 254 CO -0.08 0.13 0.50 -0.07 0.02 0.00 0.00 177.57 178.07 1sh3 h LEU 255 N 0.71 0.72 -0.83 2.57 3.38 -0.64 -0.89 115.31 120.33 1sh3 h LEU 255 Ca 0.33 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1sh3 h LEU 255 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1sh3 h LEU 255 CO -0.20 0.46 0.54 0.00 0.09 0.00 0.00 178.44 179.33 1sh3 h ALA 256 N 1.58 1.08 -0.54 1.53 0.00 0.56 -1.35 119.26 122.12 1sh3 h ALA 256 Ca 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1sh3 h ALA 256 Cb 0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sh3 h ALA 256 CO -0.11 0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1sh3 h ALA 257 N 1.33 1.39 0.58 0.00 0.00 -1.01 0.55 119.26 122.10 1sh3 h ALA 257 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1sh3 h ALA 257 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sh3 h ALA 257 CO -0.10 0.47 -0.28 0.00 0.00 0.00 0.00 179.25 179.34 1sh3 h ALA 258 N 1.49 -0.78 -0.59 0.00 0.00 -0.95 -2.70 119.26 115.73 1sh3 h ALA 258 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sh3 h ALA 258 Cb 0.12 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sh3 h ALA 258 CO -0.02 -0.86 0.25 -0.07 0.00 0.00 0.00 179.25 178.55 1sh3 h LEU 259 N -0.93 0.78 -0.57 0.00 3.38 -0.84 -1.08 115.31 116.04 1sh3 h LEU 259 Ca -0.08 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.91 1sh3 h LEU 259 Cb 0.65 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1sh3 h LEU 259 CO 0.13 0.69 0.05 -0.33 0.09 0.00 0.00 178.44 179.07 1sh3 h GLU 260 N 0.84 0.16 0.46 1.13 5.08 0.06 0.17 114.58 122.48 1sh3 h GLU 260 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1sh3 h GLU 260 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1sh3 h GLU 260 CO -0.02 0.11 -0.26 0.82 -1.00 0.00 0.00 179.01 178.66 1sh3 h ILE 261 N 0.17 0.47 -0.54 3.13 2.04 -0.88 -1.39 117.51 120.51 1sh3 h ILE 261 Ca 0.30 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.25 1sh3 h ILE 261 Cb 0.46 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 1sh3 h ILE 261 CO -0.45 0.00 -0.33 0.24 0.00 0.00 0.00 178.15 177.61 1sh3 h MET 262 N -0.67 -0.18 -0.94 2.37 2.86 -0.78 0.23 114.93 117.82 1sh3 h MET 262 Ca -0.06 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1sh3 h MET 262 Cb 0.53 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.14 1sh3 h MET 262 CO 0.07 -0.12 0.55 0.28 1.06 0.00 0.00 176.91 178.75 1sh3 h VAL 263 N -0.19 0.78 -0.92 -2.22 2.07 -0.55 -1.69 116.25 113.53 1sh3 h VAL 263 Ca 0.21 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1sh3 h VAL 263 Cb 0.55 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1sh3 h VAL 263 CO -0.64 0.14 0.57 0.50 0.02 0.00 0.00 177.57 178.16 1sh3 h LYS 264 N 0.77 0.95 -1.50 1.57 1.63 0.61 -2.92 116.57 117.67 1sh3 h LYS 264 Ca 0.51 -0.06 -0.66 0.00 -0.85 0.00 0.00 60.65 59.59 1sh3 h LYS 264 Cb 0.68 -0.21 -0.35 0.00 -0.60 0.00 0.00 32.23 31.75 1sh3 h LYS 264 CO -0.34 0.63 0.09 1.19 -3.45 0.00 0.00 179.45 177.57 1sh3 n PHE 265 N -4.63 3.15 -4.10 1.91 3.72 -0.66 -4.96 117.46 111.90 1sh3 n PHE 265 Ca 0.15 -2.70 -0.22 0.00 -0.05 0.00 0.00 57.45 54.63 1sh3 n PHE 265 Cb 0.25 -0.68 -0.05 0.00 -0.94 0.00 0.00 39.48 38.06 1sh3 n PHE 265 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1sh3 s SER 266 N -2.47 5.41 0.13 4.37 1.04 -1.07 -4.61 113.70 116.49 1sh3 s SER 266 Ca 0.52 -0.31 -0.23 0.00 0.48 0.00 0.00 55.95 56.41 1sh3 s SER 266 Cb 0.43 -1.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1sh3 s SER 266 CO -0.21 -0.07 1.66 0.28 0.98 0.00 0.00 173.24 175.88 1sh3 h SER 267 N 1.50 -0.54 -3.87 7.02 0.02 -1.79 -3.35 113.55 112.54 1sh3 h SER 267 Ca -0.48 0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 59.93 1sh3 h SER 267 Cb 1.24 0.25 -0.40 0.00 0.14 0.00 0.00 62.40 63.63 1sh3 h SER 267 CO 0.60 -0.23 -0.69 -1.61 -1.14 0.00 0.00 176.83 173.77 1sh3 s GLU 268 N -6.13 1.55 0.17 3.45 8.01 -1.26 -4.95 118.70 119.54 1sh3 s GLU 268 Ca -0.15 -2.13 -0.14 0.00 0.01 0.00 0.00 54.97 52.57 1sh3 s GLU 268 Cb 0.10 -2.91 0.09 0.00 -4.31 0.00 0.00 34.13 27.10 1sh3 s GLU 268 CO 0.67 -1.07 1.79 -1.35 0.01 0.00 0.00 175.26 175.31 1sh3 h PRO 269 N 7.00 0.46 0.00 0.39 0.11 -1.80 0.12 132.00 138.28 1sh3 h PRO 269 Ca -0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1sh3 h PRO 269 Cb 0.94 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sh3 h PRO 269 CO 0.57 0.30 -0.05 1.12 -0.21 0.00 0.00 178.00 179.74 1sh3 h HIS 270 N 0.47 0.00 0.08 0.65 2.07 -1.95 -0.78 115.15 115.69 1sh3 h HIS 270 Ca 0.19 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.43 1sh3 h HIS 270 Cb 0.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.05 1sh3 h HIS 270 CO -0.09 0.05 -1.54 -0.07 -3.07 0.00 0.00 177.93 173.21 1sh3 h LEU 271 N 0.00 0.26 -1.92 6.12 3.38 -1.61 -3.36 115.31 118.19 1sh3 h LEU 271 Ca -0.00 -0.77 0.02 0.00 0.09 0.00 0.00 57.88 57.21 1sh3 h LEU 271 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sh3 h LEU 271 CO 0.01 1.65 0.09 0.00 0.09 0.00 0.00 178.44 180.28 1sh3 h ALA 272 N -0.16 1.99 -0.29 1.53 0.00 -0.60 -2.59 119.26 119.14 1sh3 h ALA 272 Ca -0.36 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1sh3 h ALA 272 Cb 1.69 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 1sh3 h ALA 272 CO -0.02 -0.01 -0.43 0.37 0.00 0.00 0.00 179.25 179.16 1sh3 h GLN 273 N 0.11 -0.38 -0.31 0.00 5.75 -1.28 -1.30 115.11 117.69 1sh3 h GLN 273 Ca 0.05 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 1sh3 h GLN 273 Cb 0.09 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 1sh3 h GLN 273 CO -0.01 -0.25 -0.16 0.28 -2.65 0.00 0.00 178.83 176.04 1sh3 h VAL 274 N -0.40 0.52 -0.01 2.39 2.07 -1.63 -1.56 116.25 117.64 1sh3 h VAL 274 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1sh3 h VAL 274 Cb 0.60 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1sh3 h VAL 274 CO -0.50 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.34 1sh3 h VAL 275 N -0.11 0.30 -0.89 2.57 2.07 -1.53 -2.59 116.25 116.07 1sh3 h VAL 275 Ca 0.16 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.92 1sh3 h VAL 275 Cb 0.36 0.30 -0.15 0.00 -1.52 0.00 0.00 31.29 30.28 1sh3 h VAL 275 CO -0.38 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.41 1sh3 h ALA 276 N 0.25 1.25 -0.13 1.67 0.00 -0.24 0.76 119.26 122.82 1sh3 h ALA 276 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sh3 h ALA 276 Cb 0.56 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1sh3 h ALA 276 CO -0.27 -0.49 0.03 0.93 0.00 0.00 0.00 179.25 179.44 1sh3 h GLU 277 N 0.17 0.21 -0.91 0.00 5.08 -1.08 -2.52 114.58 115.52 1sh3 h GLU 277 Ca 0.56 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.94 1sh3 h GLU 277 Cb 1.13 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1sh3 h GLU 277 CO -0.69 0.38 0.59 -0.44 -1.00 0.00 0.00 179.01 177.85 1sh3 h ASP 278 N 0.01 0.90 0.24 1.42 3.32 -0.60 0.90 116.42 122.61 1sh3 h ASP 278 Ca 0.04 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1sh3 h ASP 278 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1sh3 h ASP 278 CO 0.00 0.56 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.58 1sh3 h LEU 279 N 1.01 0.26 0.19 1.55 3.38 -1.19 -3.30 115.31 117.20 1sh3 h LEU 279 Ca 0.40 -0.11 -0.33 0.00 0.09 0.00 0.00 57.88 57.93 1sh3 h LEU 279 Cb 0.25 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sh3 h LEU 279 CO -0.16 0.66 -1.60 -0.07 0.09 0.00 0.00 178.44 177.37 1sh3 h LEU 280 N 0.20 0.62 -9.87 1.67 3.38 -0.53 -3.46 115.31 107.33 1sh3 h LEU 280 Ca 0.02 -0.92 -0.57 0.00 0.09 0.00 0.00 57.88 56.49 1sh3 h LEU 280 Cb 0.85 -0.20 0.16 0.00 0.09 0.00 0.00 40.66 41.56 1sh3 h LEU 280 CO 0.07 1.73 0.22 -1.54 0.09 0.00 0.00 178.44 179.00 1sh3 n SER 281 N -3.70 1.13 -3.70 -0.43 3.41 0.10 -4.70 113.62 105.73 1sh3 n SER 281 Ca -0.23 0.84 -0.52 0.00 -0.26 0.00 0.00 58.87 58.70 1sh3 n SER 281 Cb 1.04 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1sh3 n SER 281 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sh3 n PRO 282 N -1.05 0.00 -2.46 4.33 -0.02 -1.26 -4.83 135.00 129.71 1sh3 n PRO 282 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 1sh3 n PRO 282 Cb 0.47 -1.19 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 1sh3 n PRO 282 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sh3 s SER 283 N 1.61 7.12 -0.19 2.55 0.01 0.50 -4.90 113.70 120.40 1sh3 s SER 283 Ca 0.80 1.99 -0.26 0.00 1.31 0.00 0.00 55.95 59.79 1sh3 s SER 283 Cb -1.13 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 62.51 1sh3 s SER 283 CO 0.59 -0.43 0.86 -0.69 0.41 0.00 0.00 173.24 173.97 1sh3 s VAL 284 N 0.95 4.85 0.01 3.43 1.01 -1.26 -1.65 120.40 127.75 1sh3 s VAL 284 Ca 0.57 1.67 0.05 0.00 0.00 0.00 0.00 61.98 64.27 1sh3 s VAL 284 Cb -0.29 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1sh3 s VAL 284 CO 0.30 -0.01 -0.14 0.54 0.00 0.00 0.00 175.10 175.78 1sh3 s VAL 285 N 2.39 1.11 -0.28 2.92 0.11 -0.25 -0.95 120.40 125.45 1sh3 s VAL 285 Ca 0.38 -0.78 -0.09 0.00 -2.93 0.00 0.00 61.98 58.57 1sh3 s VAL 