#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh3 s THR 7 N 0.00 2.58 -0.36 2.61 -1.32 -1.26 -2.56 115.64 115.32 1sh3 s THR 7 Ca 0.00 -1.88 0.03 0.00 -1.21 0.00 0.00 61.69 58.63 1sh3 s THR 7 Cb 0.00 -2.23 0.11 0.00 -1.51 0.00 0.00 72.50 68.86 1sh3 s THR 7 CO 0.00 -0.08 0.10 -0.47 -2.21 0.00 0.00 174.62 171.97 1sh3 s TYR 8 N -1.58 3.05 -1.39 9.09 5.04 0.88 -4.76 117.35 127.69 1sh3 s TYR 8 Ca 0.21 -2.68 -0.03 0.00 -2.44 0.00 0.00 57.07 52.13 1sh3 s TYR 8 Cb -0.09 -2.54 0.02 0.00 0.35 0.00 0.00 41.96 39.70 1sh3 s TYR 8 CO 0.11 -0.89 0.27 0.00 -1.34 0.00 0.00 175.55 173.69 1sh3 n GLY 10 N -1.12 0.58 3.59 0.00 0.00 -1.26 -4.40 105.19 102.57 1sh3 n GLY 10 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.29 3.29 -0.00 4.61 0.00 -0.30 -4.87 121.76 122.18 1sh3 s ALA 11 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1sh3 s ALA 11 Cb 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 1sh3 s ALA 11 CO 0.00 0.13 1.96 -2.30 0.00 0.00 0.00 175.76 175.55 1sh3 n PRO 12 N 3.65 2.68 -2.21 0.00 -0.02 -1.25 -0.08 135.00 137.76 1sh3 n PRO 12 Ca -0.17 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1sh3 n PRO 12 Cb 0.52 -2.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.05 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 4.47 3.64 -0.10 4.25 1.01 -1.06 -2.16 121.20 131.24 1sh3 s ILE 13 Ca 0.90 1.05 0.01 0.00 0.00 0.00 0.00 60.65 62.61 1sh3 s ILE 13 Cb -0.50 -3.68 -0.25 0.00 0.01 0.00 0.00 42.46 38.05 1sh3 s ILE 13 CO 0.45 0.01 0.43 0.18 0.00 0.00 0.00 174.94 176.01 1sh3 n LEU 14 N 5.17 2.00 0.00 2.97 4.77 0.78 -5.00 117.00 127.68 1sh3 n LEU 14 Ca 0.13 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1sh3 n LEU 14 Cb 0.43 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1sh3 n LEU 14 CO 0.59 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1sh3 n GLY 15 N 1.85 -1.04 3.72 -0.72 0.00 -1.22 -4.98 105.19 102.79 1sh3 n GLY 15 Ca -0.27 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1sh3 n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sh3 n PRO 16 N 0.00 1.72 -2.29 1.61 -0.02 -1.26 0.11 135.00 134.87 1sh3 n PRO 16 Ca 0.00 0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 61.85 1sh3 n PRO 16 Cb 0.00 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.14 1sh3 n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sh3 s GLY 17 N -0.79 1.76 0.00 -1.23 0.00 -0.91 -4.01 107.32 102.14 1sh3 s GLY 17 Ca 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1sh3 s GLY 17 CO 0.52 -0.80 0.75 -1.26 0.00 0.00 0.00 173.10 172.32 1sh3 n SER 18 N -3.17 0.00 -4.86 1.64 2.88 -1.19 -4.75 113.62 104.17 1sh3 n SER 18 Ca 0.14 -1.56 -0.35 0.00 -1.33 0.00 0.00 58.87 55.77 1sh3 n SER 18 Cb 0.60 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1sh3 n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sh3 s ALA 19 N 0.00 3.68 0.76 -1.46 0.00 -1.26 -5.05 121.76 118.43 1sh3 s ALA 19 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1sh3 s ALA 19 Cb 0.00 -2.36 0.05 0.00 0.00 0.00 0.00 23.12 20.82 1sh3 s ALA 19 CO 0.00 0.53 1.20 -1.25 0.00 0.00 0.00 175.76 176.24 1sh3 s PRO 20 N -1.87 1.97 0.39 0.00 0.04 -1.26 -4.59 135.00 129.68 1sh3 s PRO 20 Ca 0.34 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1sh3 s PRO 20 Cb -0.14 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1sh3 s PRO 20 CO 0.18 -1.96 0.21 1.63 0.04 0.00 0.00 177.00 177.10 1sh3 n LYS 21 N -2.94 0.10 -2.29 4.56 5.02 -1.26 -4.93 118.16 116.42 1sh3 n LYS 21 Ca 0.13 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 56.07 1sh3 n LYS 21 Cb 0.50 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 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 3.74 4.33 0.27 -0.35 2.01 -1.26 -4.96 118.68 122.47 1sh3 s LEU 22 Ca 0.60 2.41 -0.30 0.00 0.01 0.00 0.00 54.13 56.85 1sh3 s LEU 22 Cb -0.66 -3.84 -0.11 0.00 0.01 0.00 0.00 46.19 41.58 1sh3 s LEU 22 CO 0.61 -0.52 1.61 -0.55 1.01 0.00 0.00 176.35 178.52 1sh3 s SER 23 N -0.92 6.39 -0.33 2.29 0.15 -1.26 -4.90 113.70 115.11 1sh3 s SER 23 Ca 0.52 2.92 0.08 0.00 0.70 0.00 0.00 55.95 60.17 1sh3 s SER 23 Cb -0.33 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 61.95 1sh3 s SER 23 CO 0.43 -0.92 1.65 0.35 1.20 0.00 0.00 173.24 175.95 1sh3 n THR 24 N 2.60 2.78 -4.69 6.45 -2.24 -1.26 -4.88 114.28 113.05 1sh3 n THR 24 Ca 0.10 -2.22 -0.28 0.00 -2.27 0.00 0.00 64.05 59.38 1sh3 n THR 24 Cb 0.37 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.17 1.54 0.25 -0.78 1.02 -1.26 -4.59 119.74 112.74 1sh3 s LYS 25 Ca 0.50 -1.09 0.08 0.00 0.02 0.00 0.00 55.97 55.48 1sh3 s LYS 25 Cb 0.43 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1sh3 s LYS 25 CO 0.06 0.44 0.07 -0.08 -0.92 0.00 0.00 175.35 174.93 1sh3 s THR 26 N -0.87 3.88 -0.75 2.17 -1.32 -0.60 -4.90 115.64 113.24 1sh3 s THR 26 Ca 0.10 -1.65 0.24 0.00 -1.21 0.00 0.00 61.69 59.17 1sh3 s THR 26 Cb -0.10 -3.07 -0.05 0.00 -1.51 0.00 0.00 72.50 67.78 1sh3 s THR 26 CO 0.03 -0.33 1.20 2.29 -2.21 0.00 0.00 174.62 175.60 1sh3 n LYS 27 N -0.90 0.19 -3.01 7.08 2.85 -1.26 -2.04 118.16 121.07 1sh3 n LYS 27 Ca -0.07 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.81 1sh3 n LYS 27 Cb 0.58 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.32 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 -3.12 3.75 0.13 5.58 0.08 -1.26 -0.29 117.98 122.84 1sh3 s PHE 28 Ca 0.07 1.45 0.10 0.00 0.12 0.00 0.00 56.93 58.67 1sh3 s PHE 28 Cb 0.15 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 1sh3 s PHE 28 CO 0.76 0.31 -0.24 -1.58 -0.10 0.00 0.00 175.22 174.37 1sh3 s TRP 29 N -0.20 2.12 0.14 0.36 0.52 0.12 -4.64 118.94 117.36 1sh3 s TRP 29 Ca 0.37 -0.39 -0.31 0.00 0.02 0.00 0.00 56.10 55.78 1sh3 s TRP 29 Cb -0.20 -1.13 -0.09 0.00 -1.15 0.00 0.00 33.47 30.89 1sh3 s TRP 29 CO 0.23 0.32 1.54 1.03 0.02 0.00 0.00 176.95 180.08 1sh3 s ARG 30 N -2.13 4.24 0.49 4.98 1.81 -1.11 -1.08 118.95 126.14 1sh3 s ARG 30 Ca 0.13 2.30 0.28 0.00 -1.72 0.00 0.00 55.73 56.71 1sh3 s ARG 30 Cb -0.09 -3.22 1.11 0.00 -0.45 0.00 0.00 34.95 32.30 1sh3 s ARG 30 CO 0.06 -0.58 1.90 0.66 -0.68 0.00 0.00 175.30 176.66 1sh3 h SER 31 N 6.94 0.00 -1.03 0.23 4.64 -0.39 -0.86 113.55 123.09 1sh3 h SER 31 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1sh3 h SER 31 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sh3 h SER 31 CO 0.91 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 175.46 1sh3 n SER 32 N -3.31 0.00 -0.85 4.97 3.41 -1.26 -4.53 113.62 112.05 1sh3 n SER 32 Ca 0.00 -0.85 0.07 0.00 -0.26 0.00 0.00 58.87 57.84 1sh3 n SER 32 Cb 0.37 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.65 -2.06 6.66 -2.24 -1.26 -4.86 114.28 111.17 1sh3 n THR 33 Ca 0.00 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 1sh3 n THR 33 Cb 0.00 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1sh3 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh3 s ALA 34 N -1.43 3.54 0.21 6.98 0.00 -1.26 -4.96 121.76 124.84 1sh3 s ALA 34 Ca 0.30 1.30 -0.32 0.00 0.00 0.00 0.00 51.96 53.24 1sh3 s ALA 34 Cb 0.16 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1sh3 s ALA 34 CO 0.20 -0.71 1.64 -2.30 0.00 0.00 0.00 175.76 174.59 1sh3 n PRO 35 N 1.26 2.54 -2.25 0.00 -0.02 -1.26 -4.94 135.00 130.33 1sh3 n PRO 35 Ca 0.02 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 1sh3 n PRO 35 Cb 0.41 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 1sh3 n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sh3 s LEU 36 N 0.75 3.63 0.19 2.45 2.96 -1.26 -4.97 118.68 122.43 1sh3 s LEU 36 Ca 0.74 1.06 -0.33 0.00 -0.22 0.00 0.00 54.13 55.37 1sh3 s LEU 36 Cb -0.56 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.45 1sh3 s LEU 36 CO 0.38 -1.44 1.45 -2.65 -1.32 0.00 0.00 176.35 172.77 1sh3 n PRO 37 N 8.03 1.93 -1.65 0.98 -0.02 -1.26 -4.84 135.00 138.17 1sh3 n PRO 37 Ca 0.18 0.69 -0.51 0.00 -2.02 0.00 0.00 63.50 61.84 1sh3 n PRO 37 Cb 0.47 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1sh3 n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sh3 n PRO 38 N 2.61 1.56 -0.47 0.52 -0.02 -1.26 -1.59 135.00 136.35 1sh3 n PRO 38 Ca 0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1sh3 n PRO 38 Cb 0.29 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.36 0.73 3.75 -1.23 0.00 -1.26 -5.05 105.19 105.50 1sh3 n GLY 39 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.89 3.08 0.48 2.61 2.01 -0.62 -4.84 115.64 115.47 1sh3 s THR 40 Ca 0.00 0.94 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 1sh3 s THR 40 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 1sh3 s THR 40 CO 0.00 0.16 1.05 -1.22 -0.69 0.00 0.00 174.62 173.92 1sh3 n TYR 41 N 2.16 1.26 -4.38 4.92 4.02 -1.26 -4.70 117.16 119.18 1sh3 n TYR 41 Ca 0.05 0.51 -0.27 0.00 -0.01 0.00 0.00 57.90 58.18 1sh3 n TYR 41 Cb 0.42 -2.23 -0.09 0.00 -0.02 0.00 0.00 39.34 37.43 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 -2.27 2.11 0.32 -0.72 2.02 -0.72 -4.81 118.70 114.61 1sh3 s GLU 42 Ca 0.66 -2.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.36 1sh3 s GLU 42 Cb -0.50 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 31.82 1sh3 s GLU 42 CO 0.54 -0.12 1.37 -2.14 0.02 0.00 0.00 175.26 174.93 1sh3 s PRO 43 N -3.83 4.30 0.77 0.39 0.02 -1.26 -0.00 135.00 135.38 1sh3 s PRO 43 Ca 0.36 2.29 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 1sh3 s PRO 43 Cb 0.06 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 1sh3 s PRO 43 CO 0.19 -0.30 0.58 0.00 -0.33 0.00 0.00 177.00 177.15 1sh3 n ALA 44 N 1.16 -1.52 -1.49 -1.55 0.00 0.28 -4.82 120.51 112.57 1sh3 n ALA 44 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1sh3 n ALA 44 Cb 0.41 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.66 0.00 -0.09 0.00 9.36 -1.26 -4.92 117.16 117.59 1sh3 n TYR 45 Ca 0.10 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.96 1sh3 n TYR 45 Cb 0.51 -2.06 0.00 0.00 -0.63 0.00 0.00 39.34 37.16 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 1.20 1.44 0.00 2.98 4.77 -1.26 -5.04 117.00 121.09 1sh3 n LEU 46 Ca 0.11 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1sh3 n LEU 46 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1sh3 n LEU 46 CO 0.56 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1sh3 n GLY 47 N -0.26 -0.07 0.37 -0.72 0.00 -1.26 -4.41 105.19 98.83 1sh3 n GLY 47 Ca 0.00 -2.28 0.11 0.00 0.00 0.00 0.00 46.02 43.86 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 0.98 -3.45 -0.02 0.00 -1.84 -1.46 103.07 97.28 1sh3 h GLY 48 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1sh3 h GLY 48 CO 0.00 0.12 0.15 0.28 0.00 0.00 0.00 176.54 177.08 1sh3 n LYS 49 N -4.51 3.98 -1.69 4.80 5.02 -1.26 -4.35 118.16 120.14 1sh3 n LYS 49 Ca 0.15 -2.84 -0.44 0.00 -2.02 0.00 0.00 58.31 53.16 1sh3 n LYS 49 Cb 0.42 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 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 0.18 3.83 0.32 4.39 -0.08 -0.55 -4.85 116.55 119.79 1sh3 n ASP 50 Ca 0.33 1.01 0.21 0.00 -1.51 0.00 0.00 54.79 54.83 1sh3 n ASP 50 Cb 1.23 -1.51 1.10 0.00 2.34 0.00 0.00 41.12 44.27 1sh3 n ASP 50 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sh3 h PRO 51 N 8.00 0.00 0.00 -0.67 0.11 -1.91 -2.58 132.00 134.95 1sh3 h PRO 51 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sh3 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1sh3 h PRO 51 CO 0.94 0.00 -1.00 0.54 -0.21 0.00 0.00 178.00 178.27 1sh3 n ARG 52 N -3.06 0.23 -3.80 1.05 1.74 -1.26 -4.86 116.66 106.71 1sh3 n ARG 52 Ca -0.02 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 1sh3 n ARG 52 Cb 0.12 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.16 0.66 0.00 1.55 1.01 -0.97 -5.00 120.40 114.49 1sh3 s VAL 53 Ca 0.05 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1sh3 s VAL 53 Cb 0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1sh3 s VAL 53 CO 0.80 0.08 0.88 -1.59 0.00 0.00 0.00 175.10 175.28 1sh3 s LYS 54 N 1.83 4.54 -1.45 2.72 0.00 -1.26 -4.27 119.74 121.84 1sh3 s LYS 54 Ca 0.02 1.25 -0.10 0.00 0.00 0.00 0.00 55.97 57.14 1sh3 s LYS 54 Cb -0.15 -3.44 0.04 0.00 0.00 0.00 0.00 37.83 34.28 1sh3 s LYS 54 CO -0.07 0.04 0.97 0.41 0.00 0.00 0.00 175.35 176.71 1sh3 n GLY 55 N 2.83 -0.52 3.78 0.59 0.00 -1.26 -5.00 105.19 105.60 1sh3 n GLY 55 Ca 0.03 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.77 -1.09 3.75 -0.02 0.00 -1.26 -5.03 105.19 99.77 1sh3 n GLY 56 Ca -0.00 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 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 -5.69 2.66 0.74 1.61 0.04 -1.26 -4.68 135.00 128.41 1sh3 s PRO 57 Ca 0.72 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 1sh3 s PRO 57 Cb -0.02 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1sh3 s PRO 57 CO 0.50 -1.39 1.08 -1.54 0.04 0.00 0.00 177.00 175.68 1sh3 s SER 58 N -2.26 4.87 0.23 6.66 1.04 -1.26 -4.11 113.70 118.88 1sh3 s SER 58 Ca 0.71 1.70 -0.07 0.00 0.48 0.00 0.00 55.95 58.76 1sh3 s SER 58 Cb -0.24 -2.48 0.21 0.00 0.10 0.00 0.00 66.02 63.60 1sh3 s SER 58 CO 0.41 -1.78 1.86 -0.07 0.98 0.00 0.00 173.24 174.64 1sh3 h LEU 59 N -0.95 1.10 -1.30 2.42 3.38 -1.94 -0.95 115.31 117.07 1sh3 h LEU 59 Ca -0.44 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1sh3 h LEU 59 Cb 1.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1sh3 h LEU 59 CO 0.54 0.87 0.13 1.56 0.09 0.00 0.00 178.44 181.63 1sh3 h GLN 60 N 1.25 0.61 -0.19 1.13 7.50 -1.97 0.14 115.11 123.57 1sh3 h GLN 60 Ca 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 59.37 1sh3 h GLN 60 Cb -0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 1sh3 h GLN 60 CO -0.05 0.54 0.09 1.96 -1.50 0.00 0.00 178.83 179.86 1sh3 h GLN 61 N 0.61 0.27 -0.67 1.46 1.08 -1.82 -1.21 115.11 114.83 1sh3 h GLN 61 Ca 0.14 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1sh3 h GLN 61 Cb 0.18 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1sh3 h GLN 61 CO -0.01 0.31 0.32 0.28 -0.95 0.00 0.00 178.83 178.78 1sh3 h VAL 62 N 0.17 1.22 -0.42 -0.54 2.07 -0.08 -2.57 116.25 116.10 1sh3 h VAL 62 Ca 0.06 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 1sh3 h VAL 62 Cb 0.13 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1sh3 h VAL 62 CO -0.01 0.26 -0.28 -0.03 0.02 0.00 0.00 177.57 177.53 1sh3 h MET 63 N 0.95 0.89 -0.52 1.57 1.85 -0.60 -2.91 114.93 116.17 1sh3 h MET 63 Ca 0.23 -0.41 0.10 0.00 -0.61 0.00 0.00 59.70 59.02 1sh3 h MET 63 Cb 0.11 -0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.03 1sh3 h MET 63 CO -0.03 1.06 -0.06 0.00 -0.40 0.00 0.00 176.91 177.48 1sh3 h ARG 64 N 0.76 0.06 0.00 0.39 3.08 -0.82 -1.48 114.38 116.37 1sh3 h ARG 64 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1sh3 h ARG 64 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1sh3 h ARG 64 CO 0.07 0.04 0.04 -0.44 -1.07 0.00 0.00 179.97 178.61 1sh3 h ASP 65 N 0.06 0.00 0.14 7.04 3.32 -1.29 0.62 116.42 126.32 1sh3 h ASP 65 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1sh3 h ASP 65 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1sh3 h ASP 65 CO -0.48 0.00 -1.24 0.00 -1.72 0.00 0.00 179.24 175.80 1sh3 n GLN 66 N -2.56 0.25 0.06 3.56 1.13 -0.59 -4.38 117.38 114.85 1sh3 n GLN 66 Ca -0.02 -0.05 -0.21 0.00 -1.94 0.00 0.00 57.00 54.78 1sh3 n GLN 66 Cb 0.09 -1.53 -0.15 0.00 0.11 0.00 0.00 30.24 28.76 1sh3 n GLN 66 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1sh3 h LEU 67 N 0.00 0.51 -0.85 1.08 3.38 -0.54 -3.39 115.31 115.51 1sh3 h LEU 67 Ca 0.00 -0.79 0.13 0.00 0.09 0.00 0.00 57.88 57.30 1sh3 h LEU 67 Cb 0.69 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1sh3 h LEU 67 CO 0.00 1.67 0.46 0.11 0.09 0.00 0.00 178.44 180.77 1sh3 h LYS 68 N 0.09 0.68 -0.62 1.13 1.57 -1.74 -1.18 116.57 116.50 1sh3 h LYS 68 Ca -0.32 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1sh3 h LYS 68 Cb 2.