#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua3 n TYR 2 N 0.00 0.83 -2.24 3.69 4.01 -1.26 -1.08 117.16 121.11 1ua3 n TYR 2 Ca 0.00 0.29 -0.42 0.00 -0.16 0.00 0.00 57.90 57.61 1ua3 n TYR 2 Cb 0.00 -1.15 -0.03 0.00 -0.31 0.00 0.00 39.34 37.85 1ua3 n TYR 2 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ua3 s ALA 3 N -2.58 3.54 0.46 -0.72 0.00 -1.26 -4.88 121.76 116.33 1ua3 s ALA 3 Ca -0.07 1.00 0.30 0.00 0.00 0.00 0.00 51.96 53.20 1ua3 s ALA 3 Cb 0.08 -3.53 1.64 0.00 0.00 0.00 0.00 23.12 21.31 1ua3 s ALA 3 CO 0.82 -0.64 2.14 -1.00 0.00 0.00 0.00 175.76 177.09 1ua3 h PRO 4 N 7.03 0.00 -1.93 0.00 0.13 -1.96 -3.36 132.00 131.91 1ua3 h PRO 4 Ca -0.41 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.29 1ua3 h PRO 4 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1ua3 h PRO 4 CO 0.86 0.07 -0.46 1.04 -0.23 0.00 0.00 178.00 179.28 1ua3 n GLN 5 N -3.58 -1.56 -1.20 0.86 1.13 -1.26 -4.64 117.38 107.12 1ua3 n GLN 5 Ca -0.02 1.14 -0.32 0.00 -1.94 0.00 0.00 57.00 55.86 1ua3 n GLN 5 Cb 0.19 -5.66 0.11 0.00 0.11 0.00 0.00 30.24 24.99 1ua3 n GLN 5 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ua3 s THR 6 N -2.91 2.67 0.36 5.09 -4.23 -1.26 -4.97 115.64 110.40 1ua3 s THR 6 Ca 0.00 0.26 -0.26 0.00 -1.18 0.00 0.00 61.69 60.50 1ua3 s THR 6 Cb 0.00 -2.62 -0.12 0.00 1.34 0.00 0.00 72.50 71.10 1ua3 s THR 6 CO 0.00 -0.24 1.09 1.67 -0.54 0.00 0.00 174.62 176.60 1ua3 n GLN 7 N -3.38 1.58 -1.65 3.99 7.27 -1.26 -4.83 117.38 119.10 1ua3 n GLN 7 Ca 0.11 0.56 -0.47 0.00 0.07 0.00 0.00 57.00 57.27 1ua3 n GLN 7 Cb 0.52 -2.07 -0.04 0.00 2.41 0.00 0.00 30.24 31.05 1ua3 n GLN 7 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ua3 n SER 8 N 0.77 2.68 0.00 1.69 2.88 -1.26 -1.15 113.62 119.23 1ua3 n SER 8 Ca 0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1ua3 n SER 8 Cb 0.36 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1ua3 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ua3 n GLY 9 N 3.00 1.60 3.66 0.46 0.00 -1.26 -5.02 105.19 107.64 1ua3 n GLY 9 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1ua3 n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ua3 s ARG 10 N -0.32 4.15 0.00 1.61 0.52 -0.30 -4.57 118.95 120.04 1ua3 s ARG 10 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 1ua3 s ARG 10 Cb 0.00 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.92 1ua3 s ARG 10 CO 0.00 -0.05 0.70 0.25 0.02 0.00 0.00 175.30 176.22 1ua3 n THR 11 N 4.40 0.42 -4.17 0.02 -2.24 -1.26 -4.71 114.28 106.74 1ua3 n THR 11 Ca -0.09 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1ua3 n THR 11 Cb 0.51 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1ua3 n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ua3 s SER 12 N -0.42 1.31 0.31 3.42 0.01 -1.26 -3.99 113.70 113.08 1ua3 s SER 12 Ca 0.00 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.49 1ua3 s SER 12 Cb 0.00 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 1ua3 s SER 12 CO 0.00 -0.33 -0.09 0.27 0.41 0.00 0.00 173.24 173.49 1ua3 s ILE 13 N -2.84 2.59 -0.04 1.44 -4.36 -0.90 0.08 121.20 117.18 1ua3 s ILE 13 Ca 0.07 -2.18 0.05 0.00 -0.26 0.00 0.00 60.65 58.34 1ua3 s ILE 13 Cb -0.00 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1ua3 s ILE 13 CO -0.02 -0.29 -0.19 0.54 0.24 0.00 0.00 174.94 175.22 1ua3 s VAL 14 N -2.51 1.52 -0.63 8.37 0.11 -0.23 -0.37 120.40 126.66 1ua3 s VAL 14 Ca 0.32 -0.79 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 1ua3 s VAL 14 Cb -0.02 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1ua3 s VAL 14 CO 0.17 0.43 1.09 -2.28 -3.33 0.00 0.00 175.10 171.18 1ua3 s HIS 15 N -0.14 2.60 -1.24 1.54 2.46 0.05 -0.64 115.29 119.92 1ua3 s HIS 15 Ca -0.00 -0.04 -0.14 0.00 0.47 0.00 0.00 55.06 55.35 1ua3 s HIS 15 Cb -0.10 -4.36 0.15 0.00 -0.13 0.00 0.00 32.58 28.14 1ua3 s HIS 15 CO 0.01 -1.65 1.58 1.28 -2.47 0.00 0.00 174.74 173.50 1ua3 n LEU 16 N 8.21 5.48 -4.67 8.88 4.77 -0.91 -1.78 117.00 136.98 1ua3 n LEU 16 Ca 0.02 -4.41 -0.42 0.00 -0.03 0.00 0.00 56.01 51.17 1ua3 n LEU 16 Cb 0.48 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1ua3 n LEU 16 CO 0.67 0.77 1.27 0.12 -1.33 0.00 0.00 177.39 178.90 1ua3 s PHE 17 N 1.78 2.33 -0.31 -1.77 5.99 -1.17 -2.14 117.98 122.68 1ua3 s