285 Cb -0.16 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1sh3 s VAL 285 CO 0.11 0.18 0.12 -0.62 -3.33 0.00 0.00 175.10 171.55 1sh3 s ASP 286 N -0.69 5.41 -0.41 3.54 -1.08 0.22 -0.32 116.67 123.34 1sh3 s ASP 286 Ca 0.04 -0.31 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 1sh3 s ASP 286 Cb -0.06 -1.98 0.48 0.00 -1.46 0.00 0.00 42.92 39.89 1sh3 s ASP 286 CO 0.00 -0.10 1.54 1.33 0.52 0.00 0.00 175.17 178.46 1sh3 n VAL 287 N 4.96 2.89 0.00 1.11 0.24 -0.08 -0.45 118.33 127.00 1sh3 n VAL 287 Ca -0.15 -3.38 0.00 0.00 -2.04 0.00 0.00 64.34 58.77 1sh3 n VAL 287 Cb 0.51 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1sh3 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sh3 n GLY 288 N -0.90 0.54 0.00 7.63 0.00 -1.26 -4.19 105.19 107.00 1sh3 n GLY 288 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1sh3 n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sh3 n ASP 289 N 1.30 0.00 -4.42 1.61 9.92 -1.26 -3.56 116.55 120.13 1sh3 n ASP 289 Ca 0.00 0.93 -0.21 0.00 -0.53 0.00 0.00 54.79 54.98 1sh3 n ASP 289 Cb 0.00 -0.45 -0.10 0.00 -0.64 0.00 0.00 41.12 39.92 1sh3 n ASP 289 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1sh3 s PHE 290 N -2.73 1.98 -0.23 1.24 0.08 -1.26 -1.67 117.98 115.39 1sh3 s PHE 290 Ca 0.00 -0.57 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 1sh3 s PHE 290 Cb 0.00 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1sh3 s PHE 290 CO 0.00 0.42 0.37 0.99 -0.10 0.00 0.00 175.22 176.90 1sh3 s THR 291 N -2.86 5.20 0.40 0.64 2.01 -0.28 -0.91 115.64 119.84 1sh3 s THR 291 Ca 0.28 0.62 0.05 0.00 0.31 0.00 0.00 61.69 62.94 1sh3 s THR 291 Cb 0.01 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1sh3 s THR 291 CO 0.11 0.22 0.04 0.27 -0.69 0.00 0.00 174.62 174.56 1sh3 s ILE 292 N 1.62 1.47 -0.31 1.82 -4.36 0.56 0.62 121.20 122.62 1sh3 s ILE 292 Ca 0.17 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1sh3 s ILE 292 Cb -0.15 -2.73 0.09 0.00 1.25 0.00 0.00 42.46 40.92 1sh3 s ILE 292 CO 0.08 0.00 0.00 -0.55 0.24 0.00 0.00 174.94 174.72 1sh3 s SER 293 N -3.66 4.58 -0.29 4.36 0.15 -0.36 -1.09 113.70 117.39 1sh3 s SER 293 Ca 0.29 -1.86 -0.22 0.00 0.70 0.00 0.00 55.95 54.86 1sh3 s SER 293 Cb 0.07 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1sh3 s SER 293 CO 0.14 -0.32 0.72 -0.63 1.20 0.00 0.00 173.24 174.35 1sh3 s ILE 294 N 1.03 4.87 -1.15 6.45 -1.09 -0.66 -4.14 121.20 126.52 1sh3 s ILE 294 Ca 0.05 1.15 0.22 0.00 -2.23 0.00 0.00 60.65 59.84 1sh3 s ILE 294 Cb -0.19 -4.06 -0.14 0.00 -1.58 0.00 0.00 42.46 36.49 1sh3 s ILE 294 CO -0.08 -0.14 1.06 -0.46 -1.23 0.00 0.00 174.94 174.09 1sh3 n ASN 295 N 5.99 1.02 -4.00 3.58 0.23 -1.26 -0.37 115.26 120.45 1sh3 n ASN 295 Ca 0.02 -0.90 -0.26 0.00 -0.53 0.00 0.00 54.58 52.91 1sh3 n ASN 295 Cb 0.48 0.75 -0.08 0.00 -2.08 0.00 0.00 39.78 38.85 1sh3 n ASN 295 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1sh3 s GLU 296 N -2.92 1.97 0.04 -3.83 0.41 -1.26 -4.62 118.70 108.49 1sh3 s GLU 296 Ca 0.10 -2.21 0.00 0.00 -0.41 0.00 0.00 54.97 52.45 1sh3 s GLU 296 Cb 0.17 -0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.01 1sh3 s GLU 296 CO 0.79 -0.54 0.00 0.41 -0.49 0.00 0.00 175.26 175.43 1sh3 n GLY 297 N -0.93 -2.51 3.32 -1.39 0.00 -1.13 -4.90 105.19 97.65 1sh3 n GLY 297 Ca -0.05 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1sh3 n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sh3 s LEU 298 N 0.00 2.56 0.30 0.99 2.96 -0.83 -4.64 118.68 120.01 1sh3 s LEU 298 Ca 0.00 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.22 1sh3 s LEU 298 Cb 0.00 -1.57 -0.11 0.00 0.50 0.00 0.00 46.19 45.02 1sh3 s LEU 298 CO 0.00 0.15 1.47 -2.84 -1.32 0.00 0.00 176.35 173.80 1sh3 s PRO 299 N 0.45 4.22 -0.21 0.98 0.02 -1.26 -4.61 135.00 134.58 1sh3 s PRO 299 Ca -0.11 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.15 1sh3 s PRO 299 Cb -0.16 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1sh3 s PRO 299 CO 0.05 -0.46 0.43 -1.12 -0.33 0.00 0.00 177.00 175.57 1sh3 s SER 300 N 0.18 6.45 0.00 2.53 0.01 -1.26 -4.31 113.70 117.29 1sh3 s SER 300 Ca 0.58 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1sh3 s SER 300 Cb -0.44 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1sh3 s SER 300 CO 0.49 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1sh3 n GLY 301 N 3.99 3.16 0.00 3.44 0.00 -1.26 -0.21 105.19 114.30 1sh3 n GLY 301 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1sh3 n GLY 301 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sh3 n VAL 302 N 0.00 0.00 0.00 1.61 3.14 -1.23 -4.42 118.33 117.43 1sh3 n VAL 302 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1sh3 n VAL 302 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1sh3 n VAL 302 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sh3 n PRO 303 N 0.00 0.00 -2.75 1.45 -0.02 -1.26 -1.15 135.00 131.27 1sh3 n PRO 303 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1sh3 n PRO 303 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1sh3 n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh3 n THR 305 N -0.19 1.49 -0.09 0.00 -1.04 -0.30 -1.66 114.28 112.50 1sh3 n THR 305 Ca 0.27 0.45 -0.17 0.00 -2.04 0.00 0.00 64.05 62.55 1sh3 n THR 305 Cb 0.65 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.65 1sh3 n THR 305 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sh3 n SER 306 N -1.36 1.58 0.01 8.00 3.41 -1.26 -4.09 113.62 119.90 1sh3 n SER 306 Ca 0.00 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1sh3 n SER 306 Cb 0.07 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1sh3 n SER 306 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1sh3 h GLN 307 N -0.76 -0.03 0.06 4.33 7.50 -1.89 0.55 115.11 124.88 1sh3 h GLN 307 Ca -0.35 0.00 0.02 0.00 0.50 0.00 0.00 58.65 58.83 1sh3 h GLN 307 Cb 1.22 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.70 1sh3 h GLN 307 CO -0.21 0.36 -0.47 2.35 -1.50 0.00 0.00 178.83 179.35 1sh3 h TRP 308 N -0.42 -1.36 -0.78 2.96 2.91 -1.61 -2.42 115.95 115.22 1sh3 h TRP 308 Ca -0.00 0.04 0.17 0.00 1.13 0.00 0.00 58.89 60.23 1sh3 h TRP 308 Cb 0.40 0.59 -0.11 0.00 -0.51 0.00 0.00 29.16 29.53 1sh3 h TRP 308 CO 0.06 -0.55 0.25 -0.97 -1.03 0.00 0.00 178.44 176.20 1sh3 h ASN 309 N -0.66 0.12 -0.95 2.65 -0.73 -1.69 -1.67 115.58 112.65 1sh3 h ASN 309 Ca 0.02 0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.35 1sh3 h ASN 309 Cb 0.71 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.42 1sh3 h ASN 309 CO -0.30 -0.01 0.63 0.28 -0.37 0.00 0.00 177.43 177.66 1sh3 h SER 310 N 0.33 1.08 -0.27 1.15 0.02 -0.41 0.69 113.55 116.15 1sh3 h SER 310 Ca 0.45 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.26 1sh3 h SER 310 Cb 0.79 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1sh3 h SER 310 CO -0.51 0.78 -0.30 0.40 -1.14 0.00 0.00 176.83 176.06 1sh3 h ILE 311 N 1.28 1.31 -0.36 3.27 2.04 -0.99 0.13 117.51 124.18 1sh3 h ILE 311 Ca 0.36 -1.47 0.05 0.00 1.00 0.00 0.00 64.86 64.79 1sh3 h ILE 311 Cb -0.12 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1sh3 h ILE 311 CO -0.08 0.47 0.08 0.00 0.00 0.00 0.00 178.15 178.62 1sh3 h ALA 312 N 0.68 0.40 -0.11 1.87 0.00 -0.53 -0.94 119.26 120.63 1sh3 h ALA 312 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1sh3 h ALA 312 Cb 0.87 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1sh3 h ALA 312 CO 0.07 -0.32 -0.13 1.25 0.00 0.00 0.00 179.25 180.12 1sh3 h HIS 313 N 0.21 -0.33 -0.61 0.00 6.17 0.54 -0.92 115.15 120.21 1sh3 h HIS 313 Ca 0.17 0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.37 1sh3 h HIS 313 Cb 0.19 0.16 -0.08 0.00 2.52 0.00 0.00 27.41 30.21 1sh3 h HIS 313 CO -0.18 -0.19 0.20 2.35 0.71 0.00 0.00 177.93 180.82 1sh3 h TRP 314 N -0.17 0.35 0.31 5.26 2.91 -0.27 0.20 115.95 124.55 1sh3 h TRP 314 Ca 0.08 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 1sh3 h TRP 314 Cb 0.29 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1sh3 h TRP 314 CO -0.24 0.06 -0.15 -0.07 -1.03 0.00 0.00 178.44 177.01 1sh3 h LEU 315 N 0.37 -0.36 -1.29 0.65 3.38 -0.87 -2.02 115.31 115.17 1sh3 h LEU 315 Ca 0.31 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1sh3 h LEU 315 Cb 0.41 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1sh3 h LEU 315 CO -0.33 -0.25 0.50 -0.07 0.09 0.00 0.00 178.44 178.37 1sh3 h LEU 316 N -0.42 0.81 -0.11 1.67 3.38 0.08 0.66 115.31 121.38 1sh3 h LEU 316 Ca -0.04 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1sh3 h LEU 316 Cb 0.32 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1sh3 h LEU 316 CO 0.07 0.56 -0.59 0.74 0.09 0.00 0.00 178.44 179.31 1sh3 h THR 317 N 0.94 1.34 -0.34 0.22 2.02 -0.58 -1.45 112.91 115.06 1sh3 h THR 317 Ca 0.29 -1.88 0.02 0.00 0.77 0.00 0.00 66.41 65.61 1sh3 h THR 317 Cb 0.01 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1sh3 h THR 317 CO -0.08 0.57 0.18 -0.07 0.37 0.00 0.00 175.52 176.50 1sh3 h LEU 318 N 0.22 0.28 0.36 2.58 3.38 -1.02 -2.70 115.31 118.41 1sh3 h LEU 318 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1sh3 h LEU 318 Cb 1.