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 34.20 1sh3 h LYS 68 CO 0.16 0.45 0.48 -1.35 -0.57 0.00 0.00 179.45 178.62 1sh3 h PRO 69 N 0.70 0.00 0.00 3.15 0.11 -1.84 -2.30 132.00 131.82 1sh3 h PRO 69 Ca 0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.47 1sh3 h PRO 69 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1sh3 h PRO 69 CO -0.32 0.00 -0.39 0.74 -0.21 0.00 0.00 178.00 177.82 1sh3 h PHE 70 N 0.00 0.00 0.00 0.65 -1.00 -1.44 -3.30 116.94 111.84 1sh3 h PHE 70 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1sh3 h PHE 70 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 1sh3 h PHE 70 CO 0.00 0.39 -0.90 0.25 -1.61 0.00 0.00 178.31 176.44 1sh3 n THR 71 N -3.20 0.01 -1.48 -1.55 -2.24 -0.88 -4.36 114.28 100.58 1sh3 n THR 71 Ca 0.02 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 1sh3 n THR 71 Cb 0.69 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.73 1sh3 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sh3 s GLU 72 N -3.03 2.30 0.47 -0.78 2.56 -1.10 -4.97 118.70 114.15 1sh3 s GLU 72 Ca 0.08 1.57 -0.22 0.00 0.00 0.00 0.00 54.97 56.40 1sh3 s GLU 72 Cb 0.16 -1.87 -0.10 0.00 2.00 0.00 0.00 34.13 34.31 1sh3 s GLU 72 CO 0.82 -1.67 0.70 -2.30 -0.56 0.00 0.00 175.26 172.25 1sh3 n PRO 73 N -2.78 0.79 -1.80 4.30 -0.02 -1.26 -5.00 135.00 129.24 1sh3 n PRO 73 Ca 0.12 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 1sh3 n PRO 73 Cb 0.51 -1.75 0.17 0.00 -0.02 0.00 0.00 33.50 32.41 1sh3 n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sh3 s ARG 74 N -1.91 0.75 0.78 -0.52 1.81 -1.26 -5.09 118.95 113.52 1sh3 s ARG 74 Ca 0.65 -0.20 -0.08 0.00 -1.72 0.00 0.00 55.73 54.38 1sh3 s ARG 74 Cb -0.54 -1.84 0.12 0.00 -0.45 0.00 0.00 34.95 32.24 1sh3 s ARG 74 CO 0.56 -2.37 1.10 0.20 -0.68 0.00 0.00 175.30 174.11 1sh3 s GLY 75 N -4.64 1.73 0.20 -3.53 0.00 -1.26 -4.91 107.32 94.91 1sh3 s GLY 75 Ca 0.70 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.92 1sh3 s GLY 75 CO 0.53 -0.65 1.41 1.25 0.00 0.00 0.00 173.10 175.63 1sh3 s LYS 76 N -5.41 4.31 0.76 2.90 2.47 0.28 -4.77 119.74 120.27 1sh3 s LYS 76 Ca 0.66 2.19 -0.13 0.00 -1.56 0.00 0.00 55.97 57.13 1sh3 s LYS 76 Cb -0.07 -3.17 0.06 0.00 -1.46 0.00 0.00 37.83 33.19 1sh3 s LYS 76 CO 0.47 -0.40 1.16 -1.25 0.16 0.00 0.00 175.35 175.49 1sh3 s PRO 77 N 0.17 2.06 0.69 4.03 0.04 -1.26 -3.93 135.00 136.81 1sh3 s PRO 77 Ca 0.61 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1sh3 s PRO 77 Cb -0.40 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1sh3 s PRO 77 CO 0.38 -1.85 1.25 -2.14 0.04 0.00 0.00 177.00 174.68 1sh3 s PRO 78 N -4.26 2.31 -0.04 0.56 0.02 -1.26 -4.87 135.00 127.45 1sh3 s PRO 78 Ca 0.69 1.92 -0.35 0.00 0.02 0.00 0.00 61.00 63.28 1sh3 s PRO 78 Cb -0.24 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 1sh3 s PRO 78 CO 0.49 -1.74 1.76 1.17 -0.33 0.00 0.00 177.00 178.34 1sh3 n LYS 79 N -2.33 1.97 -0.34 5.54 4.81 -1.26 -4.75 118.16 121.79 1sh3 n LYS 79 Ca 0.15 0.72 0.17 0.00 -0.87 0.00 0.00 58.31 58.47 1sh3 n LYS 79 Cb 0.49 -2.51 0.38 0.00 0.02 0.00 0.00 35.03 33.41 1sh3 n LYS 79 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1sh3 h PRO 80 N 7.86 0.60 -0.37 1.64 0.11 -2.00 0.33 132.00 140.17 1sh3 h PRO 80 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1sh3 h PRO 80 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1sh3 h PRO 80 CO 0.92 0.40 0.14 0.66 -0.21 0.00 0.00 178.00 179.92 1sh3 h SER 81 N 0.62 0.47 0.41 -2.05 4.64 -2.00 -2.72 113.55 112.93 1sh3 h SER 81 Ca 0.61 -0.05 -0.31 0.00 -0.47 0.00 0.00 61.79 61.58 1sh3 h SER 81 Cb 1.14 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1sh3 h SER 81 CO -0.41 0.44 -1.78 1.33 -0.87 0.00 0.00 176.83 175.53 1sh3 n VAL 82 N -4.38 1.64 -0.27 0.95 0.24 0.10 -1.95 118.33 114.66 1sh3 n VAL 82 Ca 0.02 -0.77 -0.01 0.00 -2.04 0.00 0.00 64.34 61.54 1sh3 n VAL 82 Cb 0.14 -1.16 0.17 0.00 -1.47 0.00 0.00 33.84 31.53 1sh3 n VAL 82 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sh3 h LEU 83 N 0.01 0.98 -0.17 1.34 5.85 -1.18 0.17 115.31 122.31 1sh3 h LEU 83 Ca -0.32 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1sh3 h LEU 83 Cb 2.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1sh3 h LEU 83 CO 0.08 0.75 0.08 -0.08 -0.34 0.00 0.00 178.44 178.94 1sh3 h GLU 84 N 1.12 0.24 -0.76 1.25 4.57 -1.54 -1.18 114.58 118.28 1sh3 h GLU 84 Ca 0.29 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.47 1sh3 h GLU 84 Cb -0.04 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1sh3 h GLU 84 CO -0.05 0.26 0.49 0.00 -1.18 0.00 0.00 179.01 178.52 1sh3 h ALA 85 N 0.96 0.99 -0.26 2.92 0.00 -0.72 -1.82 119.26 121.33 1sh3 h ALA 85 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sh3 h ALA 85 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1sh3 h ALA 85 CO -0.01 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.64 1sh3 h ALA 86 N 1.31 0.33 -0.49 0.00 0.00 -0.58 -1.94 119.26 117.90 1sh3 h ALA 86 Ca 0.30 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1sh3 h ALA 86 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1sh3 h ALA 86 CO -0.10 -0.06 0.28 -0.22 0.00 0.00 0.00 179.25 179.15 1sh3 h LYS 87 N 0.26 0.54 -0.61 0.00 3.64 -0.96 -1.46 116.57 117.98 1sh3 h LYS 87 Ca 0.09 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1sh3 h LYS 87 Cb 0.19 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1sh3 h LYS 87 CO -0.01 0.36 0.19 0.87 -2.27 0.00 0.00 179.45 178.59 1sh3 h LYS 88 N 0.56 0.92 -0.33 1.90 1.57 -1.26 -0.53 116.57 119.40 1sh3 h LYS 88 Ca 0.20 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1sh3 h LYS 88 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1sh3 h LYS 88 CO -0.10 0.79 0.21 1.15 -0.57 0.00 0.00 179.45 180.93 1sh3 h THR 89 N 0.89 1.06 -0.32 -0.16 2.02 -0.94 -0.53 112.91 114.94 1sh3 h THR 89 Ca 0.20 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1sh3 h THR 89 Cb 0.26 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1sh3 h THR 89 CO -0.01 0.08 0.18 0.40 0.37 0.00 0.00 175.52 176.54 1sh3 h ILE 90 N 0.42 1.13 -0.39 3.11 2.04 -0.49 -0.84 117.51 122.49 1sh3 h ILE 90 Ca 0.13 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1sh3 h ILE 90 Cb -0.02 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1sh3 h ILE 90 CO -0.04 0.13 0.11 0.40 0.00 0.00 0.00 178.15 178.74 1sh3 h ILE 91 N 0.40 0.84 -0.24 -0.67 2.04 -1.02 0.11 117.51 118.96 1sh3 h ILE 91 Ca 0.11 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1sh3 h ILE 91 Cb 0.05 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1sh3 h ILE 91 CO -0.02 0.04 -0.40 -1.13 0.00 0.00 0.00 178.15 176.65 1sh3 h ASN 92 N 0.25 -1.27 -0.05 1.72 -0.73 -0.37 0.67 115.58 115.79 1sh3 h ASN 92 Ca 0.18 0.18 0.02 0.00 1.87 0.00 0.00 56.30 58.56 1sh3 h ASN 92 Cb 0.20 0.54 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1sh3 h ASN 92 CO -0.22 -0.39 -0.06 0.58 -0.37 0.00 0.00 177.43 176.98 1sh3 h VAL 93 N -0.40 0.83 -0.32 2.57 2.07 -0.55 -0.77 116.25 119.68 1sh3 h VAL 93 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1sh3 h VAL 93 Cb 0.59 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1sh3 h VAL 93 CO -0.46 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.14 1sh3 h LEU 94 N -0.08 0.04 -1.59 2.57 3.38 -0.36 -0.75 115.31 118.53 1sh3 h LEU 94 Ca 0.04 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.26 1sh3 h LEU 94 Cb 0.14 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1sh3 h LEU 94 CO -0.10 0.06 0.58 -0.08 0.09 0.00 0.00 178.44 178.98 1sh3 h GLU 95 N 0.20 0.34 -0.00 1.13 4.81 0.88 -0.63 114.58 121.31 1sh3 h GLU 95 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1sh3 h GLU 95 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1sh3 h GLU 95 CO -0.18 0.22 -0.05 1.04 -0.73 0.00 0.00 179.01 179.32 1sh3 n GLN 96 N -4.47 0.49 0.01 1.92 1.13 -0.31 -4.57 117.38 111.57 1sh3 n GLN 96 Ca 0.18 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1sh3 n GLN 96 Cb 0.69 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.54 1sh3 n GLN 96 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1sh3 n THR 97 N -1.19 0.08 -3.47 5.09 -1.04 -0.35 -5.09 114.28 108.32 1sh3 n THR 97 Ca 0.14 0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.88 1sh3 n THR 97 Cb 0.26 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.00 5.06 0.47 12.58 -4.36 -0.57 -5.05 121.20 127.32 1sh3 s ILE 98 Ca 0.00 0.08 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 1sh3 s ILE 98 Cb 0.00 -3.69 0.01 0.00 1.25 0.00 0.00 42.46 40.03 1sh3 s ILE 98 CO 0.00 -0.18 0.68 -1.81 0.24 0.00 0.00 174.94 173.86 1sh3 s ASP 99 N -2.86 5.63 0.34 4.36 1.01 -1.26 -4.87 116.67 119.02 1sh3 s ASP 99 Ca 0.43 0.05 -0.29 0.00 0.71 0.00 0.00 52.55 53.46 1sh3 s ASP 99 Cb -0.11 -1.17 -0.11 0.00 1.01 0.00 0.00 42.92 42.54 1sh3 s ASP 99 CO 0.27 -0.84 1.47 -2.84 0.21 0.00 0.00 175.17 173.45 1sh3 s PRO 100 N -4.57 4.17 0.75 8.23 0.02 -1.26 -4.98 135.00 137.36 1sh3 s PRO 100 Ca 0.52 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.91 1sh3 s PRO 100 Cb -0.10 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.46 1sh3 s PRO 100 CO 0.37 -0.48 1.11 -2.14 -0.33 0.00 0.00 177.00 175.52 1sh3 s PRO 101 N -1.59 2.29 0.48 5.54 0.02 -1.26 -5.05 135.00 135.43 1sh3 s PRO 101 Ca 0.55 1.31 -0.20 0.00 0.02 0.00 0.00 61.00 62.67 1sh3 s PRO 101 Cb -0.45 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.09 1sh3 s PRO 101 CO 0.57 -1.63 1.02 -0.51 -0.33 0.00 0.00 177.00 176.12 1sh3 s ASP 102 N -3.00 6.44 0.38 2.53 1.01 -1.26 -4.78 116.67 117.99 1sh3 s ASP 102 Ca 0.64 1.87 -0.25 0.00 0.71 0.00 0.00 52.55 55.52 1sh3 s ASP 102 Cb -0.19 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.09 1sh3 s ASP 102 CO 0.51 -0.71 1.04 -0.54 0.21 0.00 0.00 175.17 175.68 1sh3 s LYS 103 N -3.28 4.24 -0.18 8.23 1.02 -1.26 -3.94 119.74 124.57 1sh3 s LYS 103 Ca 0.66 1.51 -0.05 0.00 0.02 0.00 0.00 55.97 58.11 1sh3 s LYS 103 Cb -0.15 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1sh3 s LYS 103 CO 0.20 -0.07 -0.00 -1.58 -0.92 0.00 0.00 175.35 172.97 1sh3 s TRP 104 N -1.63 3.08 0.59 3.18 0.52 -1.26 -4.91 118.94 118.51 1sh3 s TRP 104 Ca 0.56 -0.25 -0.05 0.00 0.02 0.00 0.00 56.10 56.37 1sh3 s TRP 104 Cb -0.22 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.08 1sh3 s TRP 104 CO 0.28 -0.05 0.89 -1.54 0.02 0.00 0.00 176.95 176.55 1sh3 s SER 105 N 0.56 5.56 0.22 2.95 1.04 -1.26 -4.69 113.70 118.08 1sh3 s SER 105 Ca -0.01 0.66 -0.08 0.00 0.48 0.00 0.00 55.95 57.00 1sh3 s SER 105 Cb -0.14 -1.64 0.36 0.00 0.10 0.00 0.00 66.02 64.70 1sh3 s SER 105 CO 0.02 -1.07 1.70 0.15 0.98 0.00 0.00 173.24 175.02 1sh3 h PHE 106 N -0.16 0.26 -0.80 5.02 3.57 -1.98 0.84 116.94 123.70 1sh3 h PHE 106 Ca -0.45 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1sh3 h PHE 106 Cb 1.26 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1sh3 h PHE 106 CO 0.46 -0.03 0.47 0.00 -2.23 0.00 0.00 178.31 176.98 1sh3 h ALA 107 N 1.52 1.02 -0.18 2.41 0.00 -1.94 0.81 119.26 122.90 1sh3 h ALA 107 Ca 0.36 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1sh3 h ALA 107 Cb 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sh3 h ALA 107 CO -0.43 0.50 -0.67 1.96 0.00 0.00 0.00 179.25 180.60 1sh3 h GLN 108 N 1.10 0.71 -0.52 0.00 4.20 -1.48 -1.99 115.11 117.12 1sh3 h GLN 108 Ca 0.29 -0.52 -0.11 0.00 0.06 0.00 0.00 58.65 58.37 1sh3 h GLN 108 Cb -0.02 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1sh3 h GLN 108 CO -0.05 1.14 -0.10 0.00 -0.67 0.00 0.00 178.83 179.15 1sh3 h ALA 109 N 0.73 0.71 0.52 3.87 0.00 0.85 -2.55 119.26 123.39 1sh3 h ALA 109 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1sh3 h ALA 109 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1sh3 h ALA 109 CO 0.13 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.67 1sh3 n ALA 111 N -2.55 1.27 0.63 0.00 0.00 -0.75 -2.55 120.51 116.55 1sh3 n ALA 111 Ca -0.12 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1sh3 n ALA 111 Cb 0.36 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 18.71 1sh3 n ALA 111 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sh3 n SER 112 N -1.84 0.64 -4.78 0.00 3.41 -0.97 -4.93 113.62 105.15 1sh3 n SER 112 Ca 0.01 -0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.16 1sh3 n SER 112 Cb 0.08 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1sh3 n SER 112 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sh3 s LEU 113 N -3.93 4.35 -0.11 1.04 1.43 -1.06 -4.98 118.68 115.42 1sh3 s LEU 113 Ca 0.06 1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1sh3 s LEU 113 Cb 0.14 -4.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 1sh3 s LEU 113 CO 0.76 -0.08 1.64 -0.62 0.23 0.00 0.00 176.35 178.27 1sh3 s ASP 114 N -1.58 6.58 0.23 2.29 -1.08 -1.26 -4.88 116.67 116.96 1sh3 s ASP 114 Ca 0.50 2.04 0.24 0.00 -0.52 0.00 0.00 52.55 54.81 1sh3 s ASP 114 Cb -0.19 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.11 1sh3 s ASP 114 CO 0.25 -1.03 1.43 0.11 0.52 0.00 0.00 175.17 176.45 1sh3 h LYS 115 N 9.91 0.00 0.00 4.34 1.79 -1.95 -3.28 116.57 127.38 1sh3 h LYS 115 Ca -0.37 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.03 1sh3 h LYS 115 Cb 1.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1sh3 h LYS 115 CO 0.97 0.00 -0.31 1.79 -1.08 0.00 0.00 179.45 180.82 1sh3 h THR 116 N 0.00 0.84 -3.21 -0.16 1.35 -1.96 -0.40 112.91 109.37 1sh3 h THR 116 Ca 0.00 -1.26 -0.46 0.00 -0.55 0.00 0.00 66.41 64.15 1sh3 h THR 116 Cb 0.85 1.77 0.10 0.00 -1.73 0.00 0.00 68.15 69.14 1sh3 h THR 116 CO 0.00 0.30 0.22 0.42 -0.25 0.00 0.00 175.52 176.22 1sh3 s THR 117 N -3.80 2.18 0.37 6.82 -4.23 -1.24 -4.73 115.64 111.01 1sh3 s THR 117 Ca -0.01 -0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 59.97 1sh3 s THR 117 Cb 0.12 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 1sh3 s THR 117 CO 0.67 0.00 0.87 -0.55 -0.54 0.00 0.00 174.62 175.07 1sh3 s SER 118 N -4.68 6.94 0.00 3.99 0.15 -1.26 -1.88 113.70 116.96 1sh3 s SER 118 Ca 0.66 1.57 0.22 0.00 0.70 0.00 0.00 55.95 59.09 1sh3 s SER 118 Cb -0.07 -2.49 1.04 0.00 -1.71 0.00 0.00 66.02 62.79 1sh3 s SER 118 CO 0.46 -0.26 1.71 -1.54 1.20 0.00 0.00 173.24 174.82 1sh3 n SER 119 N -0.34 0.00 0.00 5.45 3.41 0.12 -4.83 113.62 117.42 1sh3 n SER 119 Ca 0.05 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1sh3 n SER 119 Cb 0.53 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.68 0.93 3.71 5.00 0.00 -1.25 -0.71 105.19 113.54 1sh3 n GLY 120 Ca 0.08 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1sh3 n GLY 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sh3 n HIS 121 N 0.00 2.51 0.80 1.61 -0.00 -1.26 -1.16 115.22 117.71 1sh3 n HIS 121 Ca 0.00 0.43 0.09 0.00 -0.00 0.00 0.00 57.72 58.24 1sh3 n HIS 121 Cb 0.00 -2.49 0.06 0.00 -0.00 0.00 0.00 29.99 27.56 1sh3 n HIS 121 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sh3 n PRO 122 N 1.37 1.63 0.03 1.57 -0.04 -1.26 -4.26 135.00 134.05 1sh3 n PRO 122 Ca 0.07 -1.48 0.04 0.00 -0.04 0.00 0.00 63.50 62.09 1sh3 n PRO 122 Cb 0.35 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.84 0.74 -3.81 0.54 8.25 -1.08 -4.99 115.22 115.71 1sh3 n HIS 123 Ca 0.10 0.23 -0.24 0.00 -0.26 0.00 0.00 57.72 57.55 1sh3 n HIS 123 Cb 0.46 -0.95 0.02 0.00 1.12 0.00 0.00 29.99 30.64 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 -2.71 -1.93 -4.09 4.41 8.25 -0.31 -4.98 115.22 113.86 1sh3 n HIS 124 Ca -0.08 0.83 -0.34 0.00 -0.26 0.00 0.00 57.72 57.88 1sh3 n HIS 124 Cb 0.74 -4.14 -0.07 0.00 1.12 0.00 0.00 29.99 27.64 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 -6.25 3.13 0.04 -0.41 1.75 -1.26 -4.83 119.30 111.48 1sh3 s MET 125 Ca 0.15 -0.42 -0.30 0.00 -1.25 0.00 0.00 55.69 53.86 1sh3 s MET 125 Cb -0.08 -2.91 -0.07 0.00 2.84 0.00 0.00 34.83 34.61 1sh3 s MET 125 CO 0.83 0.67 1.57 0.50 -0.65 0.00 0.00 175.02 177.95 1sh3 s ARG 126 N -1.59 4.22 0.27 4.11 3.52 -1.26 0.10 118.95 128.32 1sh3 s ARG 126 Ca 0.21 2.21 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 1sh3 s ARG 126 Cb -0.12 -3.60 0.50 0.00 -1.56 0.00 0.00 34.95 30.17 1sh3 s ARG 126 CO 0.12 -0.69 1.83 0.87 -0.81 0.00 0.00 175.30 176.63 1sh3 h LYS 127 N 8.20 0.93 -0.57 5.12 1.57 -1.31 -0.61 116.57 129.91 1sh3 h LYS 127 Ca -0.41 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1sh3 h LYS 127 Cb 1.19 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.21 1sh3 h LYS 127 CO 0.92 0.61 0.10 -0.97 -0.57 0.00 0.00 179.45 179.54 1sh3 h ASN 128 N 0.96 -0.05 -0.89 0.86 -1.24 -1.34 -2.53 115.58 111.35 1sh3 h ASN 128 Ca 0.46 0.11 0.24 0.00 0.71 0.00 0.00 56.30 57.82 1sh3 h ASN 128 Cb 0.42 0.16 -0.15 0.00 0.73 0.00 0.00 38.32 39.49 1sh3 h ASN 128 CO -0.25 -0.01 0.15 0.44 -1.29 0.00 0.00 177.43 176.47 1sh3 h ASP 129 N 0.22 -0.18 -1.73 1.15 5.19 -1.40 -2.21 116.42 117.47 1sh3 h ASP 129 Ca 0.29 0.22 -0.65 0.00 -0.62 0.00 0.00 57.03 56.28 1sh3 h ASP 129 Cb 0.43 0.34 -0.37 0.00 0.18 0.00 0.00 39.33 39.91 1sh3 h ASP 129 CO -0.40 -0.22 -0.15 0.00 -3.12 0.00 0.00 179.24 175.35 1sh3 s TRP 131 N -3.72 -0.40 -1.79 0.00 -0.11 -0.83 -0.10 118.94 111.99 1sh3 s TRP 131 Ca 0.49 0.93 0.16 0.00 1.22 0.00 0.00 56.10 58.89 1sh3 s TRP 131 Cb 0.40 0.13 0.08 0.00 -1.50 0.00 0.00 33.47 32.58 1sh3 s TRP 131 CO -0.25 -0.22 0.94 0.27 -4.62 0.00 0.00 176.95 173.07 1sh3 n ASN 132 N 3.59 2.07 0.00 5.86 0.23 -0.73 -4.96 115.26 121.32 1sh3 n ASN 132 Ca -0.19 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1sh3 n ASN 132 Cb 0.56 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.97 1.37 0.00 4.83 0.00 -1.26 -4.84 105.19 106.25 1sh3 n GLY 133 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.27 -4.19 1.61 0.28 -1.26 -5.03 120.64 114.32 1sh3 n GLU 134 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1sh3 n GLU 134 Cb 0.00 -0.71 -0.10 0.00 1.43 0.00 0.00 31.44 32.06 1sh3 n GLU 134 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1sh3 s SER 135 N -1.51 0.76 0.75 -1.84 1.04 -1.26 -4.77 113.70 106.87 1sh3 s SER 135 Ca 0.00 -1.19 -0.11 0.00 0.48 0.00 0.00 55.95 55.14 1sh3 s SER 135 Cb 0.00 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1sh3 s SER 135 CO 0.00 -0.65 1.11 -0.36 0.98 0.00 0.00 173.24 174.33 1sh3 s PHE 136 N -3.85 3.07 -0.08 5.02 0.08 -1.26 -1.77 117.98 119.19 1sh3 s PHE 136 Ca 0.24 0.79 -0.01 0.00 0.12 0.00 0.00 56.93 58.06 1sh3 s PHE 136 Cb 0.07 -3.