PHE 17 Ca 0.44 0.45 0.00 0.00 0.00 0.00 0.00 56.93 57.82 1ua3 s PHE 17 Cb 0.01 -3.81 0.00 0.00 0.00 0.00 0.00 43.02 39.22 1ua3 s PHE 17 CO 0.01 -3.27 0.00 0.39 -0.00 0.00 0.00 175.22 172.35 1ua3 n GLU 18 N 6.50 -1.56 -2.10 10.12 -0.58 -1.26 -4.80 120.64 126.95 1ua3 n GLU 18 Ca 0.16 0.53 -0.38 0.00 -0.42 0.00 0.00 57.16 57.04 1ua3 n GLU 18 Cb 0.43 -4.76 -0.00 0.00 -0.57 0.00 0.00 31.44 26.54 1ua3 n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1ua3 s TRP 19 N -1.43 2.79 0.51 -0.32 0.52 -0.91 -4.91 118.94 115.19 1ua3 s TRP 19 Ca 0.00 1.46 -0.20 0.00 0.02 0.00 0.00 56.10 57.38 1ua3 s TRP 19 Cb 0.00 -3.57 -0.07 0.00 -1.15 0.00 0.00 33.47 28.68 1ua3 s TRP 19 CO 0.00 -1.94 1.07 1.03 0.02 0.00 0.00 176.95 177.13 1ua3 s ARG 20 N -2.48 3.63 0.26 4.98 0.52 -1.26 -4.78 118.95 119.82 1ua3 s ARG 20 Ca 0.61 1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 57.22 1ua3 s ARG 20 Cb -0.35 -2.06 0.36 0.00 0.52 0.00 0.00 34.95 33.42 1ua3 s ARG 20 CO 0.43 -0.59 1.89 -1.49 0.02 0.00 0.00 175.30 175.56 1ua3 h TRP 21 N 1.39 1.17 -0.07 -0.53 -0.00 -1.45 -1.68 115.95 114.78 1ua3 h TRP 21 Ca -0.50 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.32 1ua3 h TRP 21 Cb 1.23 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.16 29.99 1ua3 h TRP 21 CO 0.55 0.63 -0.43 -0.24 -0.00 0.00 0.00 178.44 178.95 1ua3 h VAL 22 N 1.18 1.32 -0.27 1.49 3.04 -1.85 -0.73 116.25 120.42 1ua3 h VAL 22 Ca 0.41 -1.55 -0.19 0.00 -1.01 0.00 0.00 66.70 64.37 1ua3 h VAL 22 Cb 0.10 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1ua3 h VAL 22 CO -0.15 0.45 -0.57 0.44 -1.01 0.00 0.00 177.57 176.73 1ua3 h ASP 23 N 0.14 0.94 -0.51 3.17 3.45 -1.73 -2.47 116.42 119.40 1ua3 h ASP 23 Ca 0.01 -0.51 -0.04 0.00 0.43 0.00 0.00 57.03 56.92 1ua3 h ASP 23 Cb 0.82 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1ua3 h ASP 23 CO 0.06 1.31 0.17 0.40 -1.57 0.00 0.00 179.24 179.61 1ua3 h ILE 24 N 0.64 1.23 -0.27 0.35 2.04 -1.06 0.40 117.51 120.84 1ua3 h ILE 24 Ca 0.01 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1ua3 h ILE 24 Cb 1.17 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1ua3 h ILE 24 CO 0.12 0.28 -0.08 0.00 0.00 0.00 0.00 178.15 178.48 1ua3 h ALA 25 N 1.02 0.16 -0.56 1.87 0.00 -1.10 0.80 119.26 121.46 1ua3 h ALA 25 Ca 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ua3 h ALA 25 Cb 0.27 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ua3 h ALA 25 CO -0.01 -0.48 0.27 -0.07 0.00 0.00 0.00 179.25 178.96 1ua3 h LEU 26 N -0.02 0.74 -0.97 0.00 3.38 -1.29 -2.80 115.31 114.35 1ua3 h LEU 26 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ua3 h LEU 26 Cb 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ua3 h LEU 26 CO -0.28 0.67 0.47 -0.08 0.09 0.00 0.00 178.44 179.30 1ua3 h GLU 27 N 0.76 1.19 -0.37 1.13 4.57 -0.31 0.21 114.58 121.76 1ua3 h GLU 27 Ca 0.19 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1ua3 h GLU 27 Cb 0.13 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 28.43 1ua3 h GLU 27 CO -0.02 0.87 0.02 0.00 -1.18 0.00 0.00 179.01 178.70 1ua3 h GLU 29 N 0.13 0.62 0.00 0.00 5.08 -1.05 0.15 114.58 119.51 1ua3 h GLU 29 Ca 0.18 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ua3 h GLU 29 Cb 0.24 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ua3 h GLU 29 CO -0.28 1.10 -0.68 0.07 -1.00 0.00 0.00 179.01 178.22 1ua3 h ARG 30 N 0.27 0.00 0.00 2.33 0.11 -0.99 -3.43 114.38 112.67 1ua3 h ARG 30 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1ua3 h ARG 30 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1ua3 h ARG 30 CO 0.12 0.00 0.00 0.98 0.10 0.00 0.00 179.97 181.17 1ua3 n TYR 31 N -2.26 -2.90 -0.15 4.08 4.19 -0.58 -4.85 117.16 114.68 1ua3 n TYR 31 Ca 0.03 0.66 -0.10 0.00 3.31 0.00 0.00 57.90 61.79 1ua3 n TYR 31 Cb 0.47 1.23 -0.01 0.00 0.49 0.00 0.00 39.34 41.52 1ua3 n TYR 31 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1ua3 h LEU 32 N 0.00 0.79 0.48 2.98 3.38 -1.01 0.34 115.31 122.28 1ua3 h LEU 32 Ca 0.00 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1ua3 h LEU 32 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ua3 h LEU 32 CO 0.00 0.92 -0.37 1.23 0.09 0.00 0.00 178.44 180.32 1ua3 h GLY 33 N 0.64 -1.09 1.10 0.83 0.00 -1.18 -1.44 103.07 101.93 1ua3 h