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1sh3 h LEU 318 CO 0.12 0.21 -0.28 0.00 0.09 0.00 0.00 178.44 178.58 1sh3 h ALA 320 N -1.39 0.58 -0.21 0.00 0.00 -1.28 -1.23 119.26 115.73 1sh3 h ALA 320 Ca -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sh3 h ALA 320 Cb 0.51 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1sh3 h ALA 320 CO 0.01 -0.41 0.07 -0.07 0.00 0.00 0.00 179.25 178.84 1sh3 h LEU 321 N 0.07 0.30 -0.94 0.00 3.38 -1.46 -2.44 115.31 114.22 1sh3 h LEU 321 Ca 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sh3 h LEU 321 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sh3 h LEU 321 CO -0.61 0.42 0.00 -0.24 0.09 0.00 0.00 178.44 178.10 1sh3 n SER 322 N -4.79 0.45 -0.04 -0.43 2.88 -0.49 -1.67 113.62 109.52 1sh3 n SER 322 Ca -0.04 0.68 -0.10 0.00 -1.33 0.00 0.00 58.87 58.09 1sh3 n SER 322 Cb 0.15 -0.75 -0.15 0.00 -0.75 0.00 0.00 64.21 62.71 1sh3 n SER 322 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sh3 n GLU 323 N -2.07 0.65 0.00 -1.46 2.13 -0.57 -3.22 120.64 116.10 1sh3 n GLU 323 Ca -0.00 0.21 0.13 0.00 0.66 0.00 0.00 57.16 58.16 1sh3 n GLU 323 Cb 0.07 -1.71 0.32 0.00 0.27 0.00 0.00 31.44 30.39 1sh3 n GLU 323 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1sh3 n VAL 324 N -2.99 0.00 -0.03 6.31 0.24 -0.67 -4.21 118.33 116.99 1sh3 n VAL 324 Ca -0.22 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.34 61.80 1sh3 n VAL 324 Cb 1.08 0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 34.17 1sh3 n VAL 324 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sh3 n THR 325 N 0.10 0.34 -2.85 3.34 -2.24 -0.73 -4.84 114.28 107.40 1sh3 n THR 325 Ca 0.14 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1sh3 n THR 325 Cb 0.42 -0.57 0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1sh3 n THR 325 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sh3 n ASN 326 N -2.12 -5.67 -4.29 3.42 3.02 -1.20 -5.04 115.26 103.38 1sh3 n ASN 326 Ca -0.08 -0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 53.96 1sh3 n ASN 326 Cb 0.59 -4.53 -0.15 0.00 -0.61 0.00 0.00 39.78 35.07 1sh3 n ASN 326 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sh3 s LEU 327 N -5.97 2.10 0.49 3.41 1.43 -1.26 -5.09 118.68 113.79 1sh3 s LEU 327 Ca 0.23 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1sh3 s LEU 327 Cb -0.10 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 1sh3 s LEU 327 CO 0.28 0.26 1.05 -1.54 0.23 0.00 0.00 176.35 176.64 1sh3 n SER 328 N 2.21 1.37 0.26 2.29 3.41 -1.26 -4.61 113.62 117.29 1sh3 n SER 328 Ca -0.16 0.97 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 1sh3 n SER 328 Cb 0.52 -1.40 0.70 0.00 -0.26 0.00 0.00 64.21 63.77 1sh3 n SER 328 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1sh3 h PRO 329 N 1.27 0.00 -0.50 4.33 0.11 -1.91 0.44 132.00 135.74 1sh3 h PRO 329 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1sh3 h PRO 329 Cb 1.34 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.36 1sh3 h PRO 329 CO 0.55 0.12 -0.07 -0.44 -0.21 0.00 0.00 178.00 177.95 1sh3 h ASP 330 N 0.00 -0.35 -0.25 -2.05 5.19 -1.89 -0.29 116.42 116.78 1sh3 h ASP 330 Ca -0.00 0.14 -0.18 0.00 -0.62 0.00 0.00 57.03 56.36 1sh3 h ASP 330 Cb 0.28 0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 1sh3 h ASP 330 CO 0.02 -0.13 -0.54 0.40 -3.12 0.00 0.00 179.24 175.87 1sh3 h ILE 331 N 0.05 1.28 0.57 0.35 2.04 -0.55 -1.80 117.51 119.45 1sh3 h ILE 331 Ca 0.25 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1sh3 h ILE 331 Cb 0.38 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1sh3 h ILE 331 CO -0.47 0.56 -0.45 0.40 0.00 0.00 0.00 178.15 178.19 1sh3 h ILE 332 N 0.64 0.00 -1.02 -0.67 1.08 -0.78 -2.15 117.51 114.61 1sh3 h ILE 332 Ca 0.02 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.73 1sh3 h ILE 332 Cb 1.14 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.78 1sh3 h ILE 332 CO 0.12 0.00 0.63 -0.61 -0.69 0.00 0.00 178.15 177.60 1sh3 h GLN 333 N -0.98 0.49 0.00 2.37 5.75 -1.10 0.30 115.11 121.94 1sh3 h GLN 333 Ca -0.08 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1sh3 h GLN 333 Cb 0.82 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 1sh3 h GLN 333 CO 0.01 0.33 -0.02 0.00 -2.65 0.00 0.00 178.83 176.50 1sh3 h ALA 334 N 1.66 1.01 0.00 3.38 0.00 -0.89 -3.24 119.26 121.19 1sh3 h ALA 334 Ca 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1sh3 h ALA 334 Cb 1.32 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1sh3 h ALA 334 CO -0.37 0.03 -0.49 0.09 0.00 0.00 0.00 179.25 178.51 1sh3 n ASN 335 N -3.13 1.67 -3.13 0.00 3.02 0.04 -5.05 115.26 108.68 1sh3 n ASN 335 Ca 0.00 -3.48 -0.15 0.00 -0.03 0.00 0.00 54.58 50.93 1sh3 n ASN 335 Cb 0.29 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1sh3 n ASN 335 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sh3 s SER 336 N -2.96 0.95 -0.24 6.41 0.01 -0.91 -1.41 113.70 115.55 1sh3 s SER 336 Ca 0.35 -1.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.03 1sh3 s SER 336 Cb 0.35 0.69 0.11 0.00 0.21 0.00 0.00 66.02 67.38 1sh3 s SER 336 CO -0.06 -1.35 0.52 -0.22 0.41 0.00 0.00 173.24 172.53 1sh3 s LEU 337 N -3.24 -0.86 0.11 2.44 2.96 0.45 -4.92 118.68 115.61 1sh3 s LEU 337 Ca 0.30 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.47 1sh3 s LEU 337 Cb -0.01 1.75 -0.04 0.00 0.50 0.00 0.00 46.19 48.39 1sh3 s LEU 337 CO 0.21 -0.23 0.01 -0.36 -1.32 0.00 0.00 176.35 174.65 1sh3 s PHE 338 N 2.73 2.97 -0.24 5.38 0.08 -1.26 -2.20 117.98 125.44 1sh3 s PHE 338 Ca -0.03 -0.05 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 1sh3 s PHE 338 Cb -0.12 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1sh3 s PHE 338 CO -0.15 0.49 -0.00 -1.12 -0.10 0.00 0.00 175.22 174.33 1sh3 s SER 339 N -2.48 3.73 -0.06 1.36 0.01 -0.81 -4.29 113.70 111.16 1sh3 s SER 339 Ca 0.26 -1.24 0.05 0.00 1.31 0.00 0.00 55.95 56.33 1sh3 s SER 339 Cb -0.11 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 1sh3 s SER 339 CO 0.19 -0.29 -0.20 -0.36 0.41 0.00 0.00 173.24 172.99 1sh3 s PHE 340 N 1.50 2.57 -0.37 2.43 0.08 0.10 -1.86 117.98 122.43 1sh3 s PHE 340 Ca -0.01 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.56 1sh3 s PHE 340 Cb -0.18 -1.63 0.15 0.00 -0.57 0.00 0.00 43.02 40.79 1sh3 s PHE 340 CO -0.10 -0.06 0.28 -0.47 -0.10 0.00 0.00 175.22 174.77 1sh3 s TYR 341 N -0.32 0.57 0.00 0.36 6.14 -0.46 -0.26 117.35 123.37 1sh3 s TYR 341 Ca 0.02 -1.63 0.00 0.00 0.64 0.00 0.00 57.07 56.10 1sh3 s TYR 341 Cb -0.13 -0.79 0.00 0.00 0.42 0.00 0.00 41.96 41.46 1sh3 s TYR 341 CO 0.02 -0.86 0.00 0.41 0.64 0.00 0.00 175.55 175.76 1sh3 n GLY 342 N 3.76 2.29 0.09 8.97 0.00 -1.24 -2.26 105.19 116.81 1sh3 n GLY 342 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1sh3 n GLY 342 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sh3 h ASP 343 N 0.00 0.00 -3.08 1.61 3.04 -1.90 -3.38 116.42 112.71 1sh3 h ASP 343 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 1sh3 h ASP 343 Cb 0.00 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.36 1sh3 h ASP 343 CO 0.00 0.81 0.94 -0.62 -2.04 0.00 0.00 179.24 178.32 1sh3 s ASP 344 N -6.09 6.37 -0.01 4.15 -1.08 -0.96 -4.74 116.67 114.31 1sh3 s ASP 344 Ca -0.03 2.93 -0.08 0.00 -0.52 0.00 0.00 52.55 54.85 1sh3 s ASP 344 Cb 0.08 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1sh3 s ASP 344 CO 0.81 -0.94 0.18 -1.83 0.52 0.00 0.00 175.17 173.91 1sh3 s GLU 345 N 0.12 0.47 -0.13 4.34 -1.05 -1.26 -1.36 118.70 119.83 1sh3 s GLU 345 Ca 0.68 -0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 55.25 1sh3 s GLU 345 Cb -0.49 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.43 1sh3 s GLU 345 CO 0.42 -0.11 -0.07 0.42 0.95 0.00 0.00 175.26 176.87 1sh3 s ILE 346 N -1.10 1.07 -0.29 1.83 1.01 -0.78 -4.77 121.20 118.17 1sh3 s ILE 346 Ca -0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1sh3 s ILE 346 Cb -0.06 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1sh3 s ILE 346 CO 0.02 0.30 0.05 -0.69 0.00 0.00 0.00 174.94 174.62 1sh3 s VAL 347 N 1.68 3.73 -0.02 2.92 1.01 -1.02 -1.92 120.40 126.79 1sh3 s VAL 347 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1sh3 s VAL 347 Cb -0.13 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1sh3 s VAL 347 CO -0.08 0.10 -0.19 -0.94 0.00 0.00 0.00 175.10 173.99 1sh3 s SER 348 N 1.46 3.70 0.17 3.32 1.04 -0.93 -1.42 113.70 121.03 1sh3 s SER 348 Ca 0.02 -0.34 -0.17 0.00 0.48 0.00 0.00 55.95 55.95 1sh3 s SER 348 Cb -0.17 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.34 1sh3 s SER 348 CO 0.01 0.31 0.47 0.28 0.98 0.00 0.00 173.24 175.29 1sh3 s THR 349 N -0.75 0.04 -0.42 2.02 -1.32 0.23 -0.42 115.64 115.02 1sh3 s THR 349 Ca 0.12 -0.71 0.16 0.00 -1.21 0.00 0.00 61.69 60.05 1sh3 s THR 349 Cb -0.10 -1.43 -0.21 0.00 -1.51 0.00 0.00 72.50 69.24 1sh3 s THR 349 CO 0.01 -0.19 0.54 0.47 -2.21 0.00 0.00 174.62 173.24 1sh3 n ASP 350 N -0.30 0.96 -4.66 8.08 8.00 -0.50 -1.50 116.55 126.63 1sh3 n ASP 350 Ca -0.12 -0.48 -0.41 0.00 0.71 0.00 0.00 54.79 54.49 1sh3 n ASP 350 Cb 0.63 1.35 -0.04 0.00 -0.02 0.00 0.00 41.12 43.04 1sh3 n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sh3 s ILE 351 N -2.82 4.87 0.16 0.53 1.01 -1.26 -4.92 121.20 118.78 1sh3 s ILE 351 Ca 0.00 1.61 -0.31 0.00 0.00 0.00 0.00 60.65 61.96 1sh3 s ILE 351 Cb 0.11 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1sh3 s ILE 351 CO 0.68 0.01 1.37 -0.75 0.00 0.00 0.00 174.94 176.24 1sh3 s LYS 352 N 2.29 4.34 0.31 2.79 2.36 -1.26 -5.01 119.74 125.56 1sh3 s LYS 352 Ca 0.37 2.10 0.01 0.00 -2.55 0.00 0.00 55.97 55.90 1sh3 s LYS 352 Cb -0.16 -3.21 -0.00 0.00 -1.05 0.00 0.00 37.83 33.41 1sh3 s LYS 352 CO 0.11 -0.36 0.03 1.47 1.55 0.00 0.00 175.35 178.15 1sh3 n LEU 353 N 3.23 0.00 -4.22 5.43 -0.00 -1.26 -5.02 117.00 115.16 1sh3 n LEU 353 Ca 0.09 -2.07 -0.35 0.00 -0.00 0.00 0.00 56.01 53.68 1sh3 n LEU 353 Cb 0.42 0.37 -0.14 0.00 -0.00 0.00 0.00 43.42 44.07 1sh3 n LEU 353 CO 0.59 -0.30 -0.40 -0.62 -0.00 0.00 0.00 177.39 176.65 1sh3 s ASP 354 N -2.77 4.29 0.16 1.45 -1.08 -1.26 -5.02 116.67 112.44 1sh3 s ASP 354 Ca 0.04 -0.80 -0.15 0.00 -0.52 0.00 0.00 52.55 51.12 1sh3 s ASP 354 Cb 0.00 -1.67 0.05 0.00 -1.46 0.00 0.00 42.92 39.84 1sh3 s ASP 354 CO 0.03 -0.11 1.81 1.55 0.52 0.00 0.00 175.17 178.97 1sh3 h PRO 355 N 8.03 0.52 -0.29 4.34 0.13 -1.99 0.66 132.00 143.41 1sh3 h PRO 355 Ca -0.34 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1sh3 h PRO 355 Cb 1.12 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1sh3 h PRO 355 CO 0.58 0.34 0.13 0.93 -0.23 0.00 0.00 178.00 179.76 1sh3 h GLU 356 N 0.54 0.42 -0.67 0.86 3.07 -1.95 -2.63 114.58 114.21 1sh3 h GLU 356 Ca 0.17 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1sh3 h GLU 356 Cb -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 1sh3 h GLU 356 CO -0.07 0.41 0.18 0.87 -1.40 0.00 0.00 179.01 179.01 1sh3 h LYS 357 N 0.32 1.04 -0.14 2.33 1.57 -1.90 -2.71 116.57 117.08 1sh3 h LYS 357 Ca 0.10 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1sh3 h LYS 357 Cb 0.14 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1sh3 h LYS 357 CO -0.01 0.91 -0.16 1.25 -0.57 0.00 0.00 179.45 180.87 1sh3 h LEU 358 N 1.00 0.39 -0.30 2.94 5.85 -0.84 -2.68 115.31 121.66 1sh3 h LEU 358 Ca 0.22 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1sh3 h LEU 358 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sh3 h LEU 358 CO -0.00 0.81 0.18 0.74 -0.34 0.00 0.00 178.44 179.82 1sh3 h THR 359 N -0.01 1.12 0.00 1.05 2.02 -1.44 0.53 112.91 116.17 1sh3 h THR 359 Ca 0.02 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1sh3 h THR 359 Cb 0.70 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1sh3 h THR 359 CO 0.04 0.12 -0.07 0.00 0.37 0.00 0.00 175.52 175.98 1sh3 h ALA 360 N 1.06 1.71 0.19 6.16 0.00 -1.56 0.59 119.26 127.41 1sh3 h ALA 360 Ca 0.11 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1sh3 h ALA 360 Cb 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sh3 h ALA 360 CO -0.02 0.09 -1.73 0.87 0.00 0.00 0.00 179.25 178.45 1sh3 h LYS 361 N 0.00 0.40 -0.58 0.00 6.56 -1.04 0.28 116.57 122.20 1sh3 h LYS 361 Ca -0.00 -0.69 0.02 0.00 -1.06 0.00 0.00 60.65 58.92 1sh3 h LYS 361 Cb 0.14 0.26 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 1sh3 h LYS 361 CO 0.01 1.33 0.36 -0.07 -2.06 0.00 0.00 179.45 179.01 1sh3 h LEU 362 N 0.11 0.60 -0.93 2.94 3.38 0.25 -2.25 115.31 119.41 1sh3 h LEU 362 Ca -0.34 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1sh3 h LEU 362 Cb 2.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1sh3 h LEU 362 CO 0.19 0.42 -0.14 0.11 0.09 0.00 0.00 178.44 179.10 1sh3 h LYS 363 N 0.72 0.62 -0.92 1.13 1.57 0.14 -2.61 116.57 117.22 1sh3 h LYS 363 Ca 0.23 -0.20 0.19 0.00 -1.87 0.00 0.00 60.65 58.99 1sh3 h LYS 363 Cb -0.01 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.14 1sh3 h LYS 363 CO -0.08 0.75 0.48 1.49 -0.57 0.00 0.00 179.45 181.52 1sh3 h GLU 364 N 0.57 0.57 0.00 3.15 4.81 0.13 -1.30 114.58 122.51 1sh3 h GLU 364 Ca 0.10 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1sh3 h GLU 364 Cb 0.57 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1sh3 h GLU 364 CO 0.04 0.38 -0.57 1.88 -0.73 0.00 0.00 179.01 180.00 1sh3 h TYR 365 N 0.58 0.00 0.00 0.92 0.05 -1.07 -2.45 116.97 115.01 1sh3 h TYR 365 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1sh3 h TYR 365 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1sh3 h TYR 365 CO -0.07 0.57 0.00 0.41 -1.05 0.00 0.00 178.16 178.02 1sh3 n GLY 366 N 0.34 4.05 3.66 3.88 0.00 -0.49 -3.56 105.19 113.06 1sh3 n GLY 366 Ca -0.01 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1sh3 n GLY 366 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sh3 s LEU 367 N 0.00 4.31 -0.42 0.99 0.05 -1.22 -4.89 118.68 117.50 1sh3 s LEU 367 Ca 0.00 2.29 -0.23 0.00 0.05 0.00 0.00 54.13 56.25 1sh3 s LEU 367 Cb 0.00 -3.53 0.02 0.00 -2.05 0.00 0.00 46.19 40.63 1sh3 s LEU 367 CO 0.00 -0.99 0.76 -1.59 -0.55 0.00 0.00 176.35 173.99 1sh3 s LYS 368 N 4.20 3.50 0.87 1.48 -2.85 -1.26 -3.98 119.74 121.70 1sh3 s LYS 368 Ca 0.77 -0.01 -0.13 0.00 -1.00 0.00 0.00 55.97 55.60 1sh3 s LYS 368 Cb -0.35 -3.90 0.12 0.00 -2.06 0.00 0.00 37.83 31.65 1sh3 s LYS 368 CO 0.32 -1.02 1.23 -1.25 0.10 0.00 0.00 175.35 174.74 1sh3 s PRO 369 N 3.17 1.47 0.09 1.78 0.04 -1.26 0.42 135.00 140.71 1sh3 s PRO 369 Ca 0.29 -0.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 1sh3 s PRO 369 Cb -0.13 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1sh3 s PRO 369 CO 0.20 -1.90 0.24 0.95 0.04 0.00 0.00 177.00 176.53 1sh3 s THR 370 N -3.69 0.12 0.06 1.26 -4.23 -0.49 -4.75 115.64 103.92 1sh3 s THR 370 Ca 0.66 -1.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1sh3 s THR 370 Cb -0.08 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 1sh3 s THR 370 CO 0.50 -0.56 -0.22 -0.60 -0.54 0.00 0.00 174.62 173.20 1sh3 s ARG 371 N -3.76 1.44 0.26 3.99 6.06 -1.26 -4.30 118.95 121.37 1sh3 s ARG 371 Ca 0.04 -1.03 0.13 0.00 -2.50 0.00 0.00 55.73 52.37 1sh3 s ARG 371 Cb 0.04 -1.61 0.90 0.00 0.06 0.00 0.00 34.95 34.34 1sh3 s ARG 371 CO -0.11 0.41 1.12 -2.30 -2.50 0.00 0.00 175.30 171.92 1sh3 n PRO 372 N 1.67 -0.04 -4.30 5.12 -0.01 -1.26 -3.12 135.00 133.05 1sh3 n PRO 372 Ca -0.17 0.99 -0.34 0.00 -0.01 0.00 0.00 63.50 63.97 1sh3 n PRO 372 Cb 0.53 -1.75 -0.13 0.00 -0.01 0.00 0.00 33.50 32.14 1sh3 n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1sh3 s ASP 373 N -4.71 4.61 0.00 2.55 1.11 -1.26 -4.99 116.67 113.98 1sh3 s ASP 373 Ca -0.07 -0.22 -0.09 0.00 0.18 0.00 0.00 52.55 52.35 1sh3 s ASP 373 Cb 0.24 -1.76 -0.11 0.00 1.07 0.00 0.00 42.92 42.36 1sh3 s ASP 373 CO 0.55 0.11 0.82 2.29 1.18 0.00 0.00 175.17 180.13 1sh3 n LYS 374 N 3.91 0.00 0.29 8.23 2.85 -1.18 -4.54 118.16 127.72 1sh3 n LYS 374 Ca -0.18 -0.40 0.19 0.00 -1.05 0.00 0.00 58.31 56.87 1sh3 n LYS 374 Cb 0.52 -1.65 0.83 0.00 -0.65 0.00 0.00 35.03 34.08 1sh3 n LYS 374 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1sh3 h THR 375 N 4.37 0.00 -7.01 0.58 1.35 -1.95 -3.47 112.91 106.79 1sh3 h THR 375 Ca 0.08 -0.34 -0.61 0.00 -0.55 0.00 0.00 66.41 64.99 1sh3 h THR 375 Cb 0.35 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 68.02 1sh3 h THR 375 CO 0.96 0.00 -1.00 1.21 -0.25 0.00 0.00 175.52 176.44 1sh3 n GLU 376 N -3.03 -0.38 0.00 4.72 0.00 -1.26 -4.88 120.64 115.81 1sh3 n GLU 376 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1sh3 n GLU 376 Cb 0.23 -2.69 0.00 0.00 0.00 0.00 0.00 31.44 28.98 1sh3 n GLU 376 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sh3 n GLY 377 N -2.23 3.97 3.76 8.31 0.00 -1.26 -5.14 105.19 112.61 1sh3 n GLY 377 Ca -0.16 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1sh3 n GLY 377 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh3 s PRO 378 N 4.68 4.14 -0.59 1.61 0.04 -1.26 -4.94 135.00 138.68 1sh3 s PRO 378 Ca 0.00 2.53 -0.28 0.00 0.04 0.00 0.00 61.00 63.29 1sh3 s PRO 378 Cb 0.00 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.56 1sh3 s PRO 378 CO 0.00 -0.55 1.20 -1.17 0.04 0.00 0.00 177.00 176.52 1sh3 s LEU 379 N -1.20 3.44 0.75 -3.56 1.98 -1.26 -4.95 118.68 113.88 1sh3 s LEU 379 Ca 0.58 0.06 -0.15 0.00 -2.89 0.00 0.00 54.13 51.73 1sh3 s LEU 379 Cb -0.46 -3.12 0.04 0.00 0.66 0.00 0.00 46.19 43.30 1sh3 s LEU 379 CO 0.54 -1.50 1.12 0.55 -1.89 0.00 0.00 176.35 175.16 1sh3 n VAL 380 N 6.65 2.84 -4.21 1.68 3.14 -1.26 -4.74 118.33 122.43 1sh3 n VAL 380 Ca 0.08 -0.32 -0.23 0.00 -2.96 0.00 0.00 64.34 60.91 1sh3 n VAL 380 Cb 0.49 -1.21 -0.17 0.00 -1.06 0.00 0.00 33.84 31.89 1sh3 n VAL 380 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1sh3 s ILE 381 N -1.88 0.82 0.12 1.55 1.09 -1.26 -4.60 121.20 117.03 1sh3 s ILE 381 Ca 0.75 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.05 1sh3 s ILE 381 Cb -0.33 -0.82 -0.04 0.00 -1.06 0.00 0.00 42.46 40.22 1sh3 s ILE 381 CO 0.49 0.30 0.28 -0.55 -0.10 0.00 0.00 