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1sh3 s PHE 136 CO 0.03 -1.49 -0.08 2.41 -0.10 0.00 0.00 175.22 175.99 1sh3 n THR 137 N -3.13 0.43 0.00 0.64 -1.04 0.86 -4.43 114.28 107.61 1sh3 n THR 137 Ca 0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1sh3 n THR 137 Cb 0.60 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 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 2.95 2.57 0.28 3.41 0.00 -1.26 -4.63 105.19 108.50 1sh3 n GLY 138 Ca -0.14 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.20 1.61 1.57 -1.98 -1.23 116.57 116.34 1sh3 h LYS 139 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 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 0.04 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.50 1sh3 h LEU 140 N 0.00 0.45 -1.15 2.94 3.38 -1.90 -2.01 115.31 117.02 1sh3 h LEU 140 Ca -0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1sh3 h LEU 140 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sh3 h LEU 140 CO 0.00 0.77 0.15 0.00 0.09 0.00 0.00 178.44 179.45 1sh3 h ALA 141 N 1.26 1.32 -0.07 1.53 0.00 -1.44 -0.75 119.26 121.10 1sh3 h ALA 141 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sh3 h ALA 141 Cb 0.79 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sh3 h ALA 141 CO 0.06 0.49 -0.03 -0.44 0.00 0.00 0.00 179.25 179.33 1sh3 h ASP 142 N 0.73 0.15 -0.55 0.00 3.32 -1.18 -1.89 116.42 117.00 1sh3 h ASP 142 Ca 0.17 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1sh3 h ASP 142 Cb 0.23 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1sh3 h ASP 142 CO -0.01 0.52 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.37 1sh3 h GLN 143 N -0.22 1.02 -0.06 3.56 4.15 -1.31 -1.54 115.11 120.72 1sh3 h GLN 143 Ca 0.02 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1sh3 h GLN 143 Cb 0.46 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1sh3 h GLN 143 CO 0.01 1.03 0.03 0.00 -1.93 0.00 0.00 178.83 177.96 1sh3 h ALA 144 N 1.01 0.08 -0.40 3.38 0.00 -1.16 -2.49 119.26 119.68 1sh3 h ALA 144 Ca 0.16 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1sh3 h ALA 144 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sh3 h ALA 144 CO 0.04 -0.36 -0.07 0.66 0.00 0.00 0.00 179.25 179.51 1sh3 h SER 145 N -0.03 0.66 0.26 0.00 4.64 -1.14 -1.36 113.55 116.58 1sh3 h SER 145 Ca 0.02 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1sh3 h SER 145 Cb 0.12 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1sh3 h SER 145 CO -0.00 0.77 -0.12 0.50 -0.87 0.00 0.00 176.83 177.11 1sh3 h LYS 146 N 0.63 -0.33 -0.53 4.77 3.64 -1.28 -0.11 116.57 123.36 1sh3 h LYS 146 Ca 0.12 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1sh3 h LYS 146 Cb 0.50 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1sh3 h LYS 146 CO 0.03 -0.07 -0.12 0.00 -2.27 0.00 0.00 179.45 177.02 1sh3 h ALA 147 N 0.11 0.37 -0.15 5.00 0.00 -1.25 0.37 119.26 123.72 1sh3 h ALA 147 Ca -0.04 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1sh3 h ALA 147 Cb 0.41 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sh3 h ALA 147 CO 0.06 -0.43 0.04 -0.97 0.00 0.00 0.00 179.25 177.95 1sh3 h ASN 148 N 0.01 0.05 -0.07 0.00 -1.24 -1.15 0.99 115.58 114.16 1sh3 h ASN 148 Ca 0.26 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.32 1sh3 h ASN 148 Cb 0.39 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.41 1sh3 h ASN 148 CO -0.53 0.05 -0.18 -0.07 -1.29 0.00 0.00 177.43 175.41 1sh3 h LEU 149 N 0.11 -0.54 -1.25 0.34 -0.00 0.01 -1.70 115.31 112.29 1sh3 h LEU 149 Ca 0.06 0.09 0.10 0.00 -0.00 0.00 0.00 57.88 58.13 1sh3 h LEU 149 Cb 0.04 0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.87 1sh3 h LEU 149 CO -0.07 -0.23 0.56 0.24 -0.00 0.00 0.00 178.44 178.94 1sh3 h MET 150 N -0.26 0.79 -0.38 1.13 2.86 0.14 -0.83 114.93 118.39 1sh3 h MET 150 Ca 0.08 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1sh3 h MET 150 Cb 0.36 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1sh3 h MET 150 CO -0.22 0.52 -0.25 0.35 1.06 0.00 0.00 176.91 178.37 1sh3 h PHE 151 N 0.82 0.88 -0.12 -0.22 3.57 -0.34 -1.91 116.94 119.61 1sh3 h PHE 151 Ca 0.41 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1sh3 h PHE 151 Cb 0.47 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1sh3 h PHE 151 CO -0.00 0.94 -0.18 0.93 -2.23 0.00 0.00 178.31 177.78 1sh3 h GLU 152 N 0.66 0.34 -7.42 1.11 5.08 -0.25 -3.41 114.58 110.69 1sh3 h GLU 152 Ca 0.09 -0.20 -0.49 0.00 -1.00 0.00 0.00 59.36 57.76 1sh3 h GLU 152 Cb 0.77 0.02 0.11 0.00 0.50 0.00 0.00 28.75 30.15 1sh3 h GLU 152 CO 0.06 0.77 0.34 -1.21 -1.00 0.00 0.00 179.01 177.97 1sh3 s GLU 153 N -4.14 2.11 -0.29 2.33 0.41 -0.96 -4.95 118.70 113.21 1sh3 s GLU 153 Ca -0.14 0.62 -0.02 0.00 -0.41 0.00 0.00 54.97 55.01 1sh3 s GLU 153 Cb 0.05 -1.92 0.08 0.00 -1.78 0.00 0.00 34.13 30.55 1sh3 s GLU 153 CO 0.75 -1.60 2.47 0.41 -0.49 0.00 0.00 175.26 176.81 1sh3 n GLY 154 N -2.16 3.86 3.86 -1.39 0.00 -1.26 -4.76 105.19 103.34 1sh3 n GLY 154 Ca 0.07 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 1sh3 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh3 s LYS 155 N -1.22 3.79 0.14 1.61 3.01 -0.72 -4.93 119.74 121.42 1sh3 s LYS 155 Ca 0.41 0.23 -0.26 0.00 -1.01 0.00 0.00 55.97 55.34 1sh3 s LYS 155 Cb 0.27 -3.06 -0.07 0.00 -1.01 0.00 0.00 37.83 33.96 1sh3 s LYS 155 CO -0.07 0.60 0.80 -0.80 0.51 0.00 0.00 175.35 176.39 1sh3 s ASN 156 N -1.55 7.37 0.15 2.83 -0.87 -1.26 -4.59 114.94 117.02 1sh3 s ASN 156 Ca 0.30 1.63 0.08 0.00 -1.57 0.00 0.00 52.86 53.30 1sh3 s ASN 156 Cb -0.15 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.54 1sh3 s ASN 156 CO 0.16 0.14 -0.17 -0.04 -2.57 0.00 0.00 177.10 174.61 1sh3 s MET 157 N -0.78 1.21 -0.32 -0.60 -1.94 -1.26 -5.12 119.30 110.49 1sh3 s MET 157 Ca 0.38 -1.36 -0.14 0.00 -1.71 0.00 0.00 55.69 52.85 1sh3 s MET 157 Cb -0.23 -1.23 -0.02 0.00 2.01 0.00 0.00 34.83 35.35 1sh3 s MET 157 CO 0.26 0.25 0.31 0.99 -0.01 0.00 0.00 175.02 176.82 1sh3 s THR 158 N -2.04 5.21 0.27 2.05 2.01 -1.26 -4.85 115.64 117.03 1sh3 s THR 158 Ca 0.14 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1sh3 s THR 158 Cb -0.06 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 1sh3 s THR 158 CO 0.06 0.03 1.36 -2.84 -0.69 0.00 0.00 174.62 172.54 1sh3 s PRO 159 N 1.94 4.33 -0.18 4.92 0.02 -1.26 -5.00 135.00 139.76 1sh3 s PRO 159 Ca 0.11 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.35 1sh3 s PRO 159 Cb -0.16 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.28 1sh3 s PRO 159 CO 0.11 -0.29 -0.13 0.08 -0.33 0.00 0.00 177.00 176.44 1sh3 s VAL 160 N -0.46 1.67 0.24 3.83 1.01 -1.26 -3.89 120.40 121.53 1sh3 s VAL 160 Ca 0.54 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1sh3 s VAL 160 Cb -0.40 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 1sh3 s VAL 160 CO 0.46 0.31 0.56 -0.31 0.00 0.00 0.00 175.10 176.12 1sh3 s TYR 161 N 1.42 3.42 -0.26 5.22 2.02 0.15 -3.69 117.35 125.63 1sh3 s TYR 161 Ca 0.02 0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 57.57 1sh3 s TYR 161 Cb -0.15 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1sh3 s TYR 161 CO -0.10 0.26 -0.03 0.99 -1.57 0.00 0.00 175.55 175.11 1sh3 s THR 162 N -1.83 3.11 0.21 -0.71 2.01 0.29 0.46 115.64 119.17 1sh3 s THR 162 Ca 0.48 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 1sh3 s THR 162 Cb -0.11 -2.60 -0.11 0.00 0.01 0.00 0.00 72.50 69.69 1sh3 s THR 162 CO 0.21 0.15 1.62 -0.83 -0.69 0.00 0.00 174.62 175.08 1sh3 s GLY 163 N 1.36 1.60 0.18 4.40 0.00 -0.38 -0.01 107.32 114.46 1sh3 s GLY 163 Ca 0.00 1.48 -0.00 0.00 0.00 0.00 0.00 44.72 46.21 1sh3 s GLY 163 CO -0.03 2.67 0.07 0.00 0.00 0.00 0.00 173.10 175.82 1sh3 s ALA 164 N 0.84 1.18 -0.15 3.20 0.00 0.68 -4.87 121.76 122.64 1sh3 s ALA 164 Ca 0.70 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1sh3 s ALA 164 Cb -0.46 0.96 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 1sh3 s ALA 164 CO 0.36 -0.47 -0.15 -0.51 0.00 0.00 0.00 175.76 174.99 1sh3 s LEU 165 N -3.15 2.52 -0.09 0.00 1.43 -1.26 0.44 118.68 118.58 1sh3 s LEU 165 Ca 0.30 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1sh3 s LEU 165 Cb 0.07 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1sh3 s LEU 165 CO 0.07 0.09 1.48 -0.75 0.23 0.00 0.00 176.35 177.47 1sh3 s LYS 166 N 0.76 4.21 -0.41 1.70 2.20 0.13 -4.92 119.74 123.41 1sh3 s LYS 166 Ca -0.06 1.97 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 1sh3 s LYS 166 Cb -0.15 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 1sh3 s LYS 166 CO 0.01 -0.77 1.16 0.34 -0.36 0.00 0.00 175.35 175.73 1sh3 s ASP 167 N 2.70 6.69 0.27 1.43 2.15 -1.26 -4.50 116.67 124.15 1sh3 s ASP 167 Ca 0.65 0.72 -0.16 0.00 0.43 0.00 0.00 52.55 54.19 1sh3 s ASP 167 Cb -0.29 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.80 1sh3 s ASP 167 CO 0.24 -1.15 0.59 -1.83 -0.17 0.00 0.00 175.17 172.84 1sh3 s GLU 168 N 4.26 1.68 -0.10 4.34 -1.05 -1.26 -4.95 118.70 121.62 1sh3 s GLU 168 Ca 0.49 -1.15 -0.26 0.00 -0.15 0.00 0.00 54.97 53.90 1sh3 s GLU 168 Cb -0.10 0.54 -0.02 0.00 -0.44 0.00 0.00 34.13 34.10 1sh3 s GLU 168 CO 0.27 -0.74 0.83 -0.51 0.95 0.00 0.00 175.26 176.06 1sh3 s LEU 169 N -2.98 4.26 0.18 1.83 1.43 -1.26 -0.56 118.68 121.59 1sh3 s LEU 169 Ca 0.17 1.30 0.09 0.00 -1.03 0.00 0.00 54.13 54.66 1sh3 s LEU 169 Cb -0.03 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1sh3 s LEU 169 CO 0.08 -0.28 -0.17 0.68 0.23 0.00 0.00 176.35 176.89 1sh3 s VAL 170 N 1.48 1.84 0.55 -1.59 -7.23 1.00 -4.90 120.40 111.54 1sh3 s VAL 170 Ca 0.41 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.36 1sh3 s VAL 170 Cb -0.18 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 1sh3 s VAL 170 CO 0.18 -0.39 1.01 2.29 -0.31 0.00 0.00 175.10 177.88 1sh3 n LYS 171 N 0.08 1.11 -0.13 4.82 2.85 -1.26 -1.76 118.16 123.87 1sh3 n LYS 171 Ca -0.11 0.42 -0.05 0.00 -1.05 0.00 0.00 58.31 57.51 1sh3 n LYS 171 Cb 0.58 -2.17 0.03 0.00 -0.65 0.00 0.00 35.03 32.82 1sh3 n LYS 171 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1sh3 h THR 172 N 0.88 0.86 -0.99 0.58 1.35 -1.88 -2.50 112.91 111.22 1sh3 h THR 172 Ca -0.48 -0.10 0.35 0.00 -0.55 0.00 0.00 66.41 65.63 1sh3 h THR 172 Cb 1.35 0.54 -0.16 0.00 -1.73 0.00 0.00 68.15 68.15 1sh3 h THR 172 CO 0.53 0.05 0.48 -0.78 -0.25 0.00 0.00 175.52 175.55 1sh3 h ASP 173 N 0.29 0.30 0.00 5.36 3.58 -1.94 0.31 116.42 124.32 1sh3 h ASP 173 Ca 0.19 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1sh3 h ASP 173 Cb 0.19 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1sh3 h ASP 173 CO -0.20 -0.27 0.00 0.29 -2.88 0.00 0.00 179.24 176.17 1sh3 n LYS 174 N -5.19 0.26 0.05 0.28 5.02 -0.94 -0.52 118.16 117.12 1sh3 n LYS 174 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1sh3 n LYS 174 Cb 1.05 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1sh3 n LYS 174 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1sh3 n ILE 175 N -0.77 0.61 1.26 -0.18 5.41 0.11 -2.92 119.36 122.87 1sh3 n ILE 175 Ca 0.03 0.20 0.13 0.00 1.00 0.00 0.00 62.75 64.11 1sh3 n ILE 175 Cb 0.02 -1.27 0.35 0.00 -0.71 0.00 0.00 39.64 38.02 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 -3.29 0.00 0.00 1.39 4.01 -1.03 -4.68 117.16 113.56 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 0.12 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.32 1.77 3.59 2.72 0.00 0.33 -5.02 105.19 109.90 1sh3 n GLY 177 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 3.40 3.69 0.14 1.61 2.47 -1.13 -4.93 119.74 124.99 1sh3 s LYS 178 Ca 0.00 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.59 1sh3 s LYS 178 Cb 0.00 -3.90 -0.07 0.00 -1.46 0.00 0.00 37.83 32.40 1sh3 s LYS 178 CO 0.00 -1.31 1.15 0.42 0.16 0.00 0.00 175.35 175.77 1sh3 s ILE 179 N 4.22 3.86 -0.01 5.43 1.01 -1.26 -4.14 121.20 130.31 1sh3 s ILE 179 Ca 0.45 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1sh3 s ILE 179 Cb -0.08 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1sh3 s ILE 179 CO 0.29 0.21 0.01 -0.54 0.00 0.00 0.00 174.94 174.91 1sh3 s LYS 180 N 0.12 0.05 -0.00 2.79 1.02 -1.15 -5.02 119.74 117.54 1sh3 s LYS 180 Ca 0.53 0.07 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1sh3 s LYS 180 Cb -0.30 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 1sh3 s LYS 180 CO 0.34 -0.08 -0.02 0.21 -0.92 0.00 0.00 175.35 174.88 1sh3 s LYS 181 N 0.54 0.17 0.18 1.68 2.20 -1.26 -4.77 119.74 118.48 1sh3 s LYS 181 Ca -0.05 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 1sh3 s LYS 181 Cb -0.07 -0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 35.99 1sh3 s LYS 181 CO -0.01 0.03 1.20 0.50 -0.36 0.00 0.00 175.35 176.70 1sh3 s ARG 182 N 0.03 4.49 -0.08 4.03 3.52 -1.26 -4.83 118.95 124.85 1sh3 s ARG 182 Ca 0.00 1.87 -0.28 0.00 -0.13 0.00 0.00 55.73 57.19 1sh3 s ARG 182 Cb -0.02 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1sh3 s ARG 182 CO -0.00 -0.10 0.90 -1.17 -0.81 0.00 0.00 175.30 174.12 1sh3 s LEU 183 N -0.16 4.28 -0.10 -0.88 2.96 -1.26 0.22 118.68 123.74 1sh3 s LEU 183 Ca 0.53 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.88 1sh3 s LEU 183 Cb -0.32 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1sh3 s LEU 183 CO 0.36 -0.32 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.17 1sh3 s LEU 184 N 1.51 2.64 -0.86 -0.68 1.43 0.17 -4.78 118.68 118.11 1sh3 s LEU 184 Ca 0.45 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1sh3 s LEU 184 Cb -0.19 -1.57 0.20 0.00 0.03 0.00 0.00 46.19 44.67 1sh3 s LEU 184 CO 0.20 0.21 0.86 0.26 0.23 0.00 0.00 176.35 178.11 1sh3 s TRP 185 N 0.06 3.65 -0.08 0.29 0.52 -0.66 -0.23 118.94 122.48 1sh3 s TRP 185 Ca -0.06 -1.90 -0.30 0.00 0.02 0.00 0.00 56.10 53.87 1sh3 s TRP 185 Cb -0.15 -3.92 -0.08 0.00 -1.15 0.00 0.00 33.47 28.17 1sh3 s TRP 185 CO 0.05 -1.10 2.06 0.41 0.02 0.00 0.00 176.95 178.39 1sh3 n GLY 186 N 4.24 1.47 3.85 0.98 0.00 0.98 -4.61 105.19 112.11 1sh3 n GLY 186 Ca 0.17 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.71 1sh3 n GLY 186 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sh3 s SER 187 N 5.88 4.58 0.10 1.61 0.15 -1.26 0.10 113.70 124.86 1sh3 s SER 187 Ca 0.94 1.02 0.03 0.00 0.70 0.00 0.00 55.95 58.65 1sh3 s SER 187 Cb -0.45 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1sh3 s SER 187 CO 0.41 -1.88 0.12 1.51 1.20 0.00 0.00 173.24 174.60 1sh3 s ASP 188 N -4.28 5.66 0.29 5.45 -4.77 -1.24 -3.90 116.67 113.88 1sh3 s ASP 188 Ca 0.61 -0.00 0.01 0.00 -3.30 0.00 0.00 52.55 49.87 1sh3 s ASP 188 Cb -0.12 -1.55 0.53 0.00 -1.09 0.00 0.00 42.92 40.68 1sh3 s ASP 188 CO 0.52 0.14 1.89 0.25 0.70 0.00 0.00 175.17 178.66 1sh3 h LEU 189 N 2.98 0.92 0.11 2.11 5.85 -1.10 -0.66 115.31 125.53 1sh3 h LEU 189 Ca -0.47 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1sh3 h LEU 189 Cb 1.17 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1sh3 h LEU 189 CO 0.66 0.57 -0.29 0.00 -0.34 0.00 0.00 178.44 179.04 1sh3 h ALA 190 N 1.51 -0.49 -0.65 1.25 0.00 -1.86 -1.19 119.26 117.83 1sh3 h ALA 190 Ca 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1sh3 h ALA 190 Cb 0.28 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1sh3 h ALA 190 CO -0.18 -0.83 0.24 1.15 0.00 0.00 0.00 179.25 179.64 1sh3 h THR 191 N -0.51 1.23 -0.30 0.00 2.02 -1.78 -1.15 112.91 112.43 1sh3 h THR 191 Ca 0.03 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.54 1sh3 h THR 191 Cb 0.54 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 1sh3 h THR 191 CO -0.17 0.29 -0.13 0.24 0.37 0.00 0.00 175.52 176.12 1sh3 h MET 192 N 0.94 -0.07 0.01 6.66 2.07 -0.51 0.12 114.93 124.15 1sh3 h MET 192 Ca 0.22 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.66 1sh3 h MET 192 Cb 0.20 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 1sh3 h MET 192 CO -0.02 -0.05 -0.91 -0.84 1.07 0.00 0.00 176.91 176.17 1sh3 h ILE 193 N -0.07 1.58 -0.35 -1.22 -0.00 -0.77 -2.75 117.51 113.93 1sh3 h ILE 193 Ca 0.15 -2.91 -0.10 0.00 -0.00 0.00 0.00 64.86 62.00 1sh3 h ILE 193 Cb 0.31 2.61 -0.01 0.00 -0.00 0.00 0.00 36.82 39.73 1sh3 h ILE 193 CO -0.35 0.84 -0.18 0.03 -0.00 0.00 0.00 178.15 178.48 1sh3 h ARG 194 N 0.04 0.74 -0.12 0.16 3.08 -0.86 -1.56 114.38 115.87 1sh3 h ARG 194 Ca -0.03 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1sh3 h ARG 194 Cb 1.58 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1sh3 h ARG 194 CO 0.13 0.94 -0.03 0.00 -1.07 0.00 0.00 179.97 179.94 1sh3 h ALA 196 N 1.81 0.07 -0.59 0.00 0.00 -1.10 -1.83 119.26 117.61 1sh3 h ALA 196 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1sh3 h ALA 196 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sh3 h ALA 196 CO 0.01 0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.35 1sh3 h ARG 197 N -0.39 1.03 -0.33 0.00 3.08 -1.31 -0.88 114.38 115.59 1sh3 h ARG 197 Ca -0.02 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.73 1sh3 h ARG 197 Cb 0.92 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1sh3 h ARG 197 CO 0.05 1.01 0.17 0.00 -1.07 0.00 0.00 179.97 180.13 1sh3 h ALA 198 N 0.99 0.40 0.00 0.04 0.00 -1.33 -3.39 119.26 115.97 1sh3 h ALA 198 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sh3 h ALA 198 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sh3 h ALA 198 CO 0.03 -0.20 -0.65 1.19 0.00 0.00 0.00 179.25 179.62 1sh3 n PHE 199 N -4.93 0.00 -0.35 0.00 3.72 -0.70 -4.41 117.46 110.79 1sh3 n PHE 199 Ca -0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1sh3 n PHE 199 Cb 0.07 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.46 