GLY 33 Ca 0.12 0.47 0.09 0.00 0.00 0.00 0.00 47.33 48.02 1ua3 h GLY 33 CO 0.03 -0.35 0.38 -2.55 0.00 0.00 0.00 176.54 174.04 1ua3 h PRO 34 N -0.82 0.35 -0.62 4.80 0.11 -1.75 -2.43 132.00 131.64 1ua3 h PRO 34 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ua3 h PRO 34 Cb 0.68 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1ua3 h PRO 34 CO 0.02 0.23 0.00 1.63 -0.21 0.00 0.00 178.00 179.67 1ua3 n LYS 35 N -4.47 2.72 -1.01 1.05 4.76 0.10 -4.94 118.16 116.37 1ua3 n LYS 35 Ca 0.09 -2.28 -0.00 0.00 -2.87 0.00 0.00 58.31 53.25 1ua3 n LYS 35 Cb 0.36 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1ua3 n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ua3 n GLY 36 N 1.33 0.41 3.76 0.72 0.00 -0.87 -4.68 105.19 105.86 1ua3 n GLY 36 Ca 0.21 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1ua3 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ua3 s PHE 37 N -2.01 3.42 0.17 1.61 0.40 -0.60 -4.53 117.98 116.45 1ua3 s PHE 37 Ca 0.00 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 57.99 1ua3 s PHE 37 Cb 0.00 -3.38 0.02 0.00 0.51 0.00 0.00 43.02 40.17 1ua3 s PHE 37 CO 0.00 -0.91 1.40 0.78 0.70 0.00 0.00 175.22 177.19 1ua3 h GLY 38 N 3.61 0.18 0.00 4.36 0.00 -0.65 -3.44 103.07 107.15 1ua3 h GLY 38 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1ua3 h GLY 38 CO 0.66 0.28 0.00 0.61 0.00 0.00 0.00 176.54 178.10 1ua3 n GLY 39 N 0.82 -1.66 2.94 4.60 0.00 -1.14 -1.47 105.19 109.28 1ua3 n GLY 39 Ca -0.03 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1ua3 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua3 s VAL 40 N -2.06 0.93 -0.19 1.61 1.01 0.69 -1.07 120.40 121.32 1ua3 s VAL 40 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1ua3 s VAL 40 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1ua3 s VAL 40 CO 0.00 0.33 1.02 -1.58 0.00 0.00 0.00 175.10 174.87 1ua3 s GLN 41 N 1.17 4.31 0.15 2.72 0.74 0.19 -0.35 119.66 128.59 1ua3 s GLN 41 Ca -0.06 1.35 0.01 0.00 0.05 0.00 0.00 55.36 56.72 1ua3 s GLN 41 Cb -0.14 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 1ua3 s GLN 41 CO -0.02 -0.52 0.30 0.14 -0.55 0.00 0.00 175.29 174.64 1ua3 s VAL 42 N 2.78 5.31 0.88 1.34 -7.23 -0.53 -2.15 120.40 120.79 1ua3 s VAL 42 Ca 0.45 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.94 1ua3 s VAL 42 Cb -0.16 -3.73 0.12 0.00 0.56 0.00 0.00 36.38 33.18 1ua3 s VAL 42 CO 0.10 -0.08 1.14 -0.44 -0.31 0.00 0.00 175.10 175.51 1ua3 s SER 43 N -3.12 3.27 -0.23 4.85 0.01 -1.26 -2.90 113.70 114.31 1ua3 s SER 43 Ca 0.35 2.14 -0.39 0.00 1.31 0.00 0.00 55.95 59.36 1ua3 s SER 43 Cb -0.11 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.41 1ua3 s SER 43 CO 0.28 -2.87 1.75 -2.65 0.41 0.00 0.00 173.24 170.17 1ua3 n PRO 44 N -4.02 1.34 -0.03 12.44 -0.02 -1.26 -4.59 135.00 138.86 1ua3 n PRO 44 Ca 0.11 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1ua3 n PRO 44 Cb 0.52 -2.20 0.45 0.00 -0.02 0.00 0.00 33.50 32.24 1ua3 n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ua3 n PRO 45 N 5.48 1.74 -3.70 0.52 -0.04 -1.26 -4.89 135.00 132.84 1ua3 n PRO 45 Ca 0.25 -1.09 -0.29 0.00 -0.04 0.00 0.00 63.50 62.34 1ua3 n PRO 45 Cb 0.16 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1ua3 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ua3 s ASN 46 N -1.84 6.41 0.28 3.54 4.22 -1.26 -2.48 114.94 123.82 1ua3 s ASN 46 Ca 0.36 0.45 -0.30 0.00 -2.14 0.00 0.00 52.86 51.22 1ua3 s ASN 46 Cb 0.20 -2.03 -0.12 0.00 1.28 0.00 0.00 41.25 40.57 1ua3 s ASN 46 CO 0.31 0.00 1.50 1.21 -2.04 0.00 0.00 177.10 178.08 1ua3 n GLU 47 N -0.35 2.40 -4.51 3.55 2.13 0.21 -4.78 120.64 119.29 1ua3 n GLU 47 Ca -0.04 0.85 -0.24 0.00 0.66 0.00 0.00 57.16 58.39 1ua3 n GLU 47 Cb 0.53 -2.57 -0.11 0.00 0.27 0.00 0.00 31.44 29.56 1ua3 n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ua3 s ASN 48 N 0.33 2.98 0.36 4.31 4.22 -1.26 -1.73 114.94 124.14 1ua3 s ASN 48 Ca 0.64 -1.36 -0.26 0.00 -2.14 0.00 0.00 52.86 49.75 1ua3 s ASN 48 Cb -0.56 -0.21 -0.09 0.00 1.28 0.00 0.00 41.25 41.67 1ua3 s ASN 48 CO 0.51 -0.52 1.09 -0.51 -2.04 0.00 0.00 177.10 175.63 1ua3 s ILE 49 N -3.05 3.52 -0.06 0.54 2.07 -0.55 -1.44 121.20 122.23 1ua3 s ILE 49 Ca 0.35 1.31 -0.29 0.00 -1.41 0.00 0.00 60.65 60.61 1ua3 s ILE 49 Cb 0.09 -3.75 -0.02 0.00 0.13 0.00 0.00 42.46 38.91 1ua3 s ILE 49 CO 0.16 0.15 0.97 -0.69 -1.91 0.00 0.00 174.94 173.62 1ua3 s VAL 50 N -1.43 4.84 -0.23 4.00 1.01 -0.44 -4.76 120.40 123.39 1ua3 s VAL 50 Ca 0.53 2.00 -0.06 0.00 0.00 0.00 0.00 61.98 64.45 1ua3 s VAL 50 Cb -0.27 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1ua3 s VAL 50 CO 0.35 0.09 0.02 -0.69 0.00 0.00 0.00 175.10 174.87 1ua3 s VAL 51 N 1.51 4.00 -0.38 2.92 1.01 -1.26 -4.89 120.40 123.31 1ua3 s VAL 51 Ca 0.49 -0.28 0.18 0.00 0.00 0.00 0.00 61.98 62.37 1ua3 s VAL 51 Cb -0.19 -2.84 -0.24 0.00 0.00 0.00 0.00 36.38 33.10 1ua3 s VAL 51 CO 0.22 0.39 0.55 0.35 0.00 0.00 0.00 175.10 176.61 1ua3 n THR 52 N 4.66 0.00 -3.79 3.92 -2.24 -1.26 -0.32 114.28 115.26 1ua3 n THR 52 Ca -0.17 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 1ua3 n THR 52 Cb 0.51 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 1ua3 n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ua3 s ASN 53 N -3.44 4.13 1.13 3.42 2.47 -1.26 -2.83 114.94 118.56 1ua3 s ASN 53 Ca -0.01 -1.70 -0.19 0.00 0.42 0.00 0.00 52.86 51.39 1ua3 s ASN 53 Cb 0.12 -1.01 0.27 0.00 -1.45 0.00 0.00 41.25 39.18 1ua3 s ASN 53 CO 0.74 -0.40 1.20 -2.16 -3.72 0.00 0.00 177.10 172.76 1ua3 s PRO 54 N 1.49 -0.67 -0.66 0.43 0.04 -1.26 -5.03 135.00 129.33 1ua3 s PRO 54 Ca 0.09 -0.28 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 1ua3 s PRO 54 Cb -0.18 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1ua3 s PRO 54 CO -0.21 -3.31 1.43 -1.12 0.04 0.00 0.00 177.00 173.83 1ua3 s SER 55 N -4.35 5.98 -1.07 6.66 0.01 -1.13 -4.17 113.70 115.64 1ua3 s SER 55 Ca 0.73 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 1ua3 s SER 55 Cb -0.06 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1ua3 s SER 55 CO 0.55 -1.90 0.85 0.54 0.41 0.00 0.00 173.24 173.69 1ua3 n ARG 56 N 9.11 -1.72 -1.12 12.44 5.12 0.57 -4.71 116.66 136.35 1ua3 n ARG 56 Ca 0.09 0.71 -0.31 0.00 -1.93 0.00 0.00 57.85 56.41 1ua3 n ARG 56 Cb 0.50 -5.00 0.11 0.00 -1.16 0.00 0.00 32.46 26.91 1ua3 n ARG 56 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1ua3 s PRO 57 N -5.05 1.86 0.37 5.56 0.04 -1.26 -3.86 135.00 132.66 1ua3 s PRO 57 Ca 0.44 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1ua3 s PRO 57 Cb -0.11 -1.84 0.73 0.00 0.04 0.00 0.00 34.50 33.32 1ua3 s PRO 57 CO 0.80 -1.97 1.99 0.11 0.04 0.00 0.00 177.00 177.97 1ua3 h TRP 58 N -1.24 0.73 0.00 0.56 5.08 -1.69 -2.94 115.95 116.46 1ua3 h TRP 58 Ca -0.44 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1ua3 h TRP 58 Cb 1.25 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 1ua3 h TRP 58 CO 0.54 0.43 0.00 -2.67 -1.28 0.00 0.00 178.44 175.46 1ua3 n TRP 59 N -4.46 0.00 0.29 0.12 4.27 -1.26 -2.63 117.44 113.77 1ua3 n TRP 59 Ca 0.08 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.84 1ua3 n TRP 59 Cb 0.14 -0.20 0.89 0.00 -1.36 0.00 0.00 31.31 30.78 1ua3 n TRP 59 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1ua3 h GLU 60 N 0.00 0.00 0.00 -2.67 4.11 -1.85 -1.96 114.58 112.21 1ua3 h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ua3 h GLU 60 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ua3 h GLU 60 CO 0.00 0.02 0.00 0.54 0.07 0.00 0.00 179.01 179.64 1ua3 n ARG 61 N -3.81 0.38 -0.87 1.06 1.74 -1.08 -1.97 116.66 112.11 1ua3 n ARG 61 Ca -0.03 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1ua3 n ARG 61 Cb 0.10 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.37 1ua3 n ARG 61 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ua3 n TYR 62 N -1.25 2.00 -3.83 -1.55 4.02 -0.74 -4.66 117.16 111.16 1ua3 n TYR 62 Ca 0.12 -1.00 -0.29 0.00 -0.01 0.00 0.00 57.90 56.71 1ua3 n TYR 62 Cb 0.17 -0.56 -0.13 0.00 -0.02 0.00 0.00 39.34 38.81 1ua3 n TYR 62 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1ua3 s GLN 63 N -2.91 1.95 0.52 -0.72 -0.21 -0.83 -4.89 119.66 112.57 1ua3 s GLN 63 Ca 0.52 -2.76 -0.23 0.00 0.02 0.00 0.00 55.36 52.92 1ua3 s GLN 63 Cb 0.41 -3.