174.94 175.36 1sh3 s SER 382 N 1.11 6.37 0.00 3.58 0.15 -0.43 -4.96 113.70 119.53 1sh3 s SER 382 Ca -0.07 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.13 1sh3 s SER 382 Cb -0.14 -1.97 0.75 0.00 -1.71 0.00 0.00 66.02 62.96 1sh3 s SER 382 CO -0.01 0.09 1.57 -0.62 1.20 0.00 0.00 173.24 175.47 1sh3 n GLU 383 N -0.12 1.31 -4.20 5.44 1.02 -1.26 -2.18 120.64 120.65 1sh3 n GLU 383 Ca -0.05 -0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 55.93 1sh3 n GLU 383 Cb 0.52 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 1sh3 n GLU 383 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh3 s ASP 384 N -2.26 2.98 0.29 1.62 -1.08 -1.26 -4.81 116.67 112.14 1sh3 s ASP 384 Ca 0.29 -0.59 0.02 0.00 -0.52 0.00 0.00 52.55 51.75 1sh3 s ASP 384 Cb 0.20 -1.38 0.44 0.00 -1.46 0.00 0.00 42.92 40.72 1sh3 s ASP 384 CO 0.44 0.00 1.77 0.25 0.52 0.00 0.00 175.17 178.14 1sh3 h LEU 385 N 7.84 0.55 -8.21 -1.34 5.85 -1.94 -3.45 115.31 114.61 1sh3 h LEU 385 Ca -0.41 -0.15 -0.61 0.00 0.84 0.00 0.00 57.88 57.55 1sh3 h LEU 385 Cb 1.15 -0.15 0.10 0.00 0.37 0.00 0.00 40.66 42.14 1sh3 h LEU 385 CO 0.59 0.71 -0.52 0.59 -0.34 0.00 0.00 178.44 179.48 1sh3 n ASN 386 N -4.18 -1.27 0.00 1.25 3.02 -1.26 -1.69 115.26 111.13 1sh3 n ASN 386 Ca 0.01 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1sh3 n ASN 386 Cb 0.34 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1sh3 n ASN 386 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sh3 n GLY 387 N 1.85 3.09 3.77 7.41 0.00 -0.98 -4.99 105.19 115.33 1sh3 n GLY 387 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1sh3 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh3 s LEU 388 N 0.00 3.28 -0.09 0.99 1.43 -0.68 -4.71 118.68 118.90 1sh3 s LEU 388 Ca 0.00 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 1sh3 s LEU 388 Cb 0.00 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1sh3 s LEU 388 CO 0.00 -1.79 -0.20 -0.89 0.23 0.00 0.00 176.35 173.70 1sh3 s THR 389 N -2.49 2.43 -0.01 5.49 2.01 -1.26 -1.82 115.64 119.98 1sh3 s THR 389 Ca 0.66 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 1sh3 s THR 389 Cb -0.20 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1sh3 s THR 389 CO 0.46 0.56 0.02 0.12 -0.69 0.00 0.00 174.62 175.09 1sh3 s PHE 390 N 0.07 0.01 -1.02 4.92 5.36 -0.98 -4.63 117.98 121.71 1sh3 s PHE 390 Ca -0.09 0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 55.79 1sh3 s PHE 390 Cb -0.15 -0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1sh3 s PHE 390 CO 0.06 -0.04 0.69 1.28 -1.46 0.00 0.00 175.22 175.74 1sh3 n LEU 391 N 3.59 -2.20 -2.70 6.12 4.77 -1.26 -1.36 117.00 123.97 1sh3 n LEU 391 Ca -0.19 -0.99 -0.12 0.00 -0.03 0.00 0.00 56.01 54.68 1sh3 n LEU 391 Cb 0.55 -2.02 -0.01 0.00 -2.33 0.00 0.00 43.42 39.62 1sh3 n LEU 391 CO 0.24 0.38 -0.09 0.54 -1.33 0.00 0.00 177.39 177.13 1sh3 n ARG 392 N -3.68 -2.64 -4.12 3.23 1.74 -1.26 -4.92 116.66 105.01 1sh3 n ARG 392 Ca -0.16 0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1sh3 n ARG 392 Cb 0.61 -5.01 -0.11 0.00 -1.02 0.00 0.00 32.46 26.93 1sh3 n ARG 392 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1sh3 s ARG 393 N -5.28 0.70 -0.13 5.56 3.00 -0.46 -2.57 118.95 119.76 1sh3 s ARG 393 Ca 0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 55.73 54.78 1sh3 s ARG 393 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 34.95 34.52 1sh3 s ARG 393 CO 0.13 0.04 -0.02 0.99 0.00 0.00 0.00 175.30 176.44 1sh3 s THR 394 N -2.26 4.06 0.17 0.02 2.01 0.49 -2.33 115.64 117.80 1sh3 s THR 394 Ca -0.00 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1sh3 s THR 394 Cb -0.04 -2.75 -0.07 0.00 0.01 0.00 0.00 72.50 69.64 1sh3 s THR 394 CO -0.01 0.53 1.03 0.68 -0.69 0.00 0.00 174.62 176.16 1sh3 s VAL 395 N -0.07 4.08 -0.09 3.82 -7.23 -0.76 0.74 120.40 120.90 1sh3 s VAL 395 Ca 0.03 1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 61.96 1sh3 s VAL 395 Cb -0.13 -4.16 0.04 0.00 0.56 0.00 0.00 36.38 32.69 1sh3 s VAL 395 CO 0.02 0.32 0.21 -0.89 -0.31 0.00 0.00 175.10 174.45 1sh3 s THR 396 N -0.34 -0.03 -0.16 5.32 2.01 -0.13 -2.33 115.64 119.99 1sh3 s THR 396 Ca 0.47 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 1sh3 s THR 396 Cb -0.27 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1sh3 s THR 396 CO 0.33 0.04 0.16 -0.60 -0.69 0.00 0.00 174.62 173.87 1sh3 s ARG 397 N 0.87 3.90 0.46 4.92 3.52 -1.26 -0.06 118.95 131.30 1sh3 s ARG 397 Ca -0.06 -0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1sh3 s ARG 397 Cb -0.08 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1sh3 s ARG 397 CO -0.05 0.49 0.03 0.16 -0.81 0.00 0.00 175.30 175.12 1sh3 s ASP 398 N -0.21 3.68 0.16 -2.12 1.47 -1.08 -5.01 116.67 113.55 1sh3 s ASP 398 Ca 0.12 -1.59 0.07 0.00 1.18 0.00 0.00 52.55 52.33 1sh3 s ASP 398 Cb -0.12 0.32 0.55 0.00 -0.34 0.00 0.00 42.92 43.33 1sh3 s ASP 398 CO 0.02 -0.79 0.72 -2.65 0.68 0.00 0.00 175.17 173.15 1sh3 n PRO 399 N -1.10 -0.03 -3.32 2.11 -0.02 -1.26 -3.23 135.00 128.15 1sh3 n PRO 399 Ca -0.13 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 61.75 1sh3 n PRO 399 Cb 0.67 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.93 1sh3 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh3 n ALA 400 N -2.87 2.57 0.00 3.55 0.00 -1.26 -5.10 120.51 117.40 1sh3 n ALA 400 Ca 0.16 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1sh3 n ALA 400 Cb 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1sh3 n ALA 400 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh3 n GLY 401 N 2.49 3.49 3.83 0.00 0.00 -1.20 -5.09 105.19 108.72 1sh3 n GLY 401 Ca 0.27 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1sh3 n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sh3 s TRP 402 N -1.41 3.39 0.22 1.61 0.52 -1.26 -2.64 118.94 119.37 1sh3 s TRP 402 Ca 0.00 1.51 -0.23 0.00 0.02 0.00 0.00 56.10 57.40 1sh3 s TRP 402 Cb 0.00 -2.82 0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1sh3 s TRP 402 CO 0.00 -0.34 0.81 -0.59 0.02 0.00 0.00 176.95 176.85 1sh3 s PHE 403 N -2.48 -0.19 -0.22 -1.98 -0.71 0.91 -4.13 117.98 109.18 1sh3 s PHE 403 Ca 0.60 -0.19 -0.08 0.00 -1.04 0.00 0.00 56.93 56.22 1sh3 s PHE 403 Cb -0.10 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1sh3 s PHE 403 CO 0.26 -1.04 0.08 0.20 -1.34 0.00 0.00 175.22 173.38 1sh3 s GLY 404 N -2.91 1.84 -0.24 1.99 0.00 -1.26 -0.95 107.32 105.80 1sh3 s GLY 404 Ca 0.11 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 1sh3 s GLY 404 CO 0.04 0.32 0.03 1.25 0.00 0.00 0.00 173.10 174.73 1sh3 s LYS 405 N 1.05 3.56 -0.02 2.90 2.20 0.23 -4.84 119.74 124.80 1sh3 s LYS 405 Ca 0.04 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 1sh3 s LYS 405 Cb -0.14 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1sh3 s LYS 405 CO 0.03 -0.18 1.36 -1.17 -0.36 0.00 0.00 175.35 175.03 1sh3 s LEU 406 N 1.53 4.30 0.16 5.43 2.96 -1.26 0.18 118.68 131.99 1sh3 s LEU 406 Ca 0.06 2.03 -0.31 0.00 -0.22 0.00 0.00 54.13 55.70 1sh3 s LEU 406 Cb -0.15 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1sh3 s LEU 406 CO 0.01 -0.70 0.71 -0.62 -1.32 0.00 0.00 176.35 174.43 1sh3 n GLU 407 N 5.46 0.17 -0.09 1.98 1.02 -1.06 -4.83 120.64 123.28 1sh3 n GLU 407 Ca 0.13 0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1sh3 n GLU 407 Cb 0.44 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 1sh3 n GLU 407 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1sh3 h GLN 408 N 1.62 0.42 -0.61 3.49 4.20 -1.94 -2.55 115.11 119.75 1sh3 h GLN 408 Ca -0.34 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.39 1sh3 h GLN 408 Cb 1.42 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.06 1sh3 h GLN 408 CO 0.60 0.31 0.32 0.66 -0.67 0.00 0.00 178.83 180.05 1sh3 h SER 409 N 0.41 0.46 -0.51 1.46 4.64 -2.00 -1.76 113.55 116.24 1sh3 h SER 409 Ca 0.11 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.53 1sh3 h SER 409 Cb -0.00 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1sh3 h SER 409 CO -0.02 0.30 0.34 -1.28 -0.87 0.00 0.00 176.83 175.30 1sh3 h SER 410 N 0.60 0.38 -0.15 4.97 0.87 -1.85 -1.96 113.55 116.41 1sh3 h SER 410 Ca 0.27 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.65 1sh3 h SER 410 Cb 0.19 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1sh3 h SER 410 CO -0.18 0.24 -0.64 0.40 -0.53 0.00 0.00 176.83 176.12 1sh3 h ILE 411 N 0.43 1.31 -0.57 2.23 2.04 -0.95 -3.29 117.51 118.71 1sh3 h ILE 411 Ca 0.23 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.19 1sh3 h ILE 411 Cb 0.34 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1sh3 h ILE 411 CO -0.06 0.59 0.29 0.17 0.00 0.00 0.00 178.15 179.14 1sh3 h LEU 412 N 0.38 0.74 -0.97 1.44 8.10 -0.70 -2.67 115.31 121.63 1sh3 h LEU 412 Ca -0.04 -0.12 0.16 0.00 0.11 0.00 0.00 57.88 58.00 1sh3 h LEU 412 Cb 1.27 -0.19 -0.10 0.00 -0.44 0.00 0.00 40.66 41.21 1sh3 h LEU 412 CO 0.13 0.64 0.58 0.03 -4.11 0.00 0.00 178.44 175.72 1sh3 h ARG 413 N 0.77 0.78 0.00 0.17 3.08 -1.50 0.18 114.38 117.87 1sh3 h ARG 