0.10 1.37 0.00 -1.28 1.09 103.07 104.81 1sh3 h GLY 200 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.78 1sh3 h GLY 200 CO 0.00 -0.31 -0.27 -1.33 0.00 0.00 0.00 176.54 174.63 1sh3 h GLY 201 N -0.01 -0.23 1.28 4.60 0.00 -1.79 0.42 103.07 107.34 1sh3 h GLY 201 Ca 0.41 0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.95 1sh3 h GLY 201 CO -0.97 -0.21 -0.28 -2.00 0.00 0.00 0.00 176.54 173.09 1sh3 h LEU 202 N -0.28 0.84 -0.06 3.11 5.85 -0.96 -2.08 115.31 121.72 1sh3 h LEU 202 Ca 0.13 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1sh3 h LEU 202 Cb 0.49 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1sh3 h LEU 202 CO -0.40 1.06 -0.45 -0.03 -0.34 0.00 0.00 178.44 178.28 1sh3 h MET 203 N 0.69 -0.54 -0.64 1.25 4.05 0.20 -0.39 114.93 119.55 1sh3 h MET 203 Ca 0.08 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1sh3 h MET 203 Cb 0.81 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.68 1sh3 h MET 203 CO 0.07 -0.36 0.35 -0.44 0.23 0.00 0.00 176.91 176.76 1sh3 h ASP 204 N -0.56 0.52 -0.43 1.39 5.19 -0.91 -3.01 116.42 118.62 1sh3 h ASP 204 Ca 0.05 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 1sh3 h ASP 204 Cb 0.66 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1sh3 h ASP 204 CO -0.37 0.34 -0.03 -0.08 -3.12 0.00 0.00 179.24 175.98 1sh3 h GLU 205 N 0.66 0.85 -0.16 3.56 4.57 -0.63 -2.08 114.58 121.35 1sh3 h GLU 205 Ca 0.29 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1sh3 h GLU 205 Cb 0.17 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1sh3 h GLU 205 CO -0.18 0.87 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.27 1sh3 h LEU 206 N 0.78 0.26 -1.24 1.64 3.38 -0.97 -2.86 115.31 116.30 1sh3 h LEU 206 Ca 0.14 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1sh3 h LEU 206 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1sh3 h LEU 206 CO 0.03 0.46 -0.35 0.11 0.09 0.00 0.00 178.44 178.78 1sh3 h LYS 207 N 0.25 0.04 -0.50 1.13 1.57 -1.27 -1.79 116.57 116.00 1sh3 h LYS 207 Ca 0.05 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1sh3 h LYS 207 Cb 0.47 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1sh3 h LYS 207 CO 0.03 0.39 0.34 1.15 -0.57 0.00 0.00 179.45 180.79 1sh3 h THR 208 N 0.04 0.88 -0.31 -0.16 2.02 -1.32 -3.02 112.91 111.04 1sh3 h THR 208 Ca 0.00 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1sh3 h THR 208 Cb 0.65 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1sh3 h THR 208 CO 0.05 0.05 0.01 1.41 0.37 0.00 0.00 175.52 177.40 1sh3 n HIS 209 N -4.46 1.07 0.79 3.16 8.25 -0.69 -4.68 115.22 118.67 1sh3 n HIS 209 Ca 0.08 -1.02 0.07 0.00 -0.26 0.00 0.00 57.72 56.58 1sh3 n HIS 209 Cb 0.38 -0.37 0.38 0.00 1.12 0.00 0.00 29.99 31.50 1sh3 n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sh3 n VAL 211 N -1.07 1.65 0.19 0.00 0.24 -1.26 -4.56 118.33 113.52 1sh3 n VAL 211 Ca 0.09 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1sh3 n VAL 211 Cb 0.06 -1.88 -0.07 0.00 -1.47 0.00 0.00 33.84 30.49 1sh3 n VAL 211 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1sh3 h THR 212 N -0.47 0.40 -4.29 3.34 2.02 -1.76 -3.47 112.91 108.68 1sh3 h THR 212 Ca -0.40 -0.63 -0.51 0.00 0.77 0.00 0.00 66.41 65.64 1sh3 h THR 212 Cb 1.68 0.61 0.10 0.00 -1.74 0.00 0.00 68.15 68.80 1sh3 h THR 212 CO -0.07 0.08 0.36 -0.76 0.37 0.00 0.00 175.52 175.50 1sh3 s LEU 213 N -9.33 3.21 0.47 2.58 1.43 -0.29 -4.98 118.68 111.76 1sh3 s LEU 213 Ca -0.12 1.74 0.27 0.00 -1.03 0.00 0.00 54.13 54.98 1sh3 s LEU 213 Cb 0.01 -4.51 0.84 0.00 0.03 0.00 0.00 46.19 42.56 1sh3 s LEU 213 CO 0.43 -1.54 1.79 -0.65 0.23 0.00 0.00 176.35 176.61 1sh3 h PRO 214 N -0.51 0.00 -6.22 1.29 0.11 -1.90 -3.42 132.00 121.36 1sh3 h PRO 214 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1sh3 h PRO 214 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1sh3 h PRO 214 CO 0.55 0.09 1.25 0.42 -0.21 0.00 0.00 178.00 180.10 1sh3 s ILE 215 N -3.46 3.54 -1.73 4.15 1.01 -1.26 -0.13 121.20 123.32 1sh3 s ILE 215 Ca 0.03 0.46 0.26 0.00 0.00 0.00 0.00 60.65 61.40 1sh3 s ILE 215 Cb 0.08 -3.99 0.21 0.00 0.01 0.00 0.00 42.46 38.77 1sh3 s ILE 215 CO 0.62 -0.80 1.49 0.54 0.00 0.00 0.00 174.94 176.78 1sh3 n ARG 216 N 8.73 0.81 -1.66 2.79 5.12 -0.18 -4.53 116.66 127.75 1sh3 n ARG 216 Ca 0.19 -0.52 -0.58 0.00 -1.93 0.00 0.00 57.85 55.02 1sh3 n ARG 216 Cb 0.49 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1sh3 n ARG 216 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sh3 n VAL 217 N -0.64 0.14 0.00 1.55 0.31 -1.26 -1.51 118.33 116.92 1sh3 n VAL 217 Ca 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1sh3 n VAL 217 Cb 0.36 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1sh3 n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sh3 n GLY 218 N 3.40 0.59 3.81 2.92 0.00 -1.26 -4.47 105.19 110.18 1sh3 n GLY 218 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.79 3.52 -0.35 1.61 0.00 -0.57 -4.69 119.30 118.03 1sh3 s MET 219 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 55.69 56.81 1sh3 s MET 219 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 34.83 32.79 1sh3 s MET 219 CO 0.00 -0.65 0.18 1.21 0.00 0.00 0.00 175.02 175.77 1sh3 s ASN 220 N -2.60 5.65 0.32 -1.18 3.84 -1.26 -3.85 114.94 115.85 1sh3 s ASN 220 Ca 0.64 -0.87 0.03 0.00 0.21 0.00 0.00 52.86 52.87 1sh3 s ASN 220 Cb -0.15 -2.01 0.61 0.00 -0.55 0.00 0.00 41.25 39.15 1sh3 s ASN 220 CO 0.32 -0.33 1.90 -0.03 -2.79 0.00 0.00 177.10 176.17 1sh3 h MET 221 N 8.40 0.90 -0.22 0.43 1.85 -1.89 0.29 114.93 124.69 1sh3 h MET 221 Ca -0.27 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 58.61 1sh3 h MET 221 Cb 1.11 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 1sh3 h MET 221 CO 0.65 0.60 -0.48 -0.91 -0.40 0.00 0.00 176.91 176.36 1sh3 h ASN 222 N 0.93 0.63 0.00 1.39 2.35 -1.94 -3.09 115.58 115.85 1sh3 h ASN 222 Ca 0.40 -0.31 -0.42 0.00 -0.55 0.00 0.00 56.30 55.43 1sh3 h ASN 222 Cb 0.34 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 1sh3 h ASN 222 CO -0.17 1.01 -2.41 -0.62 -1.65 0.00 0.00 177.43 173.60 1sh3 n GLU 223 N -3.99 0.54 0.13 0.81 1.02 -0.74 -4.62 120.64 113.80 1sh3 n GLU 223 Ca -0.03 0.22 0.01 0.00 -0.02 0.00 0.00 57.16 57.34 1sh3 n GLU 223 Cb 0.57 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1sh3 n GLU 223 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1sh3 h ASP 224 N -0.77 0.00 -0.43 1.62 3.32 -0.67 -3.38 116.42 116.11 1sh3 h ASP 224 Ca -0.63 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.47 1sh3 h ASP 224 Cb 1.60 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.07 1sh3 h ASP 224 CO -0.34 0.59 -0.55 1.23 -1.72 0.00 0.00 179.24 178.45 1sh3 h GLY 225 N 3.34 -1.03 1.36 2.75 0.00 -1.44 -0.07 103.07 107.98 1sh3 h GLY 225 Ca -0.01 0.73 0.03 0.00 0.00 0.00 0.00 47.33 48.08 1sh3 h GLY 225 CO 0.08 -0.13 0.36 -2.55 0.00 0.00 0.00 176.54 174.30 1sh3 h PRO 226 N -0.36 0.62 0.04 4.80 0.11 -1.73 0.14 132.00 135.62 1sh3 h PRO 226 Ca 0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1sh3 h PRO 226 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1sh3 h PRO 226 CO -0.60 0.41 -0.02 0.82 -0.21 0.00 0.00 178.00 178.40 1sh3 h ILE 227 N 0.64 1.26 -0.38 4.15 2.04 -1.60 -2.12 117.51 121.50 1sh3 h ILE 227 Ca 0.22 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1sh3 h ILE 227 Cb 0.08 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1sh3 h ILE 227 CO -0.06 0.27 0.21 0.40 0.00 0.00 0.00 178.15 178.97 1sh3 h ILE 228 N -0.53 1.01 -0.56 -0.67 2.04 -0.60 -1.99 117.51 116.21 1sh3 h ILE 228 Ca -0.01 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1sh3 h ILE 228 Cb 0.48 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1sh3 h ILE 228 CO 0.01 0.08 -0.02 -0.26 0.00 0.00 0.00 178.15 177.96 1sh3 h PHE 229 N 0.42 1.09 -0.71 1.37 0.04 -0.79 -1.33 116.94 117.04 1sh3 h PHE 229 Ca 0.16 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 1sh3 h PHE 229 Cb 0.04 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1sh3 h PHE 229 CO -0.09 0.99 0.26 1.49 -0.60 0.00 0.00 178.31 180.37 1sh3 h GLU 230 N 0.88 1.07 -0.68 1.51 4.22 -1.25 -0.70 114.58 119.63 1sh3 h GLU 230 Ca 0.16 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 1sh3 h GLU 230 Cb 0.57 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1sh3 h GLU 230 CO 0.03 0.90 0.27 0.00 -2.18 0.00 0.00 179.01 178.03 1sh3 h ARG 231 N 1.02 1.00 -0.87 1.92 2.47 -1.09 -1.97 114.38 116.87 1sh3 h ARG 231 Ca 0.23 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1sh3 h ARG 231 Cb 0.24 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 1sh3 h ARG 231 CO -0.02 0.82 0.48 0.45 0.56 0.00 0.00 179.97 182.26 1sh3 h HIS 232 N 0.98 1.19 0.00 3.04 3.86 -0.62 -2.98 115.15 120.63 1sh3 h HIS 232 Ca 0.23 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1sh3 h HIS 232 Cb 0.19 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1sh3 h HIS 232 CO 0.02 0.82 0.00 -1.13 0.86 0.00 0.00 177.93 178.50 1sh3 n SER 233 N -4.36 0.00 -0.01 2.45 3.41 -0.33 -2.61 113.62 112.17 1sh3 n SER 233 Ca 0.09 0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 1sh3 n SER 233 Cb 0.09 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1sh3 n SER 233 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1sh3 h ARG 234 N 0.00 0.77 -7.41 4.33 3.08 -1.48 -3.46 114.38 110.20 1sh3 h ARG 234 Ca 0.00 -0.64 -0.50 0.00 0.07 0.00 0.00 59.98 58.91 1sh3 h ARG 234 Cb 0.13 0.14 0.08 0.00 0.08 0.00 0.00 29.97 30.40 1sh3 h ARG 234 CO 0.00 1.25 0.40 0.71 -1.07 0.00 0.00 179.97 181.25 1sh3 s TYR 235 N -3.71 3.29 0.06 3.04 1.51 -1.07 -5.00 117.35 115.47 1sh3 s TYR 235 Ca -0.10 1.19 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 1sh3 s TYR 235 Cb 0.09 -2.95 -0.24 0.00 -0.11 0.00 0.00 41.96 38.74 1sh3 s TYR 235 CO 0.90 -1.15 1.06 -0.09 -1.11 0.00 0.00 175.55 175.17 1sh3 h ARG 236 N -0.64 0.11 -5.17 -0.62 2.43 -1.82 -3.47 114.38 105.19 1sh3 h ARG 236 Ca -0.45 -0.19 -0.43 0.00 -0.81 0.00 0.00 59.98 58.10 1sh3 h ARG 236 Cb 1.23 0.07 -0.26 0.00 -0.42 0.00 0.00 29.97 30.60 1sh3 h ARG 236 CO 0.61 1.00 -0.79 0.71 -1.51 0.00 0.00 179.97 179.99 1sh3 s TYR 237 N -2.66 1.13 0.00 2.20 2.02 -0.36 -4.29 117.35 115.38 1sh3 s TYR 237 Ca -0.03 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1sh3 s TYR 237 Cb 0.08 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1sh3 s TYR 237 CO 0.84 0.01 0.02 -1.01 -1.57 0.00 0.00 175.55 173.84 1sh3 s HIS 238 N -0.72 0.09 0.10 2.71 3.76 -0.15 -1.17 115.29 119.90 1sh3 s HIS 238 Ca 0.02 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.68 1sh3 s HIS 238 Cb -0.07 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.53 1sh3 s HIS 238 CO 0.01 -0.11 0.16 1.52 -0.85 0.00 0.00 174.74 175.47 1sh3 s TYR 239 N -0.71 0.31 -0.28 1.40 -0.85 -0.82 -0.40 117.35 116.00 1sh3 s TYR 239 Ca -0.08 -0.74 -0.02 0.00 -0.52 0.00 0.00 57.07 55.71 1sh3 s TYR 239 Cb -0.05 -0.14 0.09 0.00 0.38 0.00 0.00 41.96 42.24 1sh3 s TYR 239 CO -0.00 -0.55 0.09 0.34 -1.52 0.00 0.00 175.55 173.91 1sh3 s ASP 240 N -2.90 3.69 0.55 -0.18 2.15 -1.26 -2.24 116.67 116.47 1sh3 s ASP 240 Ca 0.09 -1.39 0.37 0.00 0.43 0.00 0.00 52.55 52.05 1sh3 s ASP 240 Cb 0.05 -0.68 2.00 0.00 -0.30 0.00 0.00 42.92 43.99 1sh3 s ASP 240 CO -0.08 -0.40 2.13 0.00 -0.17 0.00 0.00 175.17 176.65 1sh3 h ALA 241 N 8.20 1.01 -6.55 3.66 0.00 -1.88 -3.46 119.26 120.24 1sh3 h ALA 241 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 1sh3 h ALA 241 Cb 1.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1sh3 h ALA 241 CO 0.44 -0.01 -1.20 -3.47 0.00 0.00 0.00 179.25 175.01 1sh3 n ASP 242 N -2.80 -5.51 -4.72 0.00 2.03 -1.26 0.39 116.55 104.67 1sh3 n ASP 242 Ca -0.02 -0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.69 1sh3 n ASP 242 Cb 0.07 -1.72 -0.04 0.00 -0.72 0.00 0.00 41.12 38.71 1sh3 n ASP 242 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1sh3 s TYR 243 N -1.57 3.67 0.37 -0.67 2.02 -1.26 -1.80 117.35 118.11 1sh3 s TYR 243 Ca 0.37 1.50 -0.26 0.00 -0.37 0.00 0.00 57.07 58.31 1sh3 s TYR 243 Cb -0.04 -2.93 -0.09 0.00 -0.40 0.00 0.00 41.96 38.50 1sh3 s TYR 243 CO 0.88 0.12 1.09 -1.12 -1.57 0.00 0.00 175.55 174.95 1sh3 s SER 244 N 0.56 6.83 -0.71 2.29 0.01 0.79 -4.31 113.70 119.15 1sh3 s SER 244 Ca 0.43 2.17 -0.19 0.00 1.31 0.00 0.00 55.95 59.67 1sh3 s SER 244 Cb -0.20 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.45 1sh3 s SER 244 CO 0.24 -0.45 0.36 -2.11 0.41 0.00 0.00 173.24 171.68 1sh3 n ARG 245 N 0.29 -0.60 0.12 12.44 1.85 -1.26 -4.40 116.66 125.11 1sh3 n ARG 245 Ca 0.03 -0.18 -0.08 0.00 -1.00 0.00 0.00 57.85 56.63 1sh3 n ARG 245 Cb 0.48 -1.06 -0.04 0.00 -1.05 0.00 0.00 32.46 30.78 1sh3 n ARG 245 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1sh3 h TRP 246 N -0.22 -0.60 -0.99 2.89 2.91 -1.96 -3.08 115.95 114.90 1sh3 h TRP 246 Ca -0.41 0.00 0.23 0.00 1.13 0.00 0.00 58.89 59.84 1sh3 h TRP 246 Cb 0.80 0.23 -0.19 0.00 -0.51 0.00 0.00 29.16 29.50 1sh3 h TRP 246 CO 0.22 -0.28 -0.15 -0.25 -1.03 0.00 0.00 178.44 176.94 1sh3 n ASP 247 N -3.64 -0.27 0.27 2.65 9.92 -1.26 0.10 116.55 124.31 1sh3 n ASP 247 Ca -0.05 1.70 0.15 0.00 -0.53 0.00 0.00 54.79 56.06 1sh3 n ASP 247 Cb 0.20 -0.55 0.70 0.00 -0.64 0.00 0.00 41.12 40.82 1sh3 n ASP 247 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1sh3 h SER 248 N 0.00 0.00 0.40 -2.24 4.64 -1.78 -0.34 113.55 114.23 1sh3 h SER 248 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1sh3 h SER 248 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1sh3 h SER 248 CO -0.99 0.08 -0.66 0.35 -0.87 0.00 0.00 176.83 174.74 1sh3 n THR 249 N -3.29 0.03 -1.87 2.95 -2.24 0.11 -4.48 114.28 105.49 1sh3 n THR 249 Ca -0.01 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1sh3 n THR 249 Cb 0.29 0.39 0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.03 2.79 -0.16 -0.78 -1.52 -1.09 -4.68 119.66 111.20 1sh3 s GLN 250 Ca 0.09 1.97 -0.04 0.00 -1.95 0.00 0.00 55.36 55.44 1sh3 s GLN 250 Cb 0.17 -1.92 -0.03 0.00 -0.22 0.00 0.00 33.01 31.01 1sh3 s GLN 250 CO 0.75 -1.38 -0.04 -0.65 -0.25 0.00 0.00 175.29 173.72 1sh3 s GLN 251 N -3.31 3.67 0.41 2.91 -0.21 -1.26 -2.84 119.66 119.03 1sh3 s GLN 251 Ca 0.79 -0.52 0.20 0.00 0.02 0.00 0.00 55.36 55.85 1sh3 s GLN 251 Cb -0.35 -2.92 1.15 0.00 1.00 0.00 0.00 33.01 31.89 1sh3 s GLN 251 CO 0.37 0.23 1.78 0.00 -2.12 0.00 0.00 175.29 175.55 1sh3 h ARG 252 N 6.74 0.34 -0.66 2.91 2.47 -1.88 0.12 114.38 124.43 1sh3 h ARG 252 Ca -0.31 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.43 1sh3 h ARG 252 Cb 1.19 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.39 1sh3 h ARG 252 CO 0.63 0.23 0.40 0.00 0.56 0.00 0.00 179.97 181.78 1sh3 h ALA 253 N 1.60 0.87 -0.34 0.04 0.00 -1.98 0.93 119.26 120.39 1sh3 h ALA 253 Ca 0.58 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.41 1sh3 h ALA 253 Cb 1.