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.37 1ua3 s GLN 63 CO 0.13 -1.22 1.37 -2.14 -2.12 0.00 0.00 175.29 171.31 1ua3 s PRO 64 N -0.62 3.27 0.00 2.91 0.02 -1.26 -1.49 135.00 137.84 1ua3 s PRO 64 Ca 0.22 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1ua3 s PRO 64 Cb -0.14 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1ua3 s PRO 64 CO -0.09 -1.10 0.00 1.33 -0.33 0.00 0.00 177.00 176.82 1ua3 n VAL 65 N -0.82 0.00 -3.41 3.83 0.24 -0.71 -1.78 118.33 115.68 1ua3 n VAL 65 Ca 0.09 -0.22 -0.03 0.00 -2.04 0.00 0.00 64.34 62.14 1ua3 n VAL 65 Cb 0.44 0.75 0.01 0.00 -1.47 0.00 0.00 33.84 33.58 1ua3 n VAL 65 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ua3 n SER 66 N -0.86 -0.97 -0.76 -1.34 3.41 -1.21 -4.72 113.62 107.17 1ua3 n SER 66 Ca 0.00 -1.64 0.07 0.00 -0.26 0.00 0.00 58.87 57.04 1ua3 n SER 66 Cb 0.00 1.60 0.20 0.00 -0.26 0.00 0.00 64.21 65.76 1ua3 n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ua3 n TYR 67 N -0.25 0.69 -1.73 7.33 4.01 -1.26 -3.57 117.16 122.38 1ua3 n TYR 67 Ca -0.03 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 56.62 1ua3 n TYR 67 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1ua3 n TYR 67 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ua3 n LYS 68 N 0.07 2.45 -2.85 -0.72 5.02 -1.26 -4.75 118.16 116.12 1ua3 n LYS 68 Ca 0.16 0.87 -0.44 0.00 -2.02 0.00 0.00 58.31 56.88 1ua3 n LYS 68 Cb 0.64 -2.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.07 1ua3 n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ua3 s LEU 69 N -0.94 4.71 -0.36 -0.35 1.43 -1.26 -0.62 118.68 121.29 1ua3 s LEU 69 Ca 0.60 -2.59 0.05 0.00 -1.03 0.00 0.00 54.13 51.16 1ua3 s LEU 69 Cb -0.53 -2.45 0.19 0.00 0.03 0.00 0.00 46.19 43.43 1ua3 s LEU 69 CO 0.56 -0.94 0.67 0.00 0.23 0.00 0.00 176.35 176.86 1ua3 s THR 71 N 2.23 0.00 -0.05 0.00 -4.23 -0.71 -3.88 115.64 108.99 1ua3 s THR 71 Ca 0.14 -1.77 0.29 0.00 -1.18 0.00 0.00 61.69 59.17 1ua3 s THR 71 Cb -0.05 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.52 1ua3 s THR 71 CO -0.14 0.00 1.87 0.03 -0.54 0.00 0.00 174.62 175.84 1ua3 h ARG 72 N 2.16 0.00 0.00 3.99 3.08 -1.95 -1.25 114.38 120.41 1ua3 h ARG 72 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 1ua3 h ARG 72 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1ua3 h ARG 72 CO 0.39 0.00 -0.27 0.77 -1.07 0.00 0.00 179.97 179.78 1ua3 h SER 73 N 0.00 0.00 -3.20 7.04 0.02 -1.91 -3.43 113.55 112.07 1ua3 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ua3 h SER 73 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ua3 h SER 73 CO 0.00 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1ua3 n GLY 74 N 0.91 0.25 2.23 -3.77 0.00 -0.47 -1.06 105.19 103.28 1ua3 n GLY 74 Ca 0.02 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1ua3 n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ua3 n ASN 75 N 3.00 1.22 -0.20 1.61 0.23 -1.26 -1.74 115.26 118.11 1ua3 n ASN 75 Ca 0.00 -1.88 -0.08 0.00 -0.53 0.00 0.00 54.58 52.08 1ua3 n ASN 75 Cb 0.00 -0.24 0.02 0.00 -2.08 0.00 0.00 39.78 37.48 1ua3 n ASN 75 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ua3 h GLU 76 N 0.00 0.93 -0.42 -3.83 4.81 -1.52 -0.04 114.58 114.50 1ua3 h GLU 76 Ca -0.16 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1ua3 h GLU 76 Cb 0.71 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1ua3 h GLU 76 CO 0.22 0.86 0.11 -0.91 -0.73 0.00 0.00 179.01 178.56 1ua3 h ASN 77 N 0.83 0.06 -0.54 1.04 -0.26 -1.95 0.35 115.58 115.12 1ua3 h ASN 77 Ca 0.18 0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.91 1ua3 h ASN 77 Cb 0.36 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1ua3 h ASN 77 CO 0.00 0.07 0.05 -0.33 -1.06 0.00 0.00 177.43 176.16 1ua3 h GLU 78 N 0.25 0.91 -0.12 0.81 5.08 -1.85 -0.87 114.58 118.80 1ua3 h GLU 78 Ca 0.20 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ua3 h GLU 78 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ua3 h GLU 78 CO -0.25 0.91 0.06 0.35 -1.00 0.00 0.00 179.01 179.09 1ua3 h PHE 79 N 0.80 0.12 -0.46 4.33 3.57 -0.57 -1.34 116.94 123.39 1ua3 h PHE 79 Ca 0.16 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1ua3 h PHE 79 Cb 0.47 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1ua3 h PHE 79 CO 0.03 0.07 0.25 0.00 -2.23 0.00 0.00 178.31 176.44 1ua3 h ARG 80 N 0.13 0.49 -0.83 1.11 3.08 -0.80 -1.60 114.38 115.96 1ua3 h ARG 80 Ca 0.05 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1ua3 h ARG 80 Cb 0.00 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.87 1ua3 h ARG 80 CO -0.03 0.32 0.49 0.22 -1.07 0.00 0.00 179.97 179.90 1ua3 h ASP 81 N 0.51 0.71 -0.15 7.04 3.58 -0.92 -0.76 116.42 126.43 1ua3 h ASP 81 Ca 0.19 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1ua3 h ASP 81 Cb 0.05 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1ua3 h ASP 81 CO -0.11 0.42 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.63 1ua3 h MET 82 N 0.83 0.27 -0.29 0.28 4.05 -0.73 -1.12 114.93 118.22 1ua3 h MET 82 Ca 0.39 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 1ua3 h MET 82 Cb 0.32 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1ua3 h MET 82 CO -0.23 0.51 0.19 0.28 0.23 0.00 0.00 176.91 177.89 1ua3 h VAL 83 N -0.00 1.06 0.05 -5.77 2.07 -0.93 -0.42 116.25 112.31 1ua3 h VAL 83 Ca 0.04 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ua3 h VAL 83 Cb 0.40 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1ua3 h VAL 83 CO 0.01 0.07 -0.16 0.74 0.02 0.00 0.00 177.57 178.25 1ua3 h THR 84 N 0.38 0.62 -0.22 2.57 2.02 -1.13 -0.50 112.91 116.65 1ua3 h THR 84 Ca 0.11 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1ua3 h THR 84 Cb -0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1ua3 h THR 84 CO -0.03 0.00 -0.42 0.03 0.37 0.00 0.00 175.52 175.47 1ua3 h ARG 85 N -0.29 0.53 -0.10 6.66 3.08 -0.99 -0.64 114.38 122.63 1ua3 h ARG 85 Ca 0.04 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 1ua3 h ARG 85 Cb 0.33 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ua3 h ARG 85 CO -0.12 0.86 -0.13 0.00 -1.07 0.00 0.00 179.97 179.51 1ua3 h ASN 87 N -0.16 0.70 0.91 0.00 2.35 -0.86 0.17 115.58 118.70 1ua3 h ASN 87 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ua3 h ASN 87 Cb 0.67 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ua3 h ASN 87 CO 0.03 0.44 0.00 0.78 -1.65 0.00 0.00 177.43 177.03 1ua3 h ASN 88 N 0.79 0.00 -0.28 5.81 2.35 -1.00 -1.26 115.58 122.00 1ua3 h ASN 88 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1ua3 h ASN 88 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ua3 h ASN 88 CO -0.12 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 176.99 1ua3 n VAL 89 N -2.89 2.26 -0.96 2.81 0.24 -0.86 -4.97 118.33 113.97 1ua3 n VAL 89 Ca 0.01 -1.83 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 1ua3 n VAL 89 Cb 0.28 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1ua3 n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ua3 n GLY 90 N -0.42 0.47 3.27 7.63 0.00 -0.47 -4.60 105.19 111.07 1ua3 n GLY 90 Ca 0.21 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1ua3 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua3 s VAL 91 N -2.00 2.87 0.51 1.61 1.01 -0.01 -4.53 120.40 119.87 1ua3 s VAL 91 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1ua3 s VAL 91 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ua3 s VAL 91 CO 0.00 0.49 0.83 -0.13 0.00 0.00 0.00 175.10 176.29 1ua3 s ARG 92 N 1.09 3.44 -0.12 2.72 1.81 -0.54 -2.67 118.95 124.68 1ua3 s ARG 92 Ca 0.00 0.22 0.02 0.00 -1.72 0.00 0.00 55.73 54.25 1ua3 s ARG 92 Cb -0.14 -2.33 -0.00 0.00 -0.45 0.00 0.00 34.95 32.02 1ua3 s ARG 92 CO -0.03 -0.33 -0.20 0.42 -0.68 0.00 0.00 175.30 174.48 1ua3 s ILE 93 N -2.83 2.34 -0.12 1.52 -1.09 -1.26 -0.22 121.20 119.53 1ua3 s ILE 93 Ca 0.49 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1ua3 s ILE 93 Cb -0.10 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1ua3 s ILE 93 CO 0.46 0.55 -0.23 -0.31 -1.23 0.00 0.00 174.94 174.18 1ua3 s TYR 94 N 0.49 2.62 -0.14 3.97 1.51 0.52 -0.71 117.35 125.61 1ua3 s TYR 94 Ca -0.14 -1.19 -0.14 0.00 -1.01 0.00 0.00 57.07 54.59 1ua3 s TYR 94 Cb -0.17 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1ua3 s TYR 94 CO 0.05 -0.51 0.33 0.08 -1.11 0.00 0.00 175.55 174.39 1ua3 s VAL 95 N 0.58 5.27 -0.54 0.71 1.01 -0.48 -1.46 120.40 125.49 1ua3 s VAL 95 Ca -0.13 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1ua3 s VAL 95 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1ua3 s VAL 95 CO 0.03 0.41 1.80 -0.62 0.00 0.00 0.00 175.10 176.72 1ua3 s ASP 96 N 0.28 5.50 -0.42 3.32 3.68 -1.14 -1.49 116.67 126.40 1ua3 s ASP 96 Ca 0.19 0.56 -0.18 0.00 2.13 0.00 0.00 52.55 55.25 1ua3 s ASP 96 Cb -0.14 -2.53 0.02 0.00 -1.45 0.00 0.00 42.92 38.83 1ua3 s ASP 96 CO 0.06 -2.16 0.45 