413 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1sh3 h ARG 413 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1sh3 h ARG 413 CO -0.03 0.52 -0.26 1.96 -1.07 0.00 0.00 179.97 181.09 1sh3 h GLN 414 N 0.81 0.00 -0.57 0.04 4.20 -1.56 -2.77 115.11 115.25 1sh3 h GLN 414 Ca 0.53 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.16 1sh3 h GLN 414 Cb 0.72 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1sh3 h GLN 414 CO -0.34 0.26 0.05 0.52 -0.67 0.00 0.00 178.83 178.64 1sh3 h MET 415 N 0.00 0.94 0.00 1.46 2.86 -0.31 -3.28 114.93 116.60 1sh3 h MET 415 Ca -0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1sh3 h MET 415 Cb 0.91 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1sh3 h MET 415 CO 0.03 0.90 -1.78 0.66 1.06 0.00 0.00 176.91 177.78 1sh3 n TYR 416 N -4.21 0.04 -4.53 -0.22 4.01 -1.13 -4.76 117.16 106.37 1sh3 n TYR 416 Ca 0.03 0.01 -0.33 0.00 -0.16 0.00 0.00 57.90 57.45 1sh3 n TYR 416 Cb 0.30 -0.44 -0.15 0.00 -0.31 0.00 0.00 39.34 38.74 1sh3 n TYR 416 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1sh3 s TRP 417 N -3.42 2.77 0.07 -0.72 0.52 -1.05 -0.89 118.94 116.21 1sh3 s TRP 417 Ca -0.05 -1.10 0.04 0.00 0.02 0.00 0.00 56.10 55.02 1sh3 s TRP 417 Cb 0.14 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1sh3 s TRP 417 CO 0.90 -0.50 -0.01 -0.08 0.02 0.00 0.00 176.95 177.27 1sh3 s THR 418 N 0.84 3.97 0.27 2.01 -1.32 0.76 -4.61 115.64 117.56 1sh3 s THR 418 Ca -0.05 -0.93 -0.25 0.00 -1.21 0.00 0.00 61.69 59.25 1sh3 s THR 418 Cb -0.15 -2.86 -0.09 0.00 -1.51 0.00 0.00 72.50 67.89 1sh3 s THR 418 CO -0.01 0.18 0.88 -0.13 -2.21 0.00 0.00 174.62 173.33 1sh3 s ARG 419 N -2.12 4.57 0.00 7.08 0.52 -1.26 -0.91 118.95 126.83 1sh3 s ARG 419 Ca 0.24 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1sh3 s ARG 419 Cb -0.12 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1sh3 s ARG 419 CO 0.16 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.27 1sh3 n GLY 420 N 0.90 2.58 3.76 -3.53 0.00 0.83 -4.92 105.19 104.82 1sh3 n GLY 420 Ca -0.01 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1sh3 n GLY 420 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh3 s PRO 421 N 0.53 2.47 0.18 1.61 0.02 -1.26 -4.64 135.00 133.91 1sh3 s PRO 421 Ca 0.00 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.08 1sh3 s PRO 421 Cb 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1sh3 s PRO 421 CO 0.00 -1.51 1.42 -0.80 -0.33 0.00 0.00 177.00 175.78 1sh3 s ASN 422 N -2.79 6.75 0.08 2.53 0.01 -1.26 -4.62 114.94 115.64 1sh3 s ASN 422 Ca 0.66 2.49 -0.07 0.00 -0.71 0.00 0.00 52.86 55.23 1sh3 s ASN 422 Cb -0.20 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.84 1sh3 s ASN 422 CO 0.47 -0.67 0.14 -1.38 -1.51 0.00 0.00 177.10 174.15 1sh3 s HIS 423 N 0.59 0.24 -0.70 2.20 -3.43 -0.72 -4.86 115.29 108.61 1sh3 s HIS 423 Ca 0.62 -0.69 0.26 0.00 -0.80 0.00 0.00 55.06 54.45 1sh3 s HIS 423 Cb -0.39 -0.14 0.73 0.00 -1.43 0.00 0.00 32.58 31.34 1sh3 s HIS 423 CO 0.36 -0.50 1.72 0.93 -2.00 0.00 0.00 174.74 175.24 1sh3 h GLU 424 N 2.87 0.00 -4.45 -0.38 5.08 -1.87 -1.53 114.58 114.30 1sh3 h GLU 424 Ca -0.34 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.41 1sh3 h GLU 424 Cb 1.18 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.06 1sh3 h GLU 424 CO 0.58 0.00 -0.80 0.34 -1.00 0.00 0.00 179.01 178.14 1sh3 s ASP 425 N -4.62 3.63 0.41 1.42 -1.08 -1.26 -4.64 116.67 110.52 1sh3 s ASP 425 Ca 0.10 -1.04 0.12 0.00 -0.52 0.00 0.00 52.55 51.22 1sh3 s ASP 425 Cb 0.12 -1.20 0.85 0.00 -1.46 0.00 0.00 42.92 41.24 1sh3 s ASP 425 CO 0.62 -0.19 1.92 -0.65 0.52 0.00 0.00 175.17 177.38 1sh3 h PRO 426 N 7.97 0.06 0.00 4.34 0.11 -1.85 -2.78 132.00 139.85 1sh3 h PRO 426 Ca -0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1sh3 h PRO 426 Cb 1.08 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sh3 h PRO 426 CO 0.44 0.29 -0.08 0.66 -0.21 0.00 0.00 178.00 179.11 1sh3 h SER 427 N 0.06 0.00 -1.97 -2.05 4.64 -1.95 -3.22 113.55 109.06 1sh3 h SER 427 Ca 0.01 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.72 1sh3 h SER 427 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1sh3 h SER 427 CO 0.03 0.08 1.21 1.21 -0.87 0.00 0.00 176.83 178.49 1sh3 n GLU 428 N -3.20 2.13 -3.17 4.77 2.13 -1.05 -4.76 120.64 117.50 1sh3 n GLU 428 Ca 0.01 0.75 -0.26 0.00 0.66 0.00 0.00 57.16 58.32 1sh3 n GLU 428 Cb 0.36 -2.76 -0.01 0.00 0.27 0.00 0.00 31.44 29.29 1sh3 n GLU 428 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1sh3 s THR 429 N 5.10 5.04 -0.05 6.31 -1.32 -1.26 -3.38 115.64 126.07 1sh3 s THR 429 Ca 0.95 -0.19 -0.02 0.00 -1.21 0.00 0.00 61.69 61.22 1sh3 s THR 429 Cb -0.62 -3.84 0.04 0.00 -1.51 0.00 0.00 72.50 66.56 1sh3 s THR 429 CO 0.48 -0.60 0.10 -0.32 -2.21 0.00 0.00 174.62 172.07 1sh3 s MET 430 N -4.30 0.00 0.70 7.08 0.00 0.03 -4.89 119.30 117.93 1sh3 s MET 430 Ca 0.43 0.37 -0.16 0.00 0.00 0.00 0.00 55.69 56.32 1sh3 s MET 430 Cb -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 34.83 34.46 1sh3 s MET 430 CO 0.37 -0.23 1.25 0.96 0.00 0.00 0.00 175.02 177.37 1sh3 s ILE 431 N 1.61 2.11 0.00 10.11 -5.25 -1.26 -4.45 121.20 124.06 1sh3 s ILE 431 Ca -0.03 0.06 -0.01 0.00 -0.99 0.00 0.00 60.65 59.67 1sh3 s ILE 431 Cb -0.12 -2.82 -0.02 0.00 2.95 0.00 0.00 42.46 42.45 1sh3 s ILE 431 CO -0.04 -0.02 0.29 -2.65 -1.79 0.00 0.00 174.94 170.72 1sh3 n PRO 432 N -2.38 0.00 0.00 0.37 -0.02 -1.26 -4.83 135.00 126.88 1sh3 n PRO 432 Ca 0.15 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1sh3 n PRO 432 Cb 0.49 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1sh3 n PRO 432 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1sh3 n HIS 433 N 3.26 0.00 0.00 6.00 8.25 -1.26 -4.55 115.22 126.92 1sh3 n HIS 433 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1sh3 n HIS 433 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1sh3 n HIS 433 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1sh3 n SER 434 N 0.00 0.00 -0.09 0.41 2.88 -1.26 -4.89 113.62 110.67 1sh3 n SER 434 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1sh3 n SER 434 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1sh3 n SER 434 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1sh3 n GLN 435 N 0.00 0.68 -0.28 -1.46 -0.06 -1.26 -4.68 117.38 110.31 1sh3 n GLN 435 Ca 0.00 0.03 0.10 0.00 -2.00 0.00 0.00 57.00 55.13 1sh3 n GLN 435 Cb 0.00 -1.56 0.23 0.00 -4.06 0.00 0.00 30.24 24.85 1sh3 n GLN 435 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1sh3 h ARG 436 N 0.00 0.16 -1.01 3.69 9.65 -1.90 -0.46 114.38 124.51 1sh3 h ARG 436 Ca -0.51 -0.01 0.25 0.00 -1.10 0.00 0.00 59.98 58.61 1sh3 h ARG 436 Cb 2.21 -0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 30.63 1sh3 h ARG 436 CO 0.04 0.10 0.60 -1.35 2.80 0.00 0.00 179.97 182.16 1sh3 h PRO 437 N 0.16 0.54 -0.26 0.20 0.11 -1.83 0.10 132.00 131.02 1sh3 h PRO 437 Ca 0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 1sh3 h PRO 437 Cb 0.94 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1sh3 h PRO 437 CO -0.67 0.36 -0.03 0.82 -0.21 0.00 0.00 178.00 178.28 1sh3 h ILE 438 N 0.56 1.27 -0.48 4.15 5.03 -1.40 -2.65 117.51 123.98 1sh3 h ILE 438 Ca 0.65 -0.98 0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1sh3 h ILE 438 Cb 1.27 1.39 -0.02 0.00 -3.03 0.00 0.00 36.82 36.43 1sh3 h ILE 438 CO -0.48 0.31 0.32 -0.61 -0.68 0.00 0.00 178.15 177.01 1sh3 h GLN 439 N 0.24 0.63 -0.47 2.37 4.15 -1.23 -2.78 115.11 118.02 1sh3 h GLN 439 Ca 0.07 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1sh3 h GLN 439 Cb 0.47 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1sh3 h GLN 439 CO 0.02 0.42 0.14 -0.07 -1.93 0.00 0.00 178.83 177.41 1sh3 h LEU 440 N 0.65 0.63 0.40 -2.39 3.38 -0.97 0.88 115.31 117.88 1sh3 h LEU 440 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1sh3 h LEU 440 Cb -0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1sh3 h LEU 440 CO -0.04 0.61 -0.23 -0.03 0.09 0.00 0.00 178.44 178.83 1sh3 h MET 441 N 0.68 -0.58 -0.23 1.13 4.05 -1.22 -0.36 114.93 118.39 1sh3 h MET 441 Ca 0.16 0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1sh3 h MET 441 Cb 0.21 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1sh3 h MET 441 CO -0.01 -0.38 0.06 0.66 0.23 0.00 0.00 176.91 177.47 1sh3 h SER 442 N -0.60 0.30 -0.23 1.39 4.64 -1.20 0.20 113.55 118.05 1sh3 h SER 442 Ca -0.05 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1sh3 h SER 442 Cb 0.49 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1sh3 h SER 442 CO 0.05 0.30 0.15 -0.07 -0.87 0.00 0.00 176.83 176.40 1sh3 h LEU 443 N 0.33 0.27 -0.76 5.97 3.38 -0.55 0.42 115.31 124.37 1sh3 h LEU 443 Ca 0.08 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1sh3 h LEU 443 Cb 0.13 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1sh3 h LEU 443 CO -0.00 0.21 0.46 -0.07 0.09 0.00 0.00 178.44 179.13 1sh3 h LEU 444 N 0.31 0.74 -0.07 1.67 3.38 -0.08 -0.38 115.31 120.88 1sh3 h LEU 444 Ca 0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1sh3 