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1sh3 h ALA 253 CO -0.26 0.12 -0.07 0.28 0.00 0.00 0.00 179.25 179.33 1sh3 h VAL 254 N 0.76 1.28 -0.62 0.00 2.07 -1.24 -2.87 116.25 115.63 1sh3 h VAL 254 Ca 0.28 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1sh3 h VAL 254 Cb 0.08 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1sh3 h VAL 254 CO -0.13 0.36 0.41 -0.07 0.02 0.00 0.00 177.57 178.16 1sh3 h LEU 255 N 0.43 0.71 0.33 2.57 3.38 -0.22 -1.90 115.31 120.61 1sh3 h LEU 255 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sh3 h LEU 255 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1sh3 h LEU 255 CO 0.03 0.51 -0.16 0.00 0.09 0.00 0.00 178.44 178.91 1sh3 h ALA 256 N 1.62 -0.45 -0.90 1.53 0.00 0.95 -1.57 119.26 120.44 1sh3 h ALA 256 Ca 0.23 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1sh3 h ALA 256 Cb -0.09 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1sh3 h ALA 256 CO -0.05 -0.75 0.58 0.00 0.00 0.00 0.00 179.25 179.03 1sh3 h ALA 257 N 0.21 1.67 0.13 0.00 0.00 -1.28 0.52 119.26 120.52 1sh3 h ALA 257 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sh3 h ALA 257 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sh3 h ALA 257 CO 0.07 0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 1sh3 h ALA 258 N 1.56 -0.25 -0.49 0.00 0.00 -0.73 -2.74 119.26 116.61 1sh3 h ALA 258 Ca 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1sh3 h ALA 258 Cb 0.48 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1sh3 h ALA 258 CO -0.19 -0.66 0.01 -0.07 0.00 0.00 0.00 179.25 178.35 1sh3 h LEU 259 N -0.28 0.78 -0.58 0.00 3.38 -0.42 -2.68 115.31 115.51 1sh3 h LEU 259 Ca 0.00 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1sh3 h LEU 259 Cb 0.26 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 1sh3 h LEU 259 CO -0.03 0.83 -0.18 -0.33 0.09 0.00 0.00 178.44 178.82 1sh3 h GLU 260 N 0.76 -0.04 -0.15 1.13 5.08 -0.66 0.56 114.58 121.27 1sh3 h GLU 260 Ca 0.15 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1sh3 h GLU 260 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1sh3 h GLU 260 CO 0.02 -0.03 -0.12 0.82 -1.00 0.00 0.00 179.01 178.70 1sh3 h ILE 261 N -0.04 0.65 -0.55 3.13 2.04 -1.20 -0.91 117.51 120.63 1sh3 h ILE 261 Ca 0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.22 1sh3 h ILE 261 Cb 0.46 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 1sh3 h ILE 261 CO -0.62 0.00 0.19 0.24 0.00 0.00 0.00 178.15 177.96 1sh3 h MET 262 N -0.14 0.36 -0.53 2.37 2.86 -0.59 -1.78 114.93 117.48 1sh3 h MET 262 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1sh3 h MET 262 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1sh3 h MET 262 CO -0.23 0.24 0.28 0.28 1.06 0.00 0.00 176.91 178.54 1sh3 h VAL 263 N 0.37 1.18 -0.91 -2.22 2.07 0.46 0.36 116.25 117.57 1sh3 h VAL 263 Ca 0.27 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1sh3 h VAL 263 Cb 0.32 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1sh3 h VAL 263 CO -0.28 0.20 0.58 0.50 0.02 0.00 0.00 177.57 178.58 1sh3 h LYS 264 N 0.71 1.04 0.00 1.57 3.64 -0.29 -2.36 116.57 120.87 1sh3 h LYS 264 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1sh3 h LYS 264 Cb 0.07 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1sh3 h LYS 264 CO -0.03 0.69 -0.64 1.19 -2.27 0.00 0.00 179.45 178.39 1sh3 n PHE 265 N -4.56 0.16 -1.30 1.91 3.72 -1.05 -4.85 117.46 111.49 1sh3 n PHE 265 Ca 0.13 0.05 -0.35 0.00 -0.05 0.00 0.00 57.45 57.22 1sh3 n PHE 265 Cb 0.15 -0.35 0.10 0.00 -0.94 0.00 0.00 39.48 38.43 1sh3 n PHE 265 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sh3 n SER 266 N -1.70 0.69 0.18 4.37 3.41 0.10 -4.45 113.62 116.21 1sh3 n SER 266 Ca 0.04 0.65 0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1sh3 n SER 266 Cb 0.37 -1.44 0.50 0.00 -0.26 0.00 0.00 64.21 63.38 1sh3 n SER 266 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sh3 h SER 267 N -0.40 0.12 -2.79 4.04 4.64 -1.86 -3.34 113.55 113.95 1sh3 h SER 267 Ca -0.47 -0.01 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 1sh3 h SER 267 Cb 1.32 -0.03 -0.39 0.00 -0.31 0.00 0.00 62.40 62.99 1sh3 h SER 267 CO 0.47 0.21 -0.83 -1.61 -0.87 0.00 0.00 176.83 174.19 1sh3 s GLU 268 N -4.88 1.15 0.20 4.77 2.02 -1.26 -4.97 118.70 115.72 1sh3 s GLU 268 Ca -0.05 -2.10 -0.11 0.00 0.02 0.00 0.00 54.97 52.73 1sh3 s GLU 268 Cb 0.16 -1.91 0.25 0.00 0.10 0.00 0.00 34.13 32.73 1sh3 s GLU 268 CO 0.70 -1.28 1.72 -1.35 0.02 0.00 0.00 175.26 175.07 1sh3 h PRO 269 N 6.16 0.28 -0.50 0.39 0.11 -1.74 0.37 132.00 137.07 1sh3 h PRO 269 Ca 0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1sh3 h PRO 269 Cb 0.90 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1sh3 h PRO 269 CO 0.43 0.18 0.27 1.12 -0.21 0.00 0.00 178.00 179.79 1sh3 h HIS 270 N 0.29 0.66 0.18 0.65 2.07 -1.96 0.17 115.15 117.21 1sh3 h HIS 270 Ca 0.29 -0.01 -0.32 0.00 -2.85 0.00 0.00 60.37 57.48 1sh3 h HIS 270 Cb 0.39 -0.22 0.01 0.00 2.57 0.00 0.00 27.41 30.17 1sh3 h HIS 270 CO -0.22 0.47 -1.53 -0.07 -3.07 0.00 0.00 177.93 173.51 1sh3 h LEU 271 N 0.69 0.60 -1.24 6.12 3.38 -1.65 -3.32 115.31 119.88 1sh3 h LEU 271 Ca 0.18 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1sh3 h LEU 271 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1sh3 h LEU 271 CO -0.03 1.60 0.07 0.00 0.09 0.00 0.00 178.44 180.18 1sh3 h ALA 272 N 0.31 1.39 -0.98 1.53 0.00 -0.49 -2.77 119.26 118.23 1sh3 h ALA 272 Ca -0.26 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 54.72 1sh3 h ALA 272 Cb 2.08 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 1sh3 h ALA 272 CO 0.21 0.44 0.64 0.37 0.00 0.00 0.00 179.25 180.91 1sh3 h GLN 273 N 0.58 0.39 0.05 0.00 5.75 -0.78 -1.15 115.11 119.95 1sh3 h GLN 273 Ca 0.13 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.46 1sh3 h GLN 273 Cb 0.26 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.73 1sh3 h GLN 273 CO 0.00 0.26 -0.62 0.28 -2.65 0.00 0.00 178.83 176.10 1sh3 h VAL 274 N 0.40 1.48 -0.02 2.39 2.07 -1.66 -2.00 116.25 118.92 1sh3 h VAL 274 Ca 0.54 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.84 1sh3 h VAL 274 Cb 1.36 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 1sh3 h VAL 274 CO -0.23 0.64 -0.05 0.58 0.02 0.00 0.00 177.57 178.52 1sh3 h VAL 275 N -0.27 0.85 -0.20 2.57 2.07 -1.50 -1.65 116.25 118.12 1sh3 h VAL 275 Ca -0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1sh3 h VAL 275 Cb 1.38 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1sh3 h VAL 275 CO 0.12 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.40 1sh3 h ALA 276 N 0.93 -0.59 -0.96 1.67 0.00 -1.27 0.20 119.26 119.24 1sh3 h ALA 276 Ca 0.03 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.19 1sh3 h ALA 276 Cb 0.13 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1sh3 h ALA 276 CO -0.07 -0.73 0.49 0.93 0.00 0.00 0.00 179.25 179.86 1sh3 h GLU 277 N -0.24 0.40 -0.38 0.00 5.08 -1.18 0.13 114.58 118.39 1sh3 h GLU 277 Ca 0.04 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1sh3 h GLU 277 Cb 0.34 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1sh3 h GLU 277 CO -0.32 0.27 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.17 1sh3 h ASP 278 N 0.41 0.93 0.66 1.42 3.32 -0.22 -2.07 116.42 120.88 1sh3 h ASP 278 Ca 0.63 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1sh3 h ASP 278 Cb 1.29 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1sh3 h ASP 278 CO -0.55 1.19 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.91 1sh3 h LEU 279 N 0.73 0.00 0.00 1.55 3.38 0.21 -2.85 115.31 118.33 1sh3 h LEU 279 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1sh3 h LEU 279 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1sh3 h LEU 279 CO 0.09 0.17 -1.45 0.18 0.09 0.00 0.00 178.44 177.52 1sh3 n LEU 280 N -3.48 0.61 -4.63 1.67 4.77 -0.94 -4.91 117.00 110.08 1sh3 n LEU 280 Ca -0.01 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 1sh3 n LEU 280 Cb 0.34 0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1sh3 n LEU 280 CO 0.32 0.01 0.59 -1.54 -1.33 0.00 0.00 177.39 175.44 1sh3 n SER 281 N -2.67 0.81 -4.66 -1.43 3.41 -0.79 -4.79 113.62 103.50 1sh3 n SER 281 Ca -0.06 0.73 -0.60 0.00 -0.26 0.00 0.00 58.87 58.68 1sh3 n SER 281 Cb 0.69 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.14 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 -1.61 0.59 -2.80 4.33 -0.02 -1.26 -4.83 135.00 129.40 1sh3 n PRO 282 Ca 0.14 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 1sh3 n PRO 282 Cb 0.49 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.19 7.08 -0.30 2.55 0.01 0.02 -4.88 113.70 120.37 1sh3 s SER 283 Ca 0.97 1.33 -0.24 0.00 1.31 0.00 0.00 55.95 59.32 1sh3 s SER 283 Cb -1.22 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 62.51 1sh3 s SER 283 CO 0.66 -0.43 0.79 -0.69 0.41 0.00 0.00 173.24 173.98 1sh3 s VAL 284 N 2.13 4.80 -0.11 3.43 1.01 -1.25 -0.67 120.40 129.73 1sh3 s VAL 284 Ca 0.43 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.65 1sh3 s VAL 284 Cb -0.17 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1sh3 s VAL 284 CO 0.14 -0.23 -0.16 0.54 0.00 0.00 0.00 175.10 175.39 1sh3 s VAL 285 N 2.95 1.55 -0.38 2.92 0.11 -0.47 0.32 120.40 127.39 1sh3 s VAL 285 Ca 0.33 -0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 58.43 1sh3 s VAL 285 Cb -0.14 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 1sh3 s VAL 285 CO 0.12 0.45 0.99 -0.62 -3.33 0.00 0.00 175.10 172.71 1sh3 s ASP 286 N 0.95 6.71 -0.03 3.54 -1.08 0.17 -1.10 116.67 125.83 1sh3 s ASP 286 Ca -0.07 0.62 0.20 0.00 -0.52 0.00 0.00 52.55 52.78 1sh3 s ASP 286 Cb -0.15 -2.49 0.63 0.00 -1.46 0.00 0.00 42.92 39.45 1sh3 s ASP 286 CO -0.01 -0.94 1.53 1.33 0.52 0.00 0.00 175.17 177.60 1sh3 n VAL 287 N 6.12 1.22 0.00 1.11 0.24 -0.67 -1.25 118.33 125.09 1sh3 n VAL 287 Ca 0.09 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 1sh3 n VAL 287 Cb 0.48 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 1.37 2.02 0.15 7.63 0.00 -1.26 -4.52 105.19 110.57 1sh3 n GLY 288 Ca 0.23 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1sh3 n GLY 288 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sh3 h ASP 289 N 0.00 0.00 -3.92 1.61 2.03 -1.88 -3.14 116.42 111.13 1sh3 h ASP 289 Ca 0.00 -0.01 -0.38 0.00 -0.73 0.00 0.00 57.03 55.90 1sh3 h ASP 289 Cb 0.00 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.34 1sh3 h ASP 289 CO 0.00 0.01 -0.74 -0.36 -1.03 0.00 0.00 179.24 177.12 1sh3 s PHE 290 N -3.29 1.37 -0.30 4.15 0.08 -1.26 -2.14 117.98 116.59 1sh3 s PHE 290 Ca 0.03 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.39 1sh3 s PHE 290 Cb 0.08 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1sh3 s PHE 290 CO 0.74 0.14 0.06 0.99 -0.10 0.00 0.00 175.22 177.05 1sh3 s THR 291 N -2.70 3.67 0.32 0.64 2.01 0.29 -1.67 115.64 118.20 1sh3 s THR 291 Ca 0.13 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.27 1sh3 s THR 291 Cb -0.02 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1sh3 s THR 291 CO 0.02 -0.01 0.16 0.27 -0.69 0.00 0.00 174.62 174.38 1sh3 s ILE 292 N 1.42 3.39 -0.26 1.82 -4.36 -0.26 -0.16 121.20 122.80 1sh3 s ILE 292 Ca 0.00 -1.62 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1sh3 s ILE 292 Cb -0.18 -3.06 0.04 0.00 1.25 0.00 0.00 42.46 40.51 1sh3 s ILE 292 CO 0.01 -0.23 -0.05 -0.55 0.24 0.00 0.00 174.94 174.36 1sh3 s SER 293 N -3.85 4.45 -0.41 4.36 0.15 -0.92 -1.37 113.70 116.11 1sh3 s SER 293 Ca 0.37 -1.03 -0.12 0.00 0.70 0.00 0.00 55.95 55.86 1sh3 s SER 293 Cb -0.05 -1.66 0.05 0.00 -1.71 0.00 0.00 66.02 62.65 1sh3 s SER 293 CO 0.23 -0.17 0.27 -0.63 1.20 0.00 0.00 173.24 174.15 1sh3 s ILE 294 N 1.28 4.74 -2.02 6.45 -1.09 0.16 -3.89 121.20 126.83 1sh3 s ILE 294 Ca -0.02 -0.98 0.26 0.00 -2.23 0.00 0.00 60.65 57.67 1sh3 s ILE 294 Cb -0.18 -3.73 0.24 0.00 -1.58 0.00 0.00 42.46 37.21 1sh3 s ILE 294 CO -0.04 -0.37 1.47 -0.46 -1.23 0.00 0.00 174.94 174.31 1sh3 n ASN 295 N 5.05 1.46 -4.74 3.58 0.23 -1.26 -0.80 115.26 118.77 1sh3 n ASN 295 Ca -0.11 -1.20 -0.30 0.00 -0.53 0.00 0.00 54.58 52.43 1sh3 n ASN 295 Cb 0.45 0.18 -0.08 0.00 -2.08 0.00 0.00 39.78 38.26 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 -2.38 2.15 0.13 -3.83 0.41 -1.26 -4.80 118.70 109.12 1sh3 s GLU 296 Ca 0.25 -2.24 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 1sh3 s GLU 296 Cb 0.19 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.88 1sh3 s GLU 296 CO 0.49 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 1sh3 n GLY 297 N -1.25 -1.68 3.35 -1.39 0.00 -1.13 -4.88 105.19 98.20 1sh3 n GLY 297 Ca -0.12 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.32 2.74 -0.05 0.99 2.96 -0.16 -4.73 118.68 116.12 1sh3 s LEU 298 Ca 0.00 -0.35 -0.36 0.00 -0.22 0.00 0.00 54.13 53.20 1sh3 s LEU 298 Cb 0.00 -1.64 -0.14 0.00 0.50 0.00 0.00 46.19 44.91 1sh3 s LEU 298 CO 0.00 0.12 1.70 -2.65 -1.32 0.00 0.00 176.35 174.20 1sh3 n PRO 299 N 3.83 1.77 -3.67 0.98 -0.02 -1.26 -4.54 135.00 132.10 1sh3 n PRO 299 Ca -0.18 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 1sh3 n PRO 299 Cb 0.52 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1sh3 n PRO 299 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sh3 s SER 300 N 2.67 6.38 0.00 2.55 1.04 -1.26 -4.37 113.70 120.70 1sh3 s SER 300 Ca 0.90 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1sh3 s SER 300 Cb -0.82 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.17 1sh3 s SER 300 CO 0.51 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.55 1sh3 n GLY 301 N 3.00 0.74 3.55 7.32 0.00 -1.26 -1.65 105.19 116.89 1sh3 n GLY 301 Ca -0.15 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1sh3 n GLY 301 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sh3 s VAL 302 N -2.00 4.90 0.19 1.61 1.01 -1.26 -4.80 120.40 120.05 1sh3 s VAL 302 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1sh3 s VAL 302 Cb 0.00 -4.10 0.28 0.00 0.00 0.00 0.00 36.38 32.56 1sh3 s VAL 302 CO 0.00 -0.39 1.00 -2.65 0.00 0.00 0.00 175.10 173.07 1sh3 n PRO 303 N 6.05 -0.05 -1.26 2.72 -0.02 -1.26 -0.72 135.00 140.45 1sh3 n PRO 303 Ca -0.02 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 62.13 1sh3 n PRO 303 Cb 0.48 -1.51 0.11 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.90 0.00 0.09 0.00 -2.24 0.10 -4.69 114.28 106.65 1sh3 n THR 305 Ca 0.60 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1sh3 n THR 305 Cb 0.94 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 70.25 1sh3 n THR 305 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sh3 h SER 306 N 1.29 -0.47 -0.31 3.42 0.02 -1.78 -1.08 113.55 114.65 1sh3 h SER 306 Ca 0.00 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1sh3 h SER 306 Cb 0.36 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1sh3 h SER 306 CO 0.00 -0.24 -0.51 1.56 -1.14 0.00 0.00 176.83 176.50 1sh3 h GLN 307 N -0.32 0.89 -0.59 3.45 4.20 -1.93 -1.77 115.11 119.04 1sh3 h GLN 307 Ca 0.03 -0.55 0.09 0.00 0.06 0.00 0.00 58.65 58.28 1sh3 h GLN 307 Cb 0.34 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 1sh3 h GLN 307 CO -0.10 1.19 0.22 2.35 -0.67 0.00 0.00 178.83 181.81 1sh3 h TRP 308 N 0.70 0.38 -0.55 2.96 7.01 -1.82 -0.33 115.95 124.30 1sh3 h TRP 308 Ca 0.02 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.98 1sh3 h TRP 308 Cb 1.12 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.08 1sh3 h TRP 308 CO 0.07 0.10 0.05 -0.97 -2.79 0.00 0.00 178.44 174.90 1sh3 h ASN 309 N 0.40 0.92 -0.66 2.65 -1.24 -1.01 -2.47 115.58 114.17 1sh3 h ASN 309 Ca 0.29 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1sh3 h ASN 309 Cb 0.35 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1sh3 h ASN 309 CO -0.29 0.97 0.20 0.28 -1.29 0.00 0.00 177.43 177.30 1sh3 h SER 310 N 0.83 0.96 -0.58 1.15 0.02 -0.92 0.21 113.55 115.22 1sh3 h SER 310 Ca 0.16 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1sh3 h SER 310 Cb 0.48 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1sh3 h SER 310 CO 0.02 0.92 0.38 0.40 -1.14 0.00 0.00 176.83 177.41 1sh3 h ILE 311 N 0.95 1.14 -0.16 3.27 2.04 -0.91 0.53 117.51 124.39 1sh3 h ILE 311 Ca 0.21 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1sh3 h ILE 311 Cb 0.31 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1sh3 h ILE 311 CO -0.00 0.14 -0.15 0.00 0.00 0.00 0.00 178.15 178.14 1sh3 h ALA 312 N 1.64 0.23 -0.54 1.87 0.00 -0.85 0.15 119.26 121.76 1sh3 h ALA 312 Ca 0.21 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1sh3 h ALA 312 Cb -0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 1sh3 h ALA 312 CO -0.05 0.11 -0.14 1.25 0.00 0.00 0.00 179.25 180.42 1sh3 h HIS 313 N 0.01 -0.31 0.62 0.00 6.17 0.13 0.32 115.15 122.09 1sh3 h HIS 313 Ca 0.03 0.05 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 1sh3 h HIS 313 Cb 0.67 0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.81 1sh3 h HIS 313 CO 0.08 -0.24 -0.50 2.35 0.71 0.00 0.00 177.93 180.33 1sh3 h TRP 314 N -0.01 -1.37 -0.89 5.26 2.91 0.32 -1.47 115.95 120.70 1sh3 h TRP 314 Ca 0.26 0.00 0.21 0.00 1.13 0.00 0.00 58.89 60.49 1sh3 h TRP 314 Cb 0.40 0.52 -0.16 0.00 -0.51 0.00 0.00 29.16 29.41 1sh3 h TRP 314 CO -0.46 -0.70 -0.03 -0.07 -1.03 0.00 0.00 178.44 176.15 1sh3 h LEU 315 N -1.09 -0.50 -0.39 0.65 3.38 -0.22 -1.53 115.31 115.61 1sh3 h LEU 315 Ca -0.08 0.25 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1sh3 h LEU 315 Cb 0.92 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1sh3 h LEU 315 CO 0.00 -0.27 -0.24 -0.07 0.09 0.00 0.00 178.44 177.95 1sh3 h LEU 316 N 0.05 0.89 0.11 1.67 3.38 -0.40 -1.78 115.31 119.22 1sh3 h LEU 316 Ca 0.50 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1sh3 h LEU 316 Cb 0.92 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sh3 h LEU 316 CO -0.83 1.12 -0.05 0.74 0.09 0.00 0.00 178.44 179.51 1sh3 h THR 317 N 0.66 1.03 -0.71 0.22 2.02 -0.33 0.44 112.91 116.24 1sh3 h THR 317 Ca 0.08 -0.51 0.14 0.00 0.77 0.00 0.00 66.41 66.89 1sh3 h THR 317 Cb 0.81 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.47 1sh3 h THR 317 CO 0.07 0.12 0.22 -0.07 0.37 0.00 0.00 175.52 176.23 1sh3 h LEU 318 N -0.38 0.13 0.39 2.58 3.38 -1.32 0.37 115.31 120.47 1sh3 h LEU 318 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1sh3 h LEU 318 Cb 0.31 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sh3 h LEU 318 CO 0.02 0.04 -0.19 0.00 0.09 0.00 0.00 178.44 178.40 1sh3 n ALA 320 N -2.28 -0.37 -0.11 0.00 0.00 0.15 0.31 120.51 118.22 1sh3 n ALA 320 Ca -0.07 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 1sh3 n ALA 320 Cb 0.21 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.79 1sh3 n ALA 320 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sh3 h LEU 321 N 0.00 -0.01 0.00 0.00 3.38 -0.35 -1.91 115.31 116.42 1sh3 h LEU 321 Ca 0.09 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sh3 h LEU 321 Cb 0.24 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1sh3 h LEU 321 CO -0.54 0.03 -0.10 -1.28 0.09 0.00 0.00 178.44 176.64 1sh3 h SER 322 N 0.18 -0.28 -0.45 -0.43 0.87 0.35 -1.89 113.55 111.91 1sh3 h SER 322 Ca 0.18 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1sh3 h SER 322 Cb 0.21 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1sh3 h SER 322 CO -0.24 -0.14 0.27 -0.33 -0.53 0.00 0.00 176.83 175.86 1sh3 h GLU 323 N -0.17 0.61 0.00 2.24 5.08 0.15 0.29 114.58 122.78 1sh3 h GLU 323 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sh3 h GLU 323 Cb 0.