0.00 0.13 0.00 0.00 175.17 173.66 1ua3 s ALA 97 N 8.28 3.42 -0.54 3.66 0.00 0.61 -4.16 121.76 133.02 1ua3 s ALA 97 Ca 0.69 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1ua3 s ALA 97 Cb -0.15 -3.07 0.12 0.00 0.00 0.00 0.00 23.12 20.02 1ua3 s ALA 97 CO 0.24 -1.61 0.52 0.08 0.00 0.00 0.00 175.76 175.00 1ua3 s VAL 98 N 2.19 5.16 0.00 0.00 1.01 -1.26 -1.68 120.40 125.82 1ua3 s VAL 98 Ca 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1ua3 s VAL 98 Cb -0.17 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1ua3 s VAL 98 CO 0.14 -0.89 0.10 2.30 0.00 0.00 0.00 175.10 176.74 1ua3 n ILE 99 N 5.29 0.00 0.14 2.22 -5.35 -1.26 -4.71 119.36 115.68 1ua3 n ILE 99 Ca -0.13 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1ua3 n ILE 99 Cb 0.40 1.30 0.13 0.00 -1.74 0.00 0.00 39.64 39.73 1ua3 n ILE 99 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1ua3 h ASN 100 N 0.00 0.00 -5.14 7.28 -1.24 -1.88 -3.46 115.58 111.13 1ua3 h ASN 100 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1ua3 h ASN 100 Cb 0.15 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.09 1ua3 h ASN 100 CO 0.00 0.60 -0.08 -1.38 -1.29 0.00 0.00 177.43 175.28 1ua3 s HIS 101 N -3.26 0.06 0.00 0.67 -3.43 -1.26 -1.56 115.29 106.50 1ua3 s HIS 101 Ca 0.01 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1ua3 s HIS 101 Cb 0.10 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1ua3 s HIS 101 CO 0.75 -0.86 0.00 -1.33 -2.00 0.00 0.00 174.74 171.30 1ua3 n MET 102 N -0.30 3.10 -1.89 -0.38 2.81 -0.51 -4.54 117.12 115.40 1ua3 n MET 102 Ca -0.09 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.58 1ua3 n MET 102 Cb 0.63 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.27 1ua3 n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ua3 s GLY 104 N -5.03 2.62 0.31 0.00 0.00 -1.26 -1.64 107.32 102.31 1ua3 s GLY 104 Ca 0.59 1.57 0.25 0.00 0.00 0.00 0.00 44.72 47.13 1ua3 s GLY 104 CO 0.40 2.37 1.75 1.48 0.00 0.00 0.00 173.10 179.11 1ua3 h SER 105 N 3.73 0.00 -0.14 1.64 4.64 -0.88 -2.36 113.55 120.18 1ua3 h SER 105 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ua3 h SER 105 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ua3 h SER 105 CO 0.70 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1ua3 n GLY 106 N -0.09 0.98 3.78 -0.77 0.00 -1.26 -4.14 105.19 103.69 1ua3 n GLY 106 Ca 0.02 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1ua3 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua3 s ALA 107 N -1.84 2.60 0.52 4.61 0.00 -0.89 -5.00 121.76 121.76 1ua3 s ALA 107 Ca 0.33 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 1ua3 s ALA 107 Cb 0.21 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1ua3 s ALA 107 CO 0.31 -1.02 1.02 0.00 0.00 0.00 0.00 175.76 176.07 1ua3 s ALA 108 N -2.27 2.90 0.35 0.00 0.00 -1.26 -4.27 121.76 117.21 1ua3 s ALA 108 Ca 0.67 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.78 1ua3 s ALA 108 Cb -0.19 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1ua3 s ALA 108 CO 0.37 -0.39 0.96 0.00 0.00 0.00 0.00 175.76 176.71 1ua3 s ALA 109 N -2.32 3.17 0.00 0.00 0.00 -1.26 -4.61 121.76 116.74 1ua3 s ALA 109 Ca 0.63 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1ua3 s ALA 109 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ua3 s ALA 109 CO 0.27 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1ua3 n GLY 110 N 0.35 0.24 0.73 0.00 0.00 -0.48 -4.93 105.19 101.09 1ua3 n GLY 110 Ca 0.03 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.53 1ua3 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ua3 n THR 111 N 9.00 2.28 -1.63 2.61 -2.24 -1.26 -1.83 114.28 121.21 1ua3 n THR 111 Ca 0.00 -2.83 -0.41 0.00 -2.27 0.00 0.00 64.05 58.54 1ua3 n THR 111 Cb 0.00 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1ua3 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ua3 n GLY 112 N -1.12 3.08 3.19 3.38 0.00 -1.26 -4.38 105.19 108.06 1ua3 n GLY 112 Ca 0.23 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1ua3 n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ua3 s THR 113 N 4.93 0.14 -0.69 2.61 -4.23 -1.26 -1.33 115.64 115.81 1ua3 s THR 113 Ca 0.54 -1.56 0.25 0.00 -1.18 0.00 0.00 61.69 59.75 1ua3 s THR 113 Cb 0.11 -1.65 0.27 0.00 1.34 0.00 