h LEU 444 Cb -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1sh3 h LEU 444 CO -0.02 0.49 -0.10 1.23 0.09 0.00 0.00 178.44 180.13 1sh3 h GLY 445 N 0.88 -0.06 0.62 0.83 0.00 0.08 0.14 103.07 105.56 1sh3 h GLY 445 Ca 0.32 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.88 1sh3 h GLY 445 CO -0.14 -0.11 0.61 0.83 0.00 0.00 0.00 176.54 177.72 1sh3 h GLU 446 N -0.15 0.93 0.00 4.80 4.39 0.15 -1.97 114.58 122.74 1sh3 h GLU 446 Ca 0.06 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1sh3 h GLU 446 Cb 0.23 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1sh3 h GLU 446 CO -0.15 0.62 -0.41 0.00 -1.16 0.00 0.00 179.01 177.91 1sh3 h ALA 447 N 1.54 1.25 -0.13 3.43 0.00 0.31 -3.10 119.26 122.56 1sh3 h ALA 447 Ca 0.45 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sh3 h ALA 447 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sh3 h ALA 447 CO -0.21 0.51 0.06 0.00 0.00 0.00 0.00 179.25 179.61 1sh3 h ALA 448 N 1.59 1.87 0.00 0.00 0.00 0.03 -2.22 119.26 120.53 1sh3 h ALA 448 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sh3 h ALA 448 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sh3 h ALA 448 CO 0.05 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1sh3 n LEU 449 N -4.49 0.00 0.00 0.00 4.77 -1.17 -4.74 117.00 111.36 1sh3 n LEU 449 Ca -0.01 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1sh3 n LEU 449 Cb 0.10 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1sh3 n LEU 449 CO 0.35 -0.03 0.18 1.41 -1.33 0.00 0.00 177.39 177.97 1sh3 n HIS 450 N -1.07 -2.63 -1.90 -1.77 8.25 -0.84 -5.03 115.22 110.22 1sh3 n HIS 450 Ca 0.13 -1.07 -0.39 0.00 -0.26 0.00 0.00 57.72 56.13 1sh3 n HIS 450 Cb 0.09 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 30.93 1sh3 n HIS 450 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sh3 s GLY 451 N -3.32 2.91 0.56 -1.41 0.00 -1.26 -4.84 107.32 99.97 1sh3 s GLY 451 Ca 0.31 1.35 0.42 0.00 0.00 0.00 0.00 44.72 46.80 1sh3 s GLY 451 CO 0.19 1.93 1.60 -2.55 0.00 0.00 0.00 173.10 174.28 1sh3 h PRO 452 N 2.32 0.00 0.04 2.90 0.11 -1.94 0.11 132.00 135.53 1sh3 h PRO 452 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sh3 h PRO 452 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1sh3 h PRO 452 CO 0.61 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.25 1sh3 h ALA 453 N 1.05 -0.69 -0.97 -0.75 0.00 -2.00 -3.26 119.26 112.63 1sh3 h ALA 453 Ca 0.74 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.74 1sh3 h ALA 453 Cb 3.16 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 21.42 1sh3 h ALA 453 CO -0.01 -0.73 0.60 0.35 0.00 0.00 0.00 179.25 179.47 1sh3 h PHE 454 N -0.22 1.09 -0.77 0.00 3.57 -1.13 -2.70 116.94 116.79 1sh3 h PHE 454 Ca -0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1sh3 h PHE 454 Cb 0.21 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 1sh3 h PHE 454 CO -0.32 0.43 0.47 -0.92 -2.23 0.00 0.00 178.31 175.74 1sh3 h TYR 455 N 0.96 0.88 -0.53 0.41 3.20 -1.59 -0.97 116.97 119.33 1sh3 h TYR 455 Ca 0.48 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.32 1sh3 h TYR 455 Cb 0.47 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1sh3 h TYR 455 CO -0.01 0.47 0.11 1.03 -1.64 0.00 0.00 178.16 178.11 1sh3 h SER 456 N 0.89 0.83 -0.68 -2.11 0.87 -1.54 -1.75 113.55 110.07 1sh3 h SER 456 Ca 0.33 -0.25 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1sh3 h SER 456 Cb 0.11 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 61.76 1sh3 h SER 456 CO -0.15 0.87 0.27 0.50 -0.53 0.00 0.00 176.83 177.79 1sh3 h LYS 457 N 0.76 0.43 0.14 2.24 3.64 -1.09 -1.55 116.57 121.15 1sh3 h LYS 457 Ca 0.16 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1sh3 h LYS 457 Cb 0.38 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1sh3 h LYS 457 CO 0.01 0.28 -0.07 0.82 -2.27 0.00 0.00 179.45 178.22 1sh3 h ILE 458 N 0.44 0.97 -0.90 2.00 1.08 -1.36 -3.25 117.51 116.49 1sh3 h ILE 458 Ca 0.35 -1.12 0.26 0.00 -0.39 0.00 0.00 64.86 63.97 1sh3 h ILE 458 Cb 0.48 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 1sh3 h ILE 458 CO -0.35 0.24 0.66 -1.28 -0.69 0.00 0.00 178.15 176.73 1sh3 h SER 459 N -0.78 0.00 -0.16 1.72 0.87 -0.79 0.11 113.55 114.51 1sh3 h SER 459 Ca -0.02 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 1sh3 h SER 459 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1sh3 h SER 459 CO 0.03 0.00 -0.40 0.11 -0.53 0.00 0.00 176.83 176.04 1sh3 h LYS 460 N 0.00 0.55 -0.33 2.24 1.57 -1.34 -2.85 116.57 116.42 1sh3 h LYS 460 Ca 0.43 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1sh3 h LYS 460 Cb 1.74 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1sh3 h LYS 460 CO -0.00 1.00 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.46 1sh3 h LEU 461 N 0.20 0.78 -0.26 2.94 3.38 -0.91 -2.72 115.31 118.72 1sh3 h LEU 461 Ca -0.00 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1sh3 h LEU 461 Cb 1.01 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 1sh3 h LEU 461 CO 0.09 1.05 -0.47 0.58 0.09 0.00 0.00 178.44 179.77 1sh3 h VAL 462 N 0.62 0.08 -0.68 1.22 2.07 -1.13 -1.66 116.25 116.77 1sh3 h VAL 462 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1sh3 h VAL 462 Cb 0.88 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1sh3 h VAL 462 CO 0.08 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.49 1sh3 h ILE 463 N -0.45 1.08 -0.48 4.57 2.04 -1.38 -2.00 117.51 120.90 1sh3 h ILE 463 Ca 0.08 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1sh3 h ILE 463 Cb 0.63 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1sh3 h ILE 463 CO -0.49 0.15 -0.14 0.00 0.00 0.00 0.00 178.15 177.66 1sh3 h ALA 464 N 1.30 0.83 0.06 1.87 0.00 -1.28 -0.18 119.26 121.86 1sh3 h ALA 464 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sh3 h ALA 464 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sh3 h ALA 464 CO -0.11 0.65 -0.03 1.49 0.00 0.00 0.00 179.25 181.25 1sh3 h GLU 465 N 0.82 -0.08 0.00 0.00 4.81 -1.09 -2.30 114.58 116.73 1sh3 h GLU 465 Ca 0.12 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1sh3 h GLU 465 Cb 0.69 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1sh3 h GLU 465 CO 0.05 -0.01 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.96 1sh3 h LEU 466 N -0.13 0.00 -0.46 1.64 3.38 -1.18 -2.19 115.31 116.37 1sh3 h LEU 466 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1sh3 h LEU 466 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1sh3 h LEU 466 CO 0.01 0.29 -0.73 0.50 0.09 0.00 0.00 178.44 178.61 1sh3 h LYS 467 N 0.00 0.28 -0.63 1.13 3.11 -0.93 -1.91 116.57 117.62 1sh3 h LYS 467 Ca -0.00 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.56 1sh3 h LYS 467 Cb 0.66 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.92 1sh3 h LYS 467 CO 0.04 0.89 0.23 0.93 -2.81 0.00 0.00 179.45 178.73 1sh3 h GLU 468 N 0.19 0.95 0.00 1.90 4.39 -0.99 -2.72 114.58 118.30 1sh3 h GLU 468 Ca -0.03 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1sh3 h GLU 468 Cb 1.29 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1sh3 h GLU 468 CO 0.12 0.82 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1sh3 n GLY 469 N -0.80 -0.56 2.63 -3.84 0.00 -0.86 -4.84 105.19 96.93 1sh3 n GLY 469 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sh3 n GLY 469 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh3 n GLY 470 N 0.09 0.20 3.14 -0.02 0.00 -1.03 -4.95 105.19 102.62 1sh3 n GLY 470 Ca 0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1sh3 n GLY 470 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sh3 s MET 471 N -1.30 2.84 0.92 1.61 -2.45 -0.73 -5.02 119.30 115.16 1sh3 s MET 471 Ca 0.00 -0.94 -0.11 0.00 -1.25 0.00 0.00 55.69 53.38 1sh3 s MET 471 Cb 0.00 -2.75 0.14 0.00 1.25 0.00 0.00 34.83 33.48 1sh3 s MET 471 CO 0.00 -0.32 1.09 -0.51 1.05 0.00 0.00 175.02 176.34 1sh3 s ASP 472 N 1.27 3.25 -0.12 1.11 1.01 -1.26 -4.29 116.67 117.64 1sh3 s ASP 472 Ca 0.01 1.57 -0.16 0.00 0.71 0.00 0.00 52.55 54.68 1sh3 s ASP 472 Cb -0.15 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1sh3 s ASP 472 CO -0.09 -2.79 0.42 0.12 0.21 0.00 0.00 175.17 173.03 1sh3 s PHE 473 N -2.86 -0.42 -0.71 4.23 5.36 -1.26 -5.08 117.98 117.24 1sh3 s PHE 473 Ca 0.64 0.95 -0.24 0.00 -0.96 0.00 0.00 56.93 57.32 1sh3 s PHE 473 Cb -0.19 0.16 0.06 0.00 -0.34 0.00 0.00 43.02 42.71 1sh3 s PHE 473 CO 0.58 -0.29 1.10 -0.47 -1.46 0.00 0.00 175.22 174.67 1sh3 s TYR 474 N -0.22 2.55 -0.29 10.12 5.04 -1.26 -5.02 117.35 128.28 1sh3 s TYR 474 Ca -0.04 -0.43 -0.13 0.00 -2.44 0.00 0.00 57.07 54.04 1sh3 s TYR 474 Cb -0.03 -4.42 -0.04 0.00 0.35 0.00 0.00 41.96 37.82 1sh3 s TYR 474 CO 0.02 -1.80 0.26 0.08 -1.34 0.00 0.00 175.55 172.77 1sh3 s VAL 475 N 4.61 5.25 0.84 3.14 1.01 -1.26 -5.09 120.40 128.90 1sh3 s VAL 475 Ca 0.28 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1sh3 s VAL 475 Cb -0.13 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1sh3 s VAL 475 CO 0.10 0.16 1.19 -2.84 0.00 0.00 0.00 