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1sh3 h GLU 323 CO -0.10 0.44 0.00 -0.39 -1.00 0.00 0.00 179.01 177.96 1sh3 h VAL 324 N 0.60 0.00 0.00 3.13 -1.51 -1.31 -3.29 116.25 113.87 1sh3 h VAL 324 Ca 0.16 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1sh3 h VAL 324 Cb -0.01 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1sh3 h VAL 324 CO -0.03 0.00 -1.22 1.07 -1.23 0.00 0.00 177.57 176.16 1sh3 n THR 325 N -2.40 0.00 -3.31 7.19 5.66 -0.72 -4.91 114.28 115.80 1sh3 n THR 325 Ca 0.05 -0.26 -0.18 0.00 -3.05 0.00 0.00 64.05 60.61 1sh3 n THR 325 Cb 0.43 0.48 0.06 0.00 -1.55 0.00 0.00 70.33 69.75 1sh3 n THR 325 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1sh3 n ASN 326 N -1.70 -5.29 -4.12 1.09 5.15 0.99 -5.04 115.26 106.33 1sh3 n ASN 326 Ca -0.01 -0.40 -0.21 0.00 -0.60 0.00 0.00 54.58 53.37 1sh3 n ASN 326 Cb 0.27 -3.89 -0.14 0.00 -0.53 0.00 0.00 39.78 35.49 1sh3 n ASN 326 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sh3 s LEU 327 N -5.70 2.12 0.24 1.20 1.43 -1.13 -5.07 118.68 111.77 1sh3 s LEU 327 Ca 0.43 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 1sh3 s LEU 327 Cb -0.19 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.29 1sh3 s LEU 327 CO 0.54 0.08 1.53 -0.94 0.23 0.00 0.00 176.35 177.79 1sh3 s SER 328 N -0.83 6.53 0.43 2.29 1.04 -1.26 -4.43 113.70 117.46 1sh3 s SER 328 Ca 0.03 2.76 0.30 0.00 0.48 0.00 0.00 55.95 59.52 1sh3 s SER 328 Cb -0.07 -2.62 1.46 0.00 0.10 0.00 0.00 66.02 64.89 1sh3 s SER 328 CO 0.01 -0.81 1.59 -0.65 0.98 0.00 0.00 173.24 174.35 1sh3 h PRO 329 N 5.42 0.02 -0.50 4.02 0.11 -1.89 0.58 132.00 139.75 1sh3 h PRO 329 Ca -0.45 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 1sh3 h PRO 329 Cb 1.21 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1sh3 h PRO 329 CO 0.82 0.01 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.04 1sh3 h ASP 330 N 0.02 -0.53 -0.35 -2.05 3.32 -1.89 0.41 116.42 115.35 1sh3 h ASP 330 Ca 0.87 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 58.03 1sh3 h ASP 330 Cb 2.69 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 42.56 1sh3 h ASP 330 CO -0.52 -0.18 0.04 0.40 -1.72 0.00 0.00 179.24 177.25 1sh3 h ILE 331 N -0.03 1.25 -0.01 0.35 2.04 -0.20 0.27 117.51 121.18 1sh3 h ILE 331 Ca 0.24 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1sh3 h ILE 331 Cb 0.39 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1sh3 h ILE 331 CO -0.53 0.30 -0.26 0.40 0.00 0.00 0.00 178.15 178.06 1sh3 h ILE 332 N 0.41 0.42 -0.63 -0.67 1.08 -0.91 -0.21 117.51 117.01 1sh3 h ILE 332 Ca 0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 1sh3 h ILE 332 Cb 0.39 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 1sh3 h ILE 332 CO 0.01 0.00 0.39 -0.61 -0.69 0.00 0.00 178.15 177.25 1sh3 h GLN 333 N -0.39 0.74 0.00 2.37 5.75 -0.01 -1.55 115.11 122.02 1sh3 h GLN 333 Ca 0.07 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1sh3 h GLN 333 Cb 0.48 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1sh3 h GLN 333 CO -0.23 0.49 0.00 0.00 -2.65 0.00 0.00 178.83 176.43 1sh3 h ALA 334 N 1.27 1.00 0.00 3.38 0.00 0.03 -2.96 119.26 121.98 1sh3 h ALA 334 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1sh3 h ALA 334 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1sh3 h ALA 334 CO -0.10 0.00 -0.48 0.09 0.00 0.00 0.00 179.25 178.76 1sh3 n ASN 335 N -2.79 1.69 -3.60 0.00 3.02 -0.13 -5.05 115.26 108.39 1sh3 n ASN 335 Ca -0.01 -3.51 -0.12 0.00 -0.03 0.00 0.00 54.58 50.90 1sh3 n ASN 335 Cb 0.12 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.98 0.48 -0.13 6.41 0.01 -0.92 -1.11 113.70 115.45 1sh3 s SER 336 Ca 0.36 -1.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.28 1sh3 s SER 336 Cb 0.35 0.61 0.06 0.00 0.21 0.00 0.00 66.02 67.25 1sh3 s SER 336 CO -0.06 -1.20 0.28 -0.22 0.41 0.00 0.00 173.24 172.45 1sh3 s LEU 337 N -3.15 -0.22 0.11 2.44 2.96 0.01 -4.92 118.68 115.90 1sh3 s LEU 337 Ca 0.29 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1sh3 s LEU 337 Cb 0.00 0.79 -0.04 0.00 0.50 0.00 0.00 46.19 47.44 1sh3 s LEU 337 CO 0.15 -0.23 0.09 -0.36 -1.32 0.00 0.00 176.35 174.69 1sh3 s PHE 338 N 2.22 3.15 -0.16 5.38 0.08 -1.26 -1.88 117.98 125.50 1sh3 s PHE 338 Ca -0.01 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1sh3 s PHE 338 Cb -0.12 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 1sh3 s PHE 338 CO -0.09 0.52 -0.15 -1.12 -0.10 0.00 0.00 175.22 174.28 1sh3 s SER 339 N -2.62 2.89 -0.07 1.36 0.01 -0.27 -4.26 113.70 110.74 1sh3 s SER 339 Ca 0.29 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1sh3 s SER 339 Cb -0.11 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1sh3 s SER 339 CO 0.22 -0.05 -0.17 -0.36 0.41 0.00 0.00 173.24 173.29 1sh3 s PHE 340 N 1.43 1.80 -0.44 2.43 0.08 0.82 -1.30 117.98 122.80 1sh3 s PHE 340 Ca 0.04 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1sh3 s PHE 340 Cb -0.13 -1.25 0.16 0.00 -0.57 0.00 0.00 43.02 41.23 1sh3 s PHE 340 CO -0.11 -0.28 0.32 -0.47 -0.10 0.00 0.00 175.22 174.58 1sh3 s TYR 341 N 0.39 1.39 0.00 0.36 6.14 -0.31 -1.01 117.35 124.31 1sh3 s TYR 341 Ca -0.12 -2.30 0.00 0.00 0.64 0.00 0.00 57.07 55.28 1sh3 s TYR 341 Cb -0.15 -1.23 0.00 0.00 0.42 0.00 0.00 41.96 41.00 1sh3 s TYR 341 CO 0.05 -0.79 0.00 0.41 0.64 0.00 0.00 175.55 175.85 1sh3 n GLY 342 N 3.08 1.32 0.05 8.97 0.00 -1.26 -2.06 105.19 115.29 1sh3 n GLY 342 Ca 0.23 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.59 1sh3 n GLY 342 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sh3 n ASP 343 N 10.63 0.62 -4.78 1.61 5.68 -1.26 -4.33 116.55 124.72 1sh3 n ASP 343 Ca 0.00 0.04 -0.37 0.00 -0.50 0.00 0.00 54.79 53.97 1sh3 n ASP 343 Cb 0.00 0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 1sh3 n ASP 343 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sh3 s ASP 344 N -3.86 6.98 -0.19 -1.12 -1.08 -0.87 -4.65 116.67 111.88 1sh3 s ASP 344 Ca 0.08 1.96 -0.19 0.00 -0.52 0.00 0.00 52.55 53.88 1sh3 s ASP 344 Cb 0.15 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 1sh3 s ASP 344 CO 0.71 -0.33 0.52 -1.83 0.52 0.00 0.00 175.17 174.76 1sh3 s GLU 345 N -2.36 0.63 -0.16 4.34 -1.05 -1.26 -1.16 118.70 117.68 1sh3 s GLU 345 Ca 0.55 0.69 0.01 0.00 -0.15 0.00 0.00 54.97 56.07 1sh3 s GLU 345 Cb -0.20 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1sh3 s GLU 345 CO 0.26 -0.08 -0.18 0.42 0.95 0.00 0.00 175.26 176.62 1sh3 s ILE 346 N 0.19 1.88 -0.28 1.83 1.01 -0.42 -4.72 121.20 120.69 1sh3 s ILE 346 Ca -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1sh3 s ILE 346 Cb -0.04 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 1sh3 s ILE 346 CO 0.01 0.51 0.07 -0.69 0.00 0.00 0.00 174.94 174.84 1sh3 s VAL 347 N 1.26 4.03 -0.05 2.92 1.01 -0.95 -1.11 120.40 127.51 1sh3 s VAL 347 Ca 0.03 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1sh3 s VAL 347 Cb -0.13 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1sh3 s VAL 347 CO -0.10 0.18 -0.20 -0.44 0.00 0.00 0.00 175.10 174.53 1sh3 s SER 348 N 1.53 3.49 0.11 3.32 0.01 -0.79 -1.94 113.70 119.43 1sh3 s SER 348 Ca 0.04 -0.37 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 1sh3 s SER 348 Cb -0.16 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.29 1sh3 s SER 348 CO 0.02 0.29 0.27 0.28 0.41 0.00 0.00 173.24 174.51 1sh3 s THR 349 N -0.43 0.11 -0.46 1.44 -1.32 -0.32 -0.81 115.64 113.86 1sh3 s THR 349 Ca 0.04 -1.01 0.22 0.00 -1.21 0.00 0.00 61.69 59.73 1sh3 s THR 349 Cb -0.12 -1.33 -0.29 0.00 -1.51 0.00 0.00 72.50 69.25 1sh3 s THR 349 CO 0.02 -0.51 0.67 0.47 -2.21 0.00 0.00 174.62 173.06 1sh3 n ASP 350 N -0.13 0.44 -4.72 8.08 8.00 -0.27 -1.23 116.55 126.73 1sh3 n ASP 350 Ca -0.15 -0.43 -0.41 0.00 0.71 0.00 0.00 54.79 54.51 1sh3 n ASP 350 Cb 0.63 1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 43.23 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 -3.29 4.75 -0.06 0.53 1.01 -1.26 -4.89 121.20 117.99 1sh3 s ILE 351 Ca -0.01 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 1sh3 s ILE 351 Cb 0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1sh3 s ILE 351 CO 0.89 0.23 1.33 -0.75 0.00 0.00 0.00 174.94 176.64 1sh3 s LYS 352 N 0.60 4.28 -0.06 2.79 2.20 -1.26 -4.95 119.74 123.34 1sh3 s LYS 352 Ca 0.49 1.83 -0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1sh3 s LYS 352 Cb -0.22 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.42 1sh3 s LYS 352 CO 0.28 -0.59 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.14 1sh3 s LEU 353 N 2.73 3.40 -0.43 5.43 1.43 -1.26 -5.03 118.68 124.95 1sh3 s LEU 353 Ca 0.60 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 1sh3 s LEU 353 Cb -0.27 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1sh3 s LEU 353 CO 0.23 0.35 1.13 -0.62 0.23 0.00 0.00 176.35 177.67 1sh3 s ASP 354 N -1.00 6.71 0.24 2.29 -1.08 -1.26 -4.94 116.67 117.63 1sh3 s ASP 354 Ca 0.14 0.65 -0.06 0.00 -0.52 0.00 0.00 52.55 52.76 1sh3 s ASP 354 Cb -0.11 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.07 1sh3 s ASP 354 CO 0.04 -1.16 1.90 1.55 0.52 0.00 0.00 175.17 178.02 1sh3 h PRO 355 N 8.96 1.14 -0.00 4.34 0.13 -1.98 -1.00 132.00 143.59 1sh3 h PRO 355 Ca -0.22 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1sh3 h PRO 355 Cb 1.06 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1sh3 h PRO 355 CO 1.10 0.76 0.00 0.93 -0.23 0.00 0.00 178.00 180.56 1sh3 h GLU 356 N 1.18 0.01 -0.65 0.86 4.39 -1.92 -0.80 114.58 117.65 1sh3 h GLU 356 Ca 0.36 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1sh3 h GLU 356 Cb -0.03 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1sh3 h GLU 356 CO -0.11 0.02 0.42 -0.22 -1.16 0.00 0.00 179.01 177.96 1sh3 h LYS 357 N -0.02 0.82 -0.42 2.33 3.64 -1.87 0.18 116.57 121.24 1sh3 h LYS 357 Ca 0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1sh3 h LYS 357 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1sh3 h LYS 357 CO -0.00 0.54 -0.29 1.25 -2.27 0.00 0.00 179.45 178.68 1sh3 h LEU 358 N 0.84 0.98 -0.16 5.20 5.85 -1.09 -0.99 115.31 125.93 1sh3 h LEU 358 Ca 0.25 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1sh3 h LEU 358 Cb -0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1sh3 h LEU 358 CO -0.07 1.21 0.03 0.74 -0.34 0.00 0.00 178.44 180.00 1sh3 h THR 359 N 0.77 1.22 -0.34 1.05 2.02 -0.87 -0.89 112.91 115.87 1sh3 h THR 359 Ca 0.08 -0.72 0.07 0.00 0.77 0.00 0.00 66.41 66.62 1sh3 h THR 359 Cb 0.88 1.38 -0.08 0.00 -1.74 0.00 0.00 68.15 68.59 1sh3 h THR 359 CO 0.08 0.22 -0.34 0.00 0.37 0.00 0.00 175.52 175.85 1sh3 h ALA 360 N 0.82 -0.25 -0.68 6.16 0.00 -0.62 -2.45 119.26 122.23 1sh3 h ALA 360 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sh3 h ALA 360 Cb 0.31 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1sh3 h ALA 360 CO 0.00 -0.76 0.28 -0.22 0.00 0.00 0.00 179.25 178.55 1sh3 h LYS 361 N -0.29 1.01 -0.74 0.00 1.63 -0.98 -1.88 116.57 115.33 1sh3 h LYS 361 Ca 0.15 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1sh3 h LYS 361 Cb 0.55 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1sh3 h LYS 361 CO -0.50 0.84 0.36 -0.07 -3.45 0.00 0.00 179.45 176.62 1sh3 h LEU 362 N 0.96 0.95 -0.99 5.20 3.38 -1.02 -1.34 115.31 122.45 1sh3 h LEU 362 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1sh3 h LEU 362 Cb 0.20 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sh3 h LEU 362 CO -0.02 0.80 -0.06 0.11 0.09 0.00 0.00 178.44 179.36 1sh3 h LYS 363 N 1.04 0.00 -0.35 1.13 1.57 -0.94 -2.56 116.57 116.46 1sh3 h LYS 363 Ca 0.26 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1sh3 h LYS 363 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1sh3 h LYS 363 CO -0.03 0.06 -0.20 1.49 -0.57 0.00 0.00 179.45 180.19 1sh3 h GLU 364 N 0.00 0.75 0.00 3.15 4.81 -0.47 -2.17 114.58 120.65 1sh3 h GLU 364 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1sh3 h GLU 364 Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1sh3 h GLU 364 CO 0.01 0.96 0.00 0.66 -0.73 0.00 0.00 179.01 179.91 1sh3 n TYR 365 N -4.29 0.00 -0.69 0.92 4.01 -0.94 -0.56 117.16 115.62 1sh3 n TYR 365 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1sh3 n TYR 365 Cb 0.42 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1sh3 n TYR 365 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh3 n GLY 366 N -0.22 0.76 3.87 2.72 0.00 -0.81 -4.24 105.19 107.27 1sh3 n GLY 366 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1sh3 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh3 s LEU 367 N 0.00 3.06 -0.54 0.99 1.43 -0.98 -4.77 118.68 117.86 1sh3 s LEU 367 Ca 0.00 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1sh3 s LEU 367 Cb 0.00 -4.20 0.15 0.00 0.03 0.00 0.00 46.19 42.17 1sh3 s LEU 367 CO 0.00 -1.13 0.34 -0.54 0.23 0.00 0.00 176.35 175.25 1sh3 s LYS 368 N -5.27 1.79 0.30 1.70 -0.14 -1.26 -4.11 119.74 112.75 1sh3 s LYS 368 Ca 0.57 -2.61 -0.29 0.00 -1.36 0.00 0.00 55.97 52.28 1sh3 s LYS 368 Cb -0.11 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.13 1sh3 s LYS 368 CO 0.53 -1.22 1.27 -2.14 -0.76 0.00 0.00 175.35 173.03 1sh3 s PRO 369 N -0.44 4.42 -0.06 -1.68 0.02 -1.26 -0.15 135.00 135.85 1sh3 s PRO 369 Ca 0.22 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.39 1sh3 s PRO 369 Cb -0.15 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 1sh3 s PRO 369 CO -0.08 -0.12 -0.16 0.99 -0.33 0.00 0.00 177.00 177.30 1sh3 s THR 370 N -0.98 2.88 0.32 0.99 2.01 0.16 -4.86 115.64 116.15 1sh3 s THR 370 Ca 0.49 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 1sh3 s THR 370 Cb -0.38 -2.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 1sh3 s THR 370 CO 0.49 0.58 0.79 -0.13 -0.69 0.00 0.00 174.62 175.65 1sh3 s ARG 371 N -0.48 4.15 0.34 4.92 0.52 -1.26 -4.33 118.95 122.81 1sh3 s ARG 371 Ca 0.06 0.85 0.06 0.00 -0.52 0.00 0.00 55.73 56.18 1sh3 s ARG 371 Cb -0.12 -2.52 0.71 0.00 0.52 0.00 0.00 34.95 33.54 1sh3 s ARG 371 CO 0.02 0.19 1.90 -1.35 0.02 0.00 0.00 175.30 176.07 1sh3 h PRO 372 N 2.55 0.79 -0.46 3.54 0.11 -1.94 -0.11 132.00 136.47 1sh3 h PRO 372 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sh3 h PRO 372 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sh3 h PRO 372 CO 0.64 0.52 0.00 -0.40 -0.21 0.00 0.00 178.00 178.56 1sh3 n ASP 373 N -4.53 2.39 0.00 -2.05 5.68 -1.26 -4.94 116.55 111.83 1sh3 n ASP 373 Ca 0.15 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1sh3 n ASP 373 Cb 0.34 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1sh3 n ASP 373 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sh3 n LYS 374 N 0.62 -0.75 -2.47 0.11 5.02 -0.05 -4.95 118.16 115.69 1sh3 n LYS 374 Ca 0.14 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.29 1sh3 n LYS 374 Cb 0.41 -4.65 -0.04 0.00 -0.02 0.00 0.00 35.03 30.73 1sh3 n LYS 374 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sh3 s THR 375 N -1.04 4.53 0.07 -0.18 -4.23 -1.26 -4.89 115.64 108.63 1sh3 s THR 375 Ca 0.00 1.22 -0.31 0.00 -1.18 0.00 0.00 61.69 61.43 1sh3 s THR 375 Cb 0.00 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 1sh3 s THR 375 CO 0.00 -0.64 1.28 -1.83 -0.54 0.00 0.00 174.62 172.89 1sh3 s GLU 376 N -3.95 4.38 0.00 3.99 -1.05 -1.26 -4.53 118.70 116.28 1sh3 s GLU 376 Ca 0.59 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 1sh3 s GLU 376 Cb -0.10 -3.34 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 1sh3 s GLU 376 CO 0.29 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1sh3 n GLY 377 N 3.34 2.59 3.76 -3.83 0.00 -1.26 -5.16 105.19 104.63 1sh3 n GLY 377 Ca 0.10 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.05 1.98 0.69 1.61 0.04 -1.26 -4.82 135.00 131.19 1sh3 s PRO 378 Ca 0.00 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1sh3 s PRO 378 Cb 0.00 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1sh3 s PRO 378 CO 0.00 -1.80 1.26 -0.51 0.04 0.00 0.00 177.00 175.99 1sh3 s LEU 379 N -5.99 3.45 -0.23 -3.56 1.43 -1.26 -4.92 118.68 107.59 1sh3 s LEU 379 Ca 0.62 2.52 -0.09 0.00 -1.03 0.00 0.00 54.13 56.14 1sh3 s LEU 379 Cb -0.17 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.40 1sh3 s LEU 379 CO 0.56 -2.17 0.12 -0.69 0.23 0.00 0.00 176.35 174.41 1sh3 s VAL 380 N -1.66 5.00 -0.13 -1.59 1.01 -1.26 -4.84 120.40 116.93 1sh3 s VAL 380 Ca 0.79 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1sh3 s VAL 380 Cb -0.34 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1sh3 s VAL 380 CO 0.42 0.36 0.05 -0.63 0.00 0.00 0.00 175.10 175.30 1sh3 s ILE 381 N 1.11 4.67 0.05 2.22 1.01 -1.26 -4.57 121.20 124.43 1sh3 s ILE 381 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1sh3 s ILE 381 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1sh3 s ILE 381 CO 0.04 0.54 -0.23 -0.55 0.00 0.00 0.00 174.94 174.75 1sh3 s SER 382 N -0.33 2.73 0.00 3.58 0.15 0.47 -4.94 113.70 115.37 1sh3 s SER 382 Ca 0.08 -0.57 0.12 0.00 0.70 0.00 0.00 55.95 56.28 1sh3 s SER 382 Cb -0.12 -0.22 0.41 0.00 -1.71 0.00 0.00 66.02 64.37 1sh3 s SER 382 CO 0.02 0.18 1.31 -0.62 1.20 0.00 0.00 173.24 175.33 1sh3 n GLU 383 N 1.70 1.66 -3.74 5.44 1.02 -1.26 -0.98 120.64 124.48 1sh3 n GLU 383 Ca -0.17 -1.02 -0.21 0.00 -0.02 0.00 0.00 57.16 55.73 1sh3 n GLU 383 Cb 0.53 -1.27 -0.18 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.15 1.36 0.38 1.62 2.15 -1.26 -4.86 116.67 114.91 1sh3 s ASP 384 Ca 0.23 -0.02 0.14 0.00 0.43 0.00 0.00 52.55 53.33 1sh3 s ASP 384 Cb 0.12 -0.31 0.77 0.00 -0.30 0.00 0.00 42.92 43.20 1sh3 s ASP 384 CO 0.17 -0.21 1.84 0.25 -0.17 0.00 0.00 175.17 177.04 1sh3 h LEU 385 N 8.32 0.00 -9.00 -1.34 5.85 -1.94 -3.44 115.31 113.75 1sh3 h LEU 385 Ca -0.18 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.85 1sh3 h LEU 385 Cb 1.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.16 1sh3 h LEU 385 CO 0.23 0.36 1.09 -3.20 -0.34 0.00 0.00 178.44 176.57 1sh3 n ASN 386 N -4.01 2.53 0.00 1.25 5.15 -1.26 -1.43 115.26 117.49 1sh3 n ASN 386 Ca -0.02 0.88 0.00 0.00 -0.60 0.00 0.00 54.58 54.84 1sh3 n ASN 386 Cb 0.40 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1sh3 n ASN 386 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sh3 n GLY 387 N 4.90 0.38 3.76 8.20 0.00 -0.44 -5.04 105.19 116.95 1sh3 n GLY 387 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 1.64 -0.05 0.99 1.02 -0.52 -4.80 118.68 116.97 1sh3 s LEU 388 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 54.13 54.47 1sh3 s LEU 388 Cb 0.00 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1sh3 s LEU 388 CO 0.00 -3.60 0.11 -0.89 0.02 0.00 0.00 176.35 171.99 1sh3 s THR 389 N -3.48 -0.02 -0.11 5.49 2.01 -1.26 -0.93 115.64 117.34 1sh3 s THR 389 Ca 0.74 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 1sh3 s THR 389 Cb -0.05 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.32 1sh3 s THR 389 CO 0.55 0.04 0.36 0.12 -0.69 0.00 0.00 174.62 174.99 1sh3 s PHE 390 N 0.57 -0.36 -1.51 4.92 5.36 -0.27 -4.68 117.98 122.00 1sh3 s PHE 390 Ca -0.04 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1sh3 s PHE 390 Cb -0.06 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1sh3 s PHE 390 CO -0.02 -0.24 0.09 1.28 -1.46 0.00 0.00 175.22 174.87 1sh3 n LEU 391 N 2.50 -1.16 -1.46 6.12 4.77 -1.26 0.30 117.00 126.82 1sh3 n LEU 391 Ca -0.15 -1.23 -0.19 0.00 -0.03 0.00 0.00 56.01 54.41 1sh3 n LEU 391 Cb 0.57 -1.70 -0.08 0.00 -2.33 0.00 0.00 43.42 39.88 1sh3 n LEU 391 CO 0.16 0.47 -0.18 0.54 -1.33 0.00 0.00 177.39 177.06 1sh3 n ARG 392 N -4.57 -1.50 -4.39 3.23 1.74 -1.26 -4.98 116.66 104.93 1sh3 n ARG 392 Ca -0.32 1.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.61 1sh3 n ARG 392 Cb 0.69 -5.54 -0.11 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.58 1.92 -0.19 5.56 1.81 0.15 -3.15 118.95 121.47 1sh3 s ARG 393 Ca 0.00 -1.10 -0.19 0.00 -1.72 0.00 0.00 55.73 52.72 1sh3 s ARG 393 Cb 0.00 -2.17 -0.03 0.00 -0.45 0.00 0.00 34.95 32.30 1sh3 s ARG 393 CO 0.00 0.50 0.56 0.99 -0.68 0.00 0.00 175.30 176.67 1sh3 s THR 394 N -1.09 5.08 0.03 0.02 2.01 0.15 -1.12 115.64 120.71 1sh3 s THR 394 Ca 0.18 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 1sh3 s THR 394 Cb -0.11 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1sh3 s THR 394 CO 0.09 0.17 1.05 0.68 -0.69 0.00 0.00 174.62 175.92 1sh3 s VAL 395 N 1.64 4.57 0.07 3.82 -7.23 -0.10 -2.04 120.40 121.12 1sh3 s VAL 395 Ca 0.26 1.85 0.04 0.00 -1.81 0.00 0.00 61.98 62.32 1sh3 s VAL 395 Cb -0.16 -4.19 -0.03 0.00 0.56 0.00 0.00 36.38 32.57 1sh3 s VAL 395 CO 0.10 0.15 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.04 1sh3 s THR 396 N 0.99 0.86 -0.12 5.32 2.01 -0.16 -1.33 115.64 123.21 1sh3 s THR 396 Ca 0.54 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1sh3 s THR 396 Cb -0.24 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1sh3 s THR 396 CO 0.29 -0.39 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.07 1sh3 s ARG 397 N -2.02 3.27 0.22 4.92 3.52 -1.26 -1.35 118.95 126.25 1sh3 s ARG 397 Ca -0.02 -0.73 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1sh3 s ARG 397 Cb -0.08 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 1sh3 s ARG 397 CO 0.01 0.22 -0.08 0.16 -0.81 0.00 0.00 175.30 174.80 1sh3 s ASP 398 N 0.30 2.31 0.46 -2.12 1.47 -0.94 -5.02 116.67 113.13 1sh3 s ASP 398 Ca -0.12 -1.11 0.37 0.00 1.18 0.00 0.00 52.55 52.87 1sh3 s ASP 398 Cb -0.16 -0.09 1.27 0.00 -0.34 0.00 0.00 42.92 43.60 1sh3 s ASP 398 CO 0.06 -0.33 1.22 -2.65 0.68 0.00 0.00 175.17 174.15 1sh3 n PRO 399 N -0.41 0.00 -0.03 2.11 -0.01 -1.26 -1.21 135.00 134.18 1sh3 n PRO 399 Ca -0.07 0.87 -0.14 0.00 -0.01 0.00 0.00 63.50 64.15 1sh3 n PRO 399 Cb 0.62 -2.03 -0.10 0.00 -0.01 0.00 0.00 33.50 31.98 1sh3 n PRO 399 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1sh3 h ALA 400 N 0.73 0.05 0.00 3.55 0.00 -2.01 -3.50 119.26 118.07 1sh3 h ALA 400 Ca 0.69 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1sh3 h ALA 400 Cb 2.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.72 1sh3 h ALA 400 CO -0.01 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1sh3 n GLY 401 N 0.67 -0.86 3.54 0.00 0.00 -0.35 -5.15 105.19 103.04 1sh3 n GLY 401 Ca -0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.00 2.74 0.19 1.61 0.52 -1.26 -2.22 118.94 116.52 1sh3 s TRP 402 Ca 0.00 -0.14 -0.20 0.00 0.02 0.00 0.00 56.10 55.78 1sh3 s TRP 402 Cb 0.00 -1.54 0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1sh3 s TRP 402 CO 0.00 0.32 0.58 -0.59 0.02 0.00 0.00 176.95 177.28 1sh3 s PHE 403 N -0.98 -0.30 -0.26 -1.98 -0.71 -0.45 -3.97 117.98 109.33 1sh3 s PHE 403 Ca 0.16 -0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 1sh3 s PHE 403 Cb -0.11 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1sh3 s PHE 403 CO 0.07 -0.93 0.06 0.20 -1.34 0.00 0.00 175.22 173.28 1sh3 s GLY 404 N -2.83 1.75 -0.04 1.99 0.00 -1.26 -0.98 107.32 105.95 1sh3 s GLY 404 Ca 0.06 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1sh3 s GLY 404 CO -0.06 0.55 -0.04 -1.59 0.00 0.00 0.00 173.10 171.96 1sh3 s LYS 405 N 1.57 2.74 0.06 2.90 -2.85 -0.86 -4.90 119.74 118.39 1sh3 s LYS 405 Ca 0.05 -0.58 -0.19 0.00 -1.00 0.00 0.00 55.97 54.26 1sh3 s LYS 405 Cb -0.16 -2.62 -0.06 0.00 -2.06 0.00 0.00 37.83 32.94 1sh3 s LYS 405 CO 0.02 0.65 0.54 -1.17 0.10 0.00 0.00 175.35 175.49 1sh3 s LEU 406 N -1.11 4.51 0.21 2.77 2.96 -1.26 0.32 118.68 127.08 1sh3 s LEU 406 Ca 0.15 1.21 -0.32 0.00 -0.22 0.00 0.00 54.13 54.94 1sh3 s LEU 406 Cb -0.11 -2.84 -0.14 0.00 0.50 0.00 0.00 46.19 43.60 1sh3 s LEU 406 CO 0.05 0.28 1.39 -0.62 -1.32 0.00 0.00 176.35 176.12 1sh3 n GLU 407 N 1.79 1.87 -0.18 1.98 1.02 -1.19 -4.82 120.64 121.11 1sh3 n GLU 407 Ca -0.11 0.67 -0.02 0.00 -0.02 0.00 0.00 57.16 57.68 1sh3 n GLU 407 Cb 0.51 -2.31 0.08 0.00 -0.02 0.00 0.00 31.44 29.70 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 4.33 0.40 -0.86 3.49 4.20 -1.95 -1.19 115.11 123.53 1sh3 h GLN 408 Ca -0.45 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.31 1sh3 h GLN 408 Cb 1.29 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 1sh3 h GLN 408 CO 0.77 0.27 0.56 0.66 -0.67 0.00 0.00 178.83 180.41 1sh3 h SER 409 N 0.41 0.84 -0.02 1.46 4.64 -1.98 0.86 113.55 119.76 1sh3 h SER 409 Ca 0.27 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sh3 h SER 409 Cb 0.29 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1sh3 h SER 409 CO -0.26 0.53 0.01 0.28 -0.87 0.00 0.00 176.83 176.53 1sh3 h SER 410 N 0.95 0.02 0.52 4.97 0.02 -1.58 0.14 113.55 118.59 1sh3 h SER 410 Ca 0.37 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1sh3 h SER 410 Cb 0.24 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1sh3 h SER 410 CO -0.14 0.10 -0.40 0.40 -1.14 0.00 0.00 176.83 175.65 1sh3 h ILE 411 N -0.05 0.20 -0.25 3.27 2.04 -1.08 -2.88 117.51 118.75 1sh3 h ILE 411 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1sh3 h ILE 411 Cb 0.08 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 1sh3 h ILE 411 CO -0.00 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.73 1sh3 h LEU 412 N -0.90 -1.13 -0.95 1.44 3.38 -0.71 -0.59 115.31 115.85 1sh3 h LEU 412 Ca -0.06 0.17 0.23 0.00 0.09 0.00 0.00 57.88 58.32 1sh3 h LEU 412 Cb 0.76 0.49 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1sh3 h LEU 412 CO 0.01 -0.36 -0.08 0.54 0.09 0.00 0.00 178.44 178.64 1sh3 n ARG 413 N -5.42 -0.08 0.06 1.13 1.74 0.47 0.07 116.66 114.63 1sh3 n ARG 413 Ca -0.02 1.45 0.12 0.00 -0.77 0.00 0.00 57.85 58.64 1sh3 n ARG 413 Cb 0.34 -2.25 0.48 0.00 -1.02 0.00 0.00 32.46 30.01 1sh3 n ARG 413 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1sh3 n GLN 414 N -5.47 0.12 -0.11 5.56 6.02 -0.25 -2.21 117.38 121.05 1sh3 n GLN 414 Ca 0.20 0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 1sh3 n GLN 414 Cb 0.63 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 1sh3 n GLN 414 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1sh3 h MET 415 N 0.00 0.51 0.00 -1.09 2.86 -0.16 -3.31 114.93 113.74 1sh3 h MET 415 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sh3 h MET 415 Cb 0.53 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1sh3 h MET 415 CO 0.00 0.52 -0.89 0.66 1.06 0.00 0.00 176.91 178.26 1sh3 n TYR 416 N -4.69 0.70 -4.09 -0.22 4.01 -1.00 -4.69 117.16 107.18 1sh3 n TYR 416 Ca -0.01 0.20 -0.32 0.00 -0.16 0.00 0.00 57.90 57.61 1sh3 n TYR 416 Cb 0.15 -0.77 -0.16 0.00 -0.31 0.00 0.00 39.34 38.25 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 -3.27 2.66 0.01 -0.72 0.52 -0.94 0.33 118.94 117.53 1sh3 s TRP 417 Ca 0.02 -1.59 0.02 0.00 0.02 0.00 0.00 56.10 54.57 1sh3 s TRP 417 Cb 0.12 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1sh3 s TRP 417 CO 0.77 -0.78 -0.01 -0.08 0.02 0.00 0.00 176.95 176.87 1sh3 s THR 418 N 1.33 4.07 0.34 2.01 -1.32 -0.24 -4.62 115.64 117.21 1sh3 s THR 418 Ca 0.04 -0.66 -0.26 0.00 -1.21 0.00 0.00 61.69 59.61 1sh3 s THR 418 Cb -0.13 -2.82 -0.10 0.00 -1.51 0.00 0.00 72.50 67.94 1sh3 s THR 418 CO -0.12 0.36 0.97 -0.13 -2.21 0.00 0.00 174.62 173.49 1sh3 s ARG 419 N -1.60 4.50 0.00 7.08 0.52 -1.26 -0.70 118.95 127.49 1sh3 s ARG 419 Ca 0.20 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 1sh3 s ARG 419 Cb -0.11 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1sh3 s ARG 419 CO 0.10 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1sh3 n GLY 420 N 0.52 3.50 3.76 -3.53 0.00 0.60 -4.89 105.19 105.14 1sh3 n GLY 420 Ca 0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 1.01 1.74 0.05 1.61 0.02 -1.26 -4.75 135.00 133.41 1sh3 s PRO 421 Ca 0.00 0.81 -0.31 0.00 0.02 0.00 0.00 61.00 61.52 1sh3 s PRO 421 Cb 0.00 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 1sh3 s PRO 421 CO 0.00 -1.91 1.31 -0.80 -0.33 0.00 0.00 177.00 175.28 1sh3 s ASN 422 N -3.60 6.93 0.27 2.53 0.01 -1.26 -4.64 114.94 115.19 1sh3 s ASN 422 Ca 0.62 2.12 0.02 0.00 -0.71 0.00 0.00 52.86 54.91 1sh3 s ASN 422 Cb -0.16 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 1sh3 s ASN 422 CO 0.56 -0.61 0.13 -1.38 -1.51 0.00 0.00 177.10 174.29 1sh3 s HIS 423 N 1.55 1.52 -1.46 2.20 -3.43 -0.86 -4.95 115.29 109.85 1sh3 s HIS 423 Ca 0.62 -1.30 0.23 0.00 -0.80 0.00 0.00 55.06 53.82 1sh3 s HIS 423 Cb -0.32 -0.83 0.20 0.00 -1.43 0.00 0.00 32.58 30.20 1sh3 s HIS 423 CO 0.28 -0.46 1.21 0.39 -2.00 0.00 0.00 174.74 174.16 1sh3 n GLU 424 N -0.49 0.52 -3.77 -0.38 1.02 -1.26 -1.55 120.64 114.73 1sh3 n GLU 424 Ca 0.01 -0.39 -0.29 0.00 -0.02 0.00 0.00 57.16 56.46 1sh3 n GLU 424 Cb 0.66 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 1sh3 n GLU 424 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh3 s ASP 425 N -2.74 3.80 0.48 1.62 -1.08 -1.26 -4.65 116.67 112.82 1sh3 s ASP 425 Ca 0.15 -1.43 0.32 0.00 -0.52 0.00 0.00 52.55 51.08 1sh3 s ASP 425 Cb 0.18 -0.87 1.64 0.00 -1.46 0.00 0.00 42.92 42.41 1sh3 s ASP 425 CO 0.67 -0.37 1.98 -0.65 0.52 0.00 0.00 175.17 177.33 1sh3 h PRO 426 N 8.09 0.00 0.00 4.34 0.11 -1.88 -1.48 132.00 141.18 1sh3 h PRO 426 Ca -0.14 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 1sh3 h PRO 426 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sh3 h PRO 426 CO 0.44 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.73 1sh3 h SER 427 N 0.00 0.00 -2.19 -2.05 4.64 -1.94 -3.08 113.55 108.93 1sh3 h SER 427 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1sh3 h SER 427 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1sh3 h SER 427 CO 0.00 0.16 1.03 -0.62 -0.87 0.00 0.00 176.83 176.53 1sh3 n GLU 428 N -3.23 2.33 -2.78 4.77 1.02 -0.56 -4.66 120.64 117.53 1sh3 n GLU 428 Ca 0.01 0.85 -0.24 0.00 -0.02 0.00 0.00 57.16 57.76 1sh3 n GLU 428 Cb 0.47 -2.69 0.02 0.00 -0.02 0.00 0.00 31.44 29.21 1sh3 n GLU 428 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1sh3 s THR 429 N 3.06 4.00 -0.14 2.62 -4.23 -1.26 -2.76 115.64 116.93 1sh3 s THR 429 Ca 0.87 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1sh3 s THR 429 Cb -0.63 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 69.76 1sh3 s THR 429 CO 0.45 -0.43 0.27 -0.32 -0.54 0.00 0.00 174.62 174.05 1sh3 s MET 430 N -4.70 0.16 0.66 3.99 1.75 -0.33 -4.88 119.30 115.94 1sh3 s MET 430 Ca 0.50 0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 55.52 1sh3 s MET 430 Cb -0.10 -0.04 -0.00 0.00 2.84 0.00 0.00 34.83 37.53 1sh3 s MET 430 CO 0.41 -0.29 1.24 0.96 -0.65 0.00 0.00 175.02 176.69 1sh3 s ILE 431 N 2.43 2.29 -0.48 10.11 -0.00 -1.26 -4.64 121.20 129.64 1sh3 s ILE 431 Ca 0.01 0.17 -0.44 0.00 -0.00 0.00 0.00 60.65 60.39 1sh3 s ILE 431 Cb -0.12 -2.96 -0.18 0.00 -0.00 0.00 0.00 42.46 39.19 1sh3 s ILE 431 CO -0.09 -0.05 2.07 -2.65 -0.00 0.00 0.00 174.94 174.23 1sh3 n PRO 432 N -2.06 0.11 -1.09 0.37 -0.02 -1.26 -4.95 135.00 126.10 1sh3 n PRO 432 Ca 0.14 0.03 -0.37 0.00 -2.02 0.00 0.00 63.50 61.29 1sh3 n PRO 432 Cb 0.49 -1.59 0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1sh3 n PRO 432 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1sh3 n HIS 433 N 7.25 -4.39 0.48 6.00 -0.00 -1.26 -4.87 115.22 118.44 1sh3 n HIS 433 Ca 0.51 0.13 0.09 0.00 0.46 0.00 0.00 57.72 58.91 1sh3 n HIS 433 Cb -0.02 -1.52 0.38 0.00 -0.12 0.00 0.00 29.99 28.71 1sh3 n HIS 433 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1sh3 n SER 434 N 3.10 0.23 -0.25 0.26 3.41 -1.26 -2.55 113.62 116.56 1sh3 n SER 434 Ca 0.02 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 1sh3 n SER 434 Cb 0.53 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1sh3 n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sh3 n GLN 435 N -1.75 1.38 -0.12 4.33 -0.00 -1.26 -4.68 117.38 115.28 1sh3 n GLN 435 Ca 0.03 -0.74 -0.06 0.00 -0.00 0.00 0.00 57.00 56.23 1sh3 n GLN 435 Cb 0.20 -1.08 0.02 0.00 -0.00 0.00 0.00 30.24 29.38 1sh3 n GLN 435 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1sh3 h ARG 436 N 1.24 0.36 -0.81 2.61 9.65 -1.83 -2.37 114.38 123.22 1sh3 h ARG 436 Ca 0.00 -0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.04 1sh3 h ARG 436 Cb 0.31 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 1sh3 h ARG 436 CO 0.00 0.24 0.55 -1.35 2.80 0.00 0.00 179.97 182.20 1sh3 h PRO 437 N 0.37 0.34 -0.38 0.20 0.11 -1.83 -0.75 132.00 130.04 1sh3 h PRO 437 Ca 0.18 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1sh3 h PRO 437 Cb 0.