175.10 173.71 1sh3 s PRO 476 N 1.87 1.54 0.57 2.72 0.02 -1.26 -5.11 135.00 135.36 1sh3 s PRO 476 Ca 0.10 -0.19 0.09 0.00 0.02 0.00 0.00 61.00 61.02 1sh3 s PRO 476 Cb -0.16 -1.97 0.08 0.00 0.02 0.00 0.00 34.50 32.47 1sh3 s PRO 476 CO 0.11 -1.81 0.74 1.03 -0.33 0.00 0.00 177.00 176.74 1sh3 s ARG 477 N -5.61 2.30 0.01 5.54 0.52 -1.26 -5.00 118.95 115.46 1sh3 s ARG 477 Ca 0.66 -1.69 -0.24 0.00 -0.52 0.00 0.00 55.73 53.93 1sh3 s ARG 477 Cb -0.08 -2.57 -0.13 0.00 0.52 0.00 0.00 34.95 32.68 1sh3 s ARG 477 CO 0.49 -0.82 1.06 0.37 0.02 0.00 0.00 175.30 176.42 1sh3 h GLN 478 N 0.26 -0.84 -0.90 3.54 5.75 -1.98 -2.58 115.11 118.36 1sh3 h GLN 478 Ca -0.31 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.41 1sh3 h GLN 478 Cb 1.29 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.96 1sh3 h GLN 478 CO 0.43 -0.56 0.58 0.93 -2.65 0.00 0.00 178.83 177.56 1sh3 h GLU 479 N -1.15 0.60 -0.34 1.69 5.08 -1.98 0.39 114.58 118.88 1sh3 h GLU 479 Ca -0.09 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1sh3 h GLU 479 Cb 0.67 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1sh3 h GLU 479 CO 0.15 0.40 -0.47 -1.35 -1.00 0.00 0.00 179.01 176.74 1sh3 h PRO 480 N 0.62 0.91 -0.07 2.33 0.11 -1.86 -3.05 132.00 131.00 1sh3 h PRO 480 Ca 0.47 -0.53 -0.23 0.00 0.11 0.00 0.00 66.00 65.81 1sh3 h PRO 480 Cb 0.85 0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.02 1sh3 h PRO 480 CO -0.22 1.18 -0.89 1.98 -0.21 0.00 0.00 178.00 179.84 1sh3 h MET 481 N 0.72 0.64 0.13 1.05 1.85 -0.70 -2.26 114.93 116.36 1sh3 h MET 481 Ca 0.04 -0.60 0.02 0.00 -0.61 0.00 0.00 59.70 58.54 1sh3 h MET 481 Cb 1.07 0.15 -0.04 0.00 0.43 0.00 0.00 31.60 33.21 1sh3 h MET 481 CO 0.11 1.21 -0.31 0.35 -0.40 0.00 0.00 176.91 177.87 1sh3 h PHE 482 N 0.40 -0.85 -0.98 1.39 3.57 -0.42 0.40 116.94 120.44 1sh3 h PHE 482 Ca -0.08 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.54 1sh3 h PHE 482 Cb 1.52 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 40.54 1sh3 h PHE 482 CO 0.08 -0.42 0.62 0.00 -2.23 0.00 0.00 178.31 176.36 1sh3 h ARG 483 N -0.54 1.01 -0.41 1.11 3.08 -1.52 0.82 114.38 117.93 1sh3 h ARG 483 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1sh3 h ARG 483 Cb 0.57 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1sh3 h ARG 483 CO -0.17 0.67 0.12 2.35 -1.07 0.00 0.00 179.97 181.86 1sh3 h TRP 484 N 1.04 0.67 0.00 3.04 2.91 -1.13 -1.02 115.95 121.46 1sh3 h TRP 484 Ca 0.46 -0.07 -0.12 0.00 1.13 0.00 0.00 58.89 60.29 1sh3 h TRP 484 Cb 0.35 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 1sh3 h TRP 484 CO -0.01 0.63 -0.56 1.98 -1.03 0.00 0.00 178.44 179.45 1sh3 h MET 485 N 0.52 0.00 0.02 2.65 4.05 0.30 -0.92 114.93 121.54 1sh3 h MET 485 Ca 0.13 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.16 1sh3 h MET 485 Cb 0.28 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.02 1sh3 h MET 485 CO -0.00 0.56 -2.41 0.54 0.23 0.00 0.00 176.91 175.83 1sh3 n ARG 486 N -3.43 0.66 0.00 0.39 5.12 0.25 -4.72 116.66 114.93 1sh3 n ARG 486 Ca 0.00 0.18 0.02 0.00 -1.93 0.00 0.00 57.85 56.13 1sh3 n ARG 486 Cb 0.67 -1.54 0.01 0.00 -1.16 0.00 0.00 32.46 30.44 1sh3 n ARG 486 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1sh3 n PHE 487 N -3.42 0.00 -2.38 -1.55 3.72 -0.44 -5.00 117.46 108.39 1sh3 n PHE 487 Ca -0.45 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.75 1sh3 n PHE 487 Cb 0.98 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.51 1sh3 n PHE 487 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sh3 n SER 488 N -0.01 -5.76 -4.70 4.37 7.64 -0.35 -4.96 113.62 109.84 1sh3 n SER 488 Ca 0.02 -0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1sh3 n SER 488 Cb 0.09 -4.79 -0.08 0.00 -1.01 0.00 0.00 64.21 58.42 1sh3 n SER 488 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh3 s ASP 489 N -2.09 6.24 -0.11 6.43 2.15 -0.86 -4.90 116.67 123.52 1sh3 s ASP 489 Ca 0.00 0.27 0.14 0.00 0.43 0.00 0.00 52.55 53.39 1sh3 s ASP 489 Cb 0.00 -2.12 0.33 0.00 -0.30 0.00 0.00 42.92 40.83 1sh3 s ASP 489 CO 0.00 0.10 1.23 0.18 -0.17 0.00 0.00 175.17 176.51 1sh3 n LEU 490 N 3.88 2.89 0.14 -1.34 4.77 -1.26 -2.66 117.00 123.42 1sh3 n LEU 490 Ca -0.14 -2.78 0.04 0.00 -0.03 0.00 0.00 56.01 53.10 1sh3 n LEU 490 Cb 0.52 -0.38 0.45 0.00 -2.33 0.00 0.00 43.42 41.68 1sh3 n LEU 490 CO 0.37 0.67 0.96 0.77 -1.33 0.00 0.00 177.39 178.83 1sh3 h SER 491 N 0.85 0.19 -0.44 -1.43 4.64 -1.95 -2.54 113.55 112.86 1sh3 h SER 491 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sh3 h SER 491 Cb 1.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1sh3 h SER 491 CO 0.08 0.28 0.00 0.35 -0.87 0.00 0.00 176.83 176.67 1sh3 n THR 492 N -4.36 1.56 -2.67 2.95 -2.24 -1.26 -4.99 114.28 103.27 1sh3 n THR 492 Ca -0.01 -1.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.07 1sh3 n THR 492 Cb 0.20 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1sh3 n THR 492 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1sh3 s TRP 493 N -1.69 3.06 -0.03 4.78 -0.11 -0.96 -4.77 118.94 119.23 1sh3 s TRP 493 Ca 0.38 0.99 -0.30 0.00 1.22 0.00 0.00 56.10 58.39 1sh3 s TRP 493 Cb 0.25 -3.84 -0.03 0.00 -1.50 0.00 0.00 33.47 28.35 1sh3 s TRP 493 CO 0.18 -0.89 1.10 -1.21 -4.62 0.00 0.00 176.95 171.51 1sh3 s GLU 494 N 3.78 4.44 1.13 5.86 0.41 -1.26 -4.91 118.70 128.14 1sh3 s GLU 494 Ca 0.44 1.56 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 1sh3 s GLU 494 Cb -0.11 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1sh3 s GLU 494 CO 0.20 -0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.10 1sh3 n GLY 495 N 3.15 -1.66 3.57 -1.39 0.00 -1.26 -4.90 105.19 102.69 1sh3 n GLY 495 Ca 0.09 -1.62 -0.55 0.00 0.00 0.00 0.00 46.02 43.95 1sh3 n GLY 495 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh3 n ASP 496 N 0.01 2.21 0.26 1.61 -0.08 -1.26 -4.86 116.55 114.44 1sh3 n ASP 496 Ca 0.00 0.78 0.12 0.00 -1.51 0.00 0.00 54.79 54.18 1sh3 n ASP 496 Cb 0.00 -1.18 0.68 0.00 2.34 0.00 0.00 41.12 42.96 1sh3 n ASP 496 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1sh3 h ARG 497 N 9.50 0.00 0.00 -0.67 3.08 -1.92 -2.78 114.38 121.60 1sh3 h ARG 497 Ca -0.36 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 1sh3 h ARG 497 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1sh3 h ARG 497 CO 1.00 0.14 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.98 1sh3 h ASN 498 N 0.00 0.00 0.88 7.04 2.35 -2.01 -3.05 115.58 120.79 1sh3 h ASN 498 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sh3 h ASN 498 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1sh3 h ASN 498 CO 0.02 0.14 0.00 0.18 -1.65 0.00 0.00 177.43 176.12 1sh3 n LEU 499 N -3.28 0.49 -4.69 1.61 4.77 -1.05 -4.77 117.00 110.08 1sh3 n LEU 499 Ca 0.00 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 1sh3 n LEU 499 Cb 0.39 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1sh3 n LEU 499 CO 0.31 -0.35 1.39 0.00 -1.33 0.00 0.00 177.39 177.42 1sh3 s ALA 500 N -3.17 3.74 0.15 -1.18 0.00 -1.16 -4.91 121.76 115.24 1sh3 s ALA 500 Ca 0.07 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1sh3 s ALA 500 Cb 0.11 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1sh3 s ALA 500 CO 0.43 -1.13 1.25 -1.25 0.00 0.00 0.00 175.76 175.06 1sh3 s PRO 501 N 2.49 4.43 0.36 0.00 0.04 -1.26 -5.05 135.00 136.01 1sh3 s PRO 501 Ca 0.77 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.80 1sh3 s PRO 501 Cb -0.44 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1sh3 s PRO 501 CO 0.34 -0.20 0.45 0.45 0.04 0.00 0.00 177.00 178.07 1sh3 s SER 502 N 0.50 5.69 -0.13 6.66 0.15 -1.26 -4.99 113.70 120.32 1sh3 s SER 502 Ca 0.56 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 1sh3 s SER 502 Cb -0.33 -1.00 0.06 0.00 -1.71 0.00 0.00 66.02 63.03 1sh3 s SER 502 CO 0.34 -0.50 0.12 -0.36 1.20 0.00 0.00 173.24 174.04 1sh3 s PHE 503 N -2.26 0.01 0.77 3.44 0.40 -1.26 -4.97 117.98 114.11 1sh3 s PHE 503 Ca 0.47 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.77 1sh3 s PHE 503 Cb -0.08 -0.50 0.06 0.00 0.51 0.00 0.00 43.02 43.00 1sh3 s PHE 503 CO 0.30 -0.40 1.13 0.14 0.70 0.00 0.00 175.22 177.09 1sh3 s VAL 504 N 2.21 2.80 0.00 -0.44 -7.23 -1.26 -4.99 120.40 111.48 1sh3 s VAL 504 Ca 0.04 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1sh3 s VAL 504 Cb -0.14 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1sh3 s VAL 504 CO -0.07 -0.34 0.00 0.59 -0.31 0.00 0.00 175.10 174.97 1sh3 n ASN 505 N -3.25 -0.45 -4.02 4.85 4.13 -1.26 -4.62 115.26 110.63 1sh3 n ASN 505 Ca 0.07 -0.36 -0.30 0.00 1.68 0.00 0.00 54.58 55.68 1sh3 n ASN 505 Cb 0.58 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.81 1sh3 n ASN 505 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1sh3 n GLU 506 N -0.81 -3.70 0.00 3.52 4.71 -1.22 -5.05 120.64 118.10 1sh3 n GLU 506 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1sh3 n GLU 506 Cb 0.00 -4.91 0.00 0.00 -1.01 0.00 0.00 31.44 25.52 1sh3 n GLU 506 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97