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1sh3 h PRO 437 CO -0.14 0.22 0.06 0.82 -0.21 0.00 0.00 178.00 178.75 1sh3 h ILE 438 N 0.35 1.24 -0.53 4.15 2.04 -1.74 -1.91 117.51 121.11 1sh3 h ILE 438 Ca 0.41 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1sh3 h ILE 438 Cb 1.07 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1sh3 h ILE 438 CO -0.12 0.30 0.29 -0.61 0.00 0.00 0.00 178.15 178.01 1sh3 h GLN 439 N 0.48 0.56 -0.43 2.37 4.15 -1.23 -2.48 115.11 118.52 1sh3 h GLN 439 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1sh3 h GLN 439 Cb 0.38 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1sh3 h GLN 439 CO 0.01 0.37 0.23 -0.07 -1.93 0.00 0.00 178.83 177.44 1sh3 h LEU 440 N 0.58 0.55 -0.31 -2.39 3.38 -1.04 0.19 115.31 116.26 1sh3 h LEU 440 Ca 0.22 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1sh3 h LEU 440 Cb 0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1sh3 h LEU 440 CO -0.13 0.49 -0.06 -0.03 0.09 0.00 0.00 178.44 178.81 1sh3 h MET 441 N 0.56 0.02 0.00 1.13 4.05 -1.30 0.13 114.93 119.52 1sh3 h MET 441 Ca 0.15 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1sh3 h MET 441 Cb 0.07 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1sh3 h MET 441 CO -0.02 0.02 -0.36 0.66 0.23 0.00 0.00 176.91 177.43 1sh3 h SER 442 N 0.02 0.00 -0.33 1.39 4.64 -0.89 0.15 113.55 118.53 1sh3 h SER 442 Ca 0.15 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1sh3 h SER 442 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1sh3 h SER 442 CO -0.30 0.36 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.57 1sh3 h LEU 443 N 0.00 0.91 -0.51 5.97 3.38 0.06 -1.10 115.31 124.02 1sh3 h LEU 443 Ca -0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1sh3 h LEU 443 Cb 0.68 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1sh3 h LEU 443 CO 0.05 1.21 0.27 -0.07 0.09 0.00 0.00 178.44 179.99 1sh3 h LEU 444 N 0.63 0.39 0.09 1.67 3.38 -0.02 0.42 115.31 121.87 1sh3 h LEU 444 Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1sh3 h LEU 444 Cb 0.98 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1sh3 h LEU 444 CO 0.09 0.27 -0.24 1.23 0.09 0.00 0.00 178.44 179.88 1sh3 h GLY 445 N 0.52 -0.42 0.37 0.83 0.00 -0.83 0.17 103.07 103.71 1sh3 h GLY 445 Ca 0.22 0.28 0.13 0.00 0.00 0.00 0.00 47.33 47.97 1sh3 h GLY 445 CO -0.15 -0.21 0.58 0.83 0.00 0.00 0.00 176.54 177.60 1sh3 h GLU 446 N -0.43 0.85 -0.14 4.80 4.39 -0.57 -0.59 114.58 122.90 1sh3 h GLU 446 Ca 0.04 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1sh3 h GLU 446 Cb 0.46 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1sh3 h GLU 446 CO -0.16 0.56 -0.06 0.00 -1.16 0.00 0.00 179.01 178.20 1sh3 h ALA 447 N 1.55 1.64 0.00 3.43 0.00 0.21 -2.76 119.26 123.33 1sh3 h ALA 447 Ca 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1sh3 h ALA 447 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sh3 h ALA 447 CO -0.30 0.27 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 1sh3 h ALA 448 N 1.74 1.25 0.00 0.00 0.00 0.88 -1.95 119.26 121.18 1sh3 h ALA 448 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sh3 h ALA 448 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sh3 h ALA 448 CO 0.01 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1sh3 n LEU 449 N -3.62 0.00 0.00 0.00 4.77 -1.04 -4.52 117.00 112.59 1sh3 n LEU 449 Ca -0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1sh3 n LEU 449 Cb 0.27 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1sh3 n LEU 449 CO 0.31 -0.08 0.00 1.41 -1.33 0.00 0.00 177.39 177.70 1sh3 n HIS 450 N -1.29 -1.70 -0.76 -1.77 8.25 -0.73 -4.96 115.22 112.26 1sh3 n HIS 450 Ca 0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1sh3 n HIS 450 Cb 0.18 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.63 1.53 0.44 -1.41 0.00 -1.26 -4.89 107.32 100.10 1sh3 s GLY 451 Ca 0.00 -0.39 0.31 0.00 0.00 0.00 0.00 44.72 44.64 1sh3 s GLY 451 CO 0.00 0.36 1.93 -0.56 0.00 0.00 0.00 173.10 174.83 1sh3 h PRO 452 N -2.53 0.00 -0.02 2.90 0.13 -1.90 -2.81 132.00 127.77 1sh3 h PRO 452 Ca -0.57 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.37 1sh3 h PRO 452 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1sh3 h PRO 452 CO 0.49 0.00 -0.84 0.00 -0.23 0.00 0.00 178.00 177.42 1sh3 h ALA 453 N 2.06 0.52 0.13 -0.56 0.00 -1.96 -0.32 119.26 119.13 1sh3 h ALA 453 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 54.91 53.95 1sh3 h ALA 453 Cb 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sh3 h ALA 453 CO 0.00 0.84 -1.25 0.35 0.00 0.00 0.00 179.25 179.19 1sh3 h PHE 454 N 0.18 0.51 -0.63 0.00 3.57 -1.91 -3.27 116.94 115.39 1sh3 h PHE 454 Ca -0.05 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1sh3 h PHE 454 Cb 1.45 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1sh3 h PHE 454 CO 0.04 1.29 0.30 -0.92 -2.23 0.00 0.00 178.31 176.79 1sh3 h TYR 455 N 0.08 0.91 -0.91 0.41 3.20 -1.29 -0.59 116.97 118.78 1sh3 h TYR 455 Ca -0.14 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.72 1sh3 h TYR 455 Cb 1.98 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.92 1sh3 h TYR 455 CO 0.07 0.69 0.59 1.03 -1.64 0.00 0.00 178.16 178.89 1sh3 h SER 456 N 0.87 1.00 -0.30 -2.11 0.87 -1.16 0.33 113.55 113.05 1sh3 h SER 456 Ca 0.22 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1sh3 h SER 456 Cb 0.12 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1sh3 h SER 456 CO -0.03 0.70 0.19 0.50 -0.53 0.00 0.00 176.83 177.66 1sh3 h LYS 457 N 1.17 0.39 -0.64 2.24 3.64 -1.33 0.80 116.57 122.84 1sh3 h LYS 457 Ca 0.35 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1sh3 h LYS 457 Cb -0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1sh3 h LYS 457 CO -0.10 0.26 0.27 0.82 -2.27 0.00 0.00 179.45 178.43 1sh3 h ILE 458 N 0.40 1.23 -0.21 2.00 1.08 -0.28 -1.76 117.51 119.97 1sh3 h ILE 458 Ca 0.11 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1sh3 h ILE 458 Cb -0.03 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 34.15 1sh3 h ILE 458 CO -0.03 0.28 -0.52 0.28 -0.69 0.00 0.00 178.15 177.46 1sh3 h SER 459 N 0.89 -1.69 -0.86 1.72 0.02 0.21 -0.23 113.55 113.61 1sh3 h SER 459 Ca 0.21 0.21 0.16 0.00 -0.84 0.00 0.00 61.79 61.53 1sh3 h SER 459 Cb 0.17 0.67 -0.16 0.00 0.14 0.00 0.00 62.40 63.23 1sh3 h SER 459 CO -0.02 -0.44 -0.27 0.11 -1.14 0.00 0.00 176.83 175.07 1sh3 h LYS 460 N -0.50 -0.02 -0.12 3.45 6.56 -0.36 -0.60 116.57 124.98 1sh3 h LYS 460 Ca 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1sh3 h LYS 460 Cb 0.62 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1sh3 h LYS 460 CO -0.47 -0.01 0.03 -0.07 -2.06 0.00 0.00 179.45 176.87 1sh3 h LEU 461 N -0.02 0.19 -0.27 2.94 3.38 -0.50 -1.61 115.31 119.41 1sh3 h LEU 461 Ca 0.38 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1sh3 h LEU 461 Cb 0.62 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1sh3 h LEU 461 CO -0.89 0.37 -0.16 0.58 0.09 0.00 0.00 178.44 178.44 1sh3 h VAL 462 N -0.00 0.53 -0.29 1.22 2.07 -0.26 -1.11 116.25 118.40 1sh3 h VAL 462 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1sh3 h VAL 462 Cb 0.26 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1sh3 h VAL 462 CO 0.00 0.00 0.17 0.40 0.02 0.00 0.00 177.57 178.16 1sh3 h ILE 463 N -0.13 1.03 -0.38 4.57 2.04 -1.03 -1.53 117.51 122.08 1sh3 h ILE 463 Ca 0.15 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1sh3 h ILE 463 Cb 0.35 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1sh3 h ILE 463 CO -0.36 0.06 0.04 0.00 0.00 0.00 0.00 178.15 177.90 1sh3 h ALA 464 N 1.13 1.36 -0.18 1.87 0.00 -0.97 0.60 119.26 123.07 1sh3 h ALA 464 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1sh3 h ALA 464 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sh3 h ALA 464 CO -0.06 0.45 -0.60 1.49 0.00 0.00 0.00 179.25 180.53 1sh3 h GLU 465 N 0.56 0.73 0.01 0.00 4.81 -0.94 -2.78 114.58 116.97 1sh3 h GLU 465 Ca 0.12 -0.54 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 1sh3 h GLU 465 Cb 0.30 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1sh3 h GLU 465 CO 0.01 1.16 -0.94 -0.07 -0.73 0.00 0.00 179.01 178.43 1sh3 h LEU 466 N 0.44 0.39 0.27 1.64 3.38 -0.75 -2.98 115.31 117.70 1sh3 h LEU 466 Ca -0.02 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1sh3 h LEU 466 Cb 1.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1sh3 h LEU 466 CO 0.13 1.14 -0.42 0.50 0.09 0.00 0.00 178.44 179.88 1sh3 h LYS 467 N 0.16 -0.73 0.00 1.13 3.11 0.16 0.10 116.57 120.50 1sh3 h LYS 467 Ca -0.07 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1sh3 h LYS 467 Cb 1.59 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.98 1sh3 h LYS 467 CO 0.15 -0.49 0.00 -0.85 -2.81 0.00 0.00 179.45 175.46 1sh3 n GLU 468 N -5.49 0.67 -0.25 1.90 0.28 -1.05 -1.60 120.64 115.10 1sh3 n GLU 468 Ca -0.09 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 56.99 1sh3 n GLU 468 Cb 0.39 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.94 1sh3 n GLU 468 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sh3 n GLY 469 N 0.95 3.42 3.38 -1.84 0.00 -1.06 -5.02 105.19 105.03 1sh3 n GLY 469 Ca 0.18 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.11 -0.65 3.01 -0.02 0.00 -0.44 -4.69 105.19 102.29 1sh3 n GLY 470 Ca 0.14 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1sh3 n GLY 470 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sh3 s MET 471 N -5.06 1.46 0.17 1.61 -1.94 0.24 -5.03 119.30 110.73 1sh3 s MET 471 Ca 0.17 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.47 1sh3 s MET 471 Cb -0.02 -1.25 -0.08 0.00 2.01 0.00 0.00 34.83 35.49 1sh3 s MET 471 CO 0.74 0.05 1.31 -0.51 -0.01 0.00 0.00 175.02 176.60 1sh3 s ASP 472 N 0.56 6.91 -0.29 3.03 1.11 -1.26 -4.48 116.67 122.24 1sh3 s ASP 472 Ca -0.11 2.34 -0.16 0.00 0.18 0.00 0.00 52.55 54.80 1sh3 s ASP 472 Cb -0.14 -2.60 0.15 0.00 1.07 0.00 0.00 42.92 41.40 1sh3 s ASP 472 CO 0.03 -0.54 0.98 0.12 1.18 0.00 0.00 175.17 176.94 1sh3 s PHE 473 N 0.39 -0.57 -0.26 4.23 5.36 -1.26 -5.13 117.98 120.74 1sh3 s PHE 473 Ca 0.58 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.62 1sh3 s PHE 473 Cb -0.36 0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.66 1sh3 s PHE 473 CO 0.36 -0.28 0.02 -0.47 -1.46 0.00 0.00 175.22 173.39 1sh3 s TYR 474 N 1.39 3.07 -0.35 10.12 5.04 -1.26 -5.04 117.35 130.32 1sh3 s TYR 474 Ca -0.09 -0.95 -0.29 0.00 -2.44 0.00 0.00 57.07 53.31 1sh3 s TYR 474 Cb -0.04 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 40.11 1sh3 s TYR 474 CO -0.15 -0.55 1.17 0.08 -1.34 0.00 0.00 175.55 174.76 1sh3 s VAL 475 N 1.49 4.30 0.62 3.14 1.01 -1.26 -5.02 120.40 124.68 1sh3 s VAL 475 Ca 0.04 1.45 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1sh3 s VAL 475 Cb -0.16 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1sh3 s VAL 475 CO -0.00 -0.61 1.32 -2.84 0.00 0.00 0.00 175.10 172.97 1sh3 s PRO 476 N 4.05 2.70 0.36 2.72 0.02 -1.26 -4.97 135.00 138.63 1sh3 s PRO 476 Ca 0.50 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.39 1sh3 s PRO 476 Cb -0.12 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1sh3 s PRO 476 CO 0.22 -1.50 1.13 1.03 -0.33 0.00 0.00 177.00 177.55 1sh3 s ARG 477 N -3.25 4.27 0.53 5.54 0.52 -1.26 -4.93 118.95 120.38 1sh3 s ARG 477 Ca 0.80 1.78 0.35 0.00 -0.52 0.00 0.00 55.73 58.15 1sh3 s ARG 477 Cb -0.39 -2.83 1.52 0.00 0.52 0.00 0.00 34.95 33.77 1sh3 s ARG 477 CO 0.42 -0.11 1.80 0.37 0.02 0.00 0.00 175.30 177.80 1sh3 h GLN 478 N 3.01 0.03 0.14 3.54 -0.00 -1.96 -2.78 115.11 117.08 1sh3 h GLN 478 Ca -0.48 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 1sh3 h GLN 478 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.70 1sh3 h GLN 478 CO 0.64 0.02 -0.07 0.93 0.00 0.00 0.00 178.83 180.36 1sh3 h GLU 479 N 0.04 -0.18 -0.34 1.69 3.07 -1.98 0.40 114.58 117.28 1sh3 h GLU 479 Ca 0.58 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.40 1sh3 h GLU 479 Cb 2.23 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 30.16 1sh3 h GLU 479 CO -0.04 0.28 -0.02 -1.35 -1.40 0.00 0.00 179.01 176.48 1sh3 h PRO 480 N -0.79 0.53 -0.28 2.33 0.11 -1.80 -1.41 132.00 130.70 1sh3 h PRO 480 Ca -0.02 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 1sh3 h PRO 480 Cb 0.54 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1sh3 h PRO 480 CO 0.03 0.57 -0.22 1.98 -0.21 0.00 0.00 178.00 180.15 1sh3 h MET 481 N 0.50 0.64 -0.15 1.05 -1.53 -1.42 0.40 114.93 114.43 1sh3 h MET 481 Ca 0.11 -0.31 0.01 0.00 -3.44 0.00 0.00 59.70 56.06 1sh3 h MET 481 Cb 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 1sh3 h MET 481 CO 0.01 0.91 0.08 0.35 0.14 0.00 0.00 176.91 178.41 1sh3 h PHE 482 N 0.37 0.16 0.00 1.39 3.57 -0.12 0.25 116.94 122.56 1sh3 h PHE 482 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1sh3 h PHE 482 Cb 0.77 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1sh3 h PHE 482 CO 0.07 0.09 -0.05 0.00 -2.23 0.00 0.00 178.31 176.19 1sh3 h ARG 483 N 0.18 0.00 0.25 1.11 3.08 -0.89 0.04 114.38 118.14 1sh3 h ARG 483 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.77 1sh3 h ARG 483 Cb -0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1sh3 h ARG 483 CO -0.03 0.05 -1.50 2.35 -1.07 0.00 0.00 179.97 179.77 1sh3 h TRP 484 N 0.00 0.94 -0.03 3.04 2.91 -0.63 -1.67 115.95 120.52 1sh3 h TRP 484 Ca -0.00 -0.69 -0.21 0.00 1.13 0.00 0.00 58.89 59.12 1sh3 h TRP 484 Cb 0.12 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1sh3 h TRP 484 CO 0.00 1.58 -0.87 1.98 -1.03 0.00 0.00 178.44 180.10 1sh3 h MET 485 N 0.12 0.40 0.00 2.65 4.05 0.10 -1.39 114.93 120.87 1sh3 h MET 485 Ca -0.27 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 58.76 1sh3 h MET 485 Cb 2.15 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 33.05 1sh3 h MET 485 CO 0.26 1.06 -1.72 -2.13 0.23 0.00 0.00 176.91 174.60 1sh3 n ARG 486 N -3.77 0.50 0.00 0.39 0.63 -0.10 -4.61 116.66 109.70 1sh3 n ARG 486 Ca -0.06 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1sh3 n ARG 486 Cb 0.79 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1sh3 n ARG 486 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1sh3 n PHE 487 N -2.05 0.00 -1.85 -0.14 3.72 -1.17 -5.00 117.46 110.97 1sh3 n PHE 487 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1sh3 n PHE 487 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.04 -4.69 -4.72 4.37 7.64 -0.52 -4.96 113.62 110.70 1sh3 n SER 488 Ca 0.00 0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.76 1sh3 n SER 488 Cb 0.16 -4.12 -0.04 0.00 -1.01 0.00 0.00 64.21 59.20 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 -2.29 7.21 -0.08 6.43 2.15 -0.64 -4.92 116.67 124.54 1sh3 s ASP 489 Ca 0.00 1.46 0.12 0.00 0.43 0.00 0.00 52.55 54.57 1sh3 s ASP 489 Cb 0.00 -2.50 0.19 0.00 -0.30 0.00 0.00 42.92 40.31 1sh3 s ASP 489 CO 0.00 -0.17 1.10 0.18 -0.17 0.00 0.00 175.17 176.11 1sh3 n LEU 490 N 3.70 2.22 0.17 -1.34 4.77 -1.26 -2.99 117.00 122.27 1sh3 n LEU 490 Ca 0.02 -2.70 0.03 0.00 -0.03 0.00 0.00 56.01 53.33 1sh3 n LEU 490 Cb 0.51 -0.28 0.41 0.00 -2.33 0.00 0.00 43.42 41.73 1sh3 n LEU 490 CO 0.50 0.63 0.83 0.77 -1.33 0.00 0.00 177.39 178.79 1sh3 h SER 491 N 0.00 0.08 -0.45 -1.43 4.64 -1.95 -2.56 113.55 111.88 1sh3 h SER 491 Ca 0.00 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1sh3 h SER 491 Cb 0.83 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.83 1sh3 h SER 491 CO 0.00 0.32 0.07 0.35 -0.87 0.00 0.00 176.83 176.70 1sh3 n THR 492 N -4.23 2.57 -2.81 2.95 -2.24 -1.26 -5.00 114.28 104.27 1sh3 n THR 492 Ca -0.02 -1.94 -0.40 0.00 -2.27 0.00 0.00 64.05 59.43 1sh3 n THR 492 Cb 0.31 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.96 3.95 -0.07 4.78 -0.11 -0.97 -4.67 118.94 118.89 1sh3 s TRP 493 Ca 0.48 1.84 -0.04 0.00 1.22 0.00 0.00 56.10 59.60 1sh3 s TRP 493 Cb 0.39 -2.93 -0.04 0.00 -1.50 0.00 0.00 33.47 29.40 1sh3 s TRP 493 CO 0.09 0.45 0.11 -1.21 -4.62 0.00 0.00 176.95 171.77 1sh3 s GLU 494 N -1.24 3.27 4.13 5.86 2.02 -1.26 -5.00 118.70 126.48 1sh3 s GLU 494 Ca 0.40 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.11 1sh3 s GLU 494 Cb -0.25 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1sh3 s GLU 494 CO 0.30 0.72 0.00 0.41 0.02 0.00 0.00 175.26 176.71 1sh3 n GLY 495 N 1.71 0.86 3.62 -1.39 0.00 -1.26 -4.72 105.19 104.01 1sh3 n GLY 495 Ca -0.17 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1sh3 n GLY 495 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sh3 s ASP 496 N -4.00 6.18 0.38 1.61 -1.08 -1.26 -4.88 116.67 113.62 1sh3 s ASP 496 Ca 0.00 1.62 0.11 0.00 -0.52 0.00 0.00 52.55 53.77 1sh3 s ASP 496 Cb 0.00 -2.53 0.74 0.00 -1.46 0.00 0.00 42.92 39.67 1sh3 s ASP 496 CO 0.00 -1.42 1.85 0.03 0.52 0.00 0.00 175.17 176.15 1sh3 h ARG 497 N 11.63 0.08 0.00 4.34 3.08 -1.94 -2.25 114.38 129.32 1sh3 h ARG 497 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1sh3 h ARG 497 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1sh3 h ARG 497 CO 1.00 0.38 0.00 0.09 -1.07 0.00 0.00 179.97 180.37 1sh3 n ASN 498 N -4.16 0.55 0.13 7.04 3.02 -1.26 -2.30 115.26 118.28 1sh3 n ASN 498 Ca -0.02 0.74 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 1sh3 n ASN 498 Cb 0.36 -0.82 0.25 0.00 -0.61 0.00 0.00 39.78 38.97 1sh3 n ASN 498 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sh3 h LEU 499 N 0.00 0.00 -9.79 3.41 5.85 -1.80 -3.45 115.31 109.53 1sh3 h LEU 499 Ca 0.00 -0.04 -0.54 0.00 0.84 0.00 0.00 57.88 58.14 1sh3 h LEU 499 Cb 0.06 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.18 1sh3 h LEU 499 CO 0.00 0.02 0.83 0.00 -0.34 0.00 0.00 178.44 178.95 1sh3 n ALA 500 N -1.92 2.35 -2.63 1.25 0.00 -0.97 -4.88 120.51 113.70 1sh3 n ALA 500 Ca 0.04 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1sh3 n ALA 500 Cb 0.47 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 1sh3 n ALA 500 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sh3 s PRO 501 N -0.74 3.99 0.59 0.00 0.04 -1.26 -5.03 135.00 132.59 1sh3 s PRO 501 Ca 0.63 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 1sh3 s PRO 501 Cb -0.51 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1sh3 s PRO 501 CO 0.51 -1.00 1.04 -1.12 0.04 0.00 0.00 177.00 176.47 1sh3 s SER 502 N 1.82 5.93 -0.19 6.66 0.01 -1.26 -4.97 113.70 121.70 1sh3 s SER 502 Ca 0.46 1.70 0.01 0.00 1.31 0.00 0.00 55.95 59.43 1sh3 s SER 502 Cb -0.11 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1sh3 s SER 502 CO 0.19 -1.07 -0.13 -0.36 0.41 0.00 0.00 173.24 172.28 1sh3 s PHE 503 N -2.63 2.51 0.59 2.43 0.08 -1.26 -5.00 117.98 114.69 1sh3 s PHE 503 Ca 0.61 -1.59 -0.18 0.00 0.12 0.00 0.00 56.93 55.90 1sh3 s PHE 503 Cb -0.14 -1.71 -0.15 0.00 -0.57 0.00 0.00 43.02 40.46 1sh3 s PHE 503 CO 0.40 -0.75 -0.19 1.33 -0.10 0.00 0.00 175.22 175.90 1sh3 n VAL 504 N 4.67 0.12 0.00 -0.44 0.24 -1.26 -4.96 118.33 116.69 1sh3 n VAL 504 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1sh3 n VAL 504 Cb 0.48 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1sh3 n VAL 504 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sh3 n ASN 505 N 2.53 0.00 -4.76 -1.34 5.15 -1.26 -4.85 115.26 110.72 1sh3 n ASN 505 Ca 0.07 0.12 -0.39 0.00 -0.60 0.00 0.00 54.58 53.77 1sh3 n ASN 505 Cb 0.49 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.68 1sh3 n ASN 505 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1sh3 s GLU 506 N -0.23 4.39 0.00 1.20 -1.05 -1.25 -4.41 118.70 117.35 1sh3 s GLU 506 Ca 0.00 0.89 0.20 0.00 -0.15 0.00 0.00 54.97 55.91 1sh3 s GLU 506 Cb 0.00 -3.33 0.16 0.00 -0.44 0.00 0.00 34.13 30.52 1sh3 s GLU 506 CO 0.00 0.38 1.13 -0.25 0.95 0.00 0.00 175.26 177.47