0.00 72.50 72.57 1ua3 s THR 113 CO 0.04 -0.64 1.76 0.35 -0.54 0.00 0.00 174.62 175.59 1ua3 n THR 114 N -0.05 0.63 0.09 3.99 -2.24 -0.52 -2.32 114.28 113.86 1ua3 n THR 114 Ca -0.11 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1ua3 n THR 114 Cb 0.62 -0.77 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1ua3 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ua3 n GLY 116 N 0.08 0.53 3.72 0.00 0.00 -0.98 -5.03 105.19 103.51 1ua3 n GLY 116 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1ua3 n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ua3 n SER 117 N 0.06 2.09 -4.81 1.61 7.64 -1.26 -4.81 113.62 114.14 1ua3 n SER 117 Ca 0.00 0.85 -0.35 0.00 1.01 0.00 0.00 58.87 60.38 1ua3 n SER 117 Cb 0.00 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.59 1ua3 n SER 117 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ua3 s TYR 118 N -1.38 3.57 0.08 1.43 5.04 -1.26 -4.34 117.35 120.49 1ua3 s TYR 118 Ca 0.80 1.56 -0.12 0.00 -2.44 0.00 0.00 57.07 56.88 1ua3 s TYR 118 Cb -0.39 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.16 1ua3 s TYR 118 CO 0.42 0.17 0.27 0.00 -1.34 0.00 0.00 175.55 175.07 1ua3 s ASN 120 N -2.57 3.61 0.21 0.00 3.84 -0.10 -1.39 114.94 118.55 1ua3 s ASN 120 Ca 0.01 -2.85 -0.09 0.00 0.21 0.00 0.00 52.86 50.14 1ua3 s ASN 120 Cb 0.02 -1.09 0.23 0.00 -0.55 0.00 0.00 41.25 39.87 1ua3 s ASN 120 CO -0.09 -0.23 1.83 -0.65 -2.79 0.00 0.00 177.10 175.18 1ua3 h PRO 121 N 6.43 0.79 -0.97 0.43 0.11 -1.79 0.63 132.00 137.63 1ua3 h PRO 121 Ca 0.04 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 66.23 1ua3 h PRO 121 Cb 0.90 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 31.75 1ua3 h PRO 121 CO 0.51 0.52 0.61 0.78 -0.21 0.00 0.00 178.00 180.22 1ua3 h GLY 122 N 0.82 1.54 -2.36 -0.55 0.00 -1.74 0.23 103.07 100.99 1ua3 h GLY 122 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ua3 h GLY 122 CO -0.15 0.11 0.00 -2.01 0.00 0.00 0.00 176.54 174.50 1ua3 n ASN 123 N -4.62 3.48 -2.79 0.19 4.05 -0.69 -4.95 115.26 109.93 1ua3 n ASN 123 Ca 0.19 -1.99 -0.20 0.00 0.45 0.00 0.00 54.58 53.03 1ua3 n ASN 123 Cb 0.42 -0.39 0.04 0.00 1.23 0.00 0.00 39.78 41.08 1ua3 n ASN 123 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ua3 n ARG 124 N 1.43 -4.72 -3.56 1.20 3.00 0.07 -4.33 116.66 109.75 1ua3 n ARG 124 Ca 0.21 0.82 -0.39 0.00 -0.01 0.00 0.00 57.85 58.48 1ua3 n ARG 124 Cb 0.57 -5.51 -0.11 0.00 0.00 0.00 0.00 32.46 27.40 1ua3 n ARG 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ua3 s GLU 125 N -5.64 3.60 -0.55 5.56 2.02 -0.33 -3.11 118.70 120.24 1ua3 s GLU 125 Ca 0.30 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.77 1ua3 s GLU 125 Cb -0.13 -3.73 0.18 0.00 0.10 0.00 0.00 34.13 30.54 1ua3 s GLU 125 CO 0.37 -0.37 0.44 1.19 0.02 0.00 0.00 175.26 176.91 1ua3 n PHE 126 N 5.08 1.19 0.31 1.61 3.72 -0.48 -0.92 117.46 127.97 1ua3 n PHE 126 Ca -0.13 -3.81 0.16 0.00 -0.05 0.00 0.00 57.45 53.62 1ua3 n PHE 126 Cb 0.50 -0.20 0.74 0.00 -0.94 0.00 0.00 39.48 39.58 1ua3 n PHE 126 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ua3 h PRO 127 N 5.35 0.00 0.00 -1.08 0.13 -1.76 -0.22 132.00 134.42 1ua3 h PRO 127 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1ua3 h PRO 127 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ua3 h PRO 127 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 1ua3 n ALA 128 N -1.97 1.98 -0.08 -0.56 0.00 -1.26 -3.98 120.51 114.64 1ua3 n ALA 128 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1ua3 n ALA 128 Cb 0.20 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1ua3 n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ua3 n VAL 129 N -1.42 1.44 -3.45 0.00 0.31 -0.60 -4.72 118.33 109.89 1ua3 n VAL 129 Ca 0.07 0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 64.21 1ua3 n VAL 129 Cb 0.21 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 30.74 1ua3 n VAL 129 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ua3 s PRO 130 N -2.31 3.91 0.12 5.55 0.04 -1.26 -5.02 135.00 136.03 1ua3 s PRO 130 Ca -0.18 0.39 0.09 0.00 0.04 0.00 0.00 61.00 61.35 1ua3 s PRO 130 Cb 0.03 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1ua3 s PRO 130 CO 0.28 0.56 -0.20 0.71 0.04 0.00 0.00 177.00 178.38 1ua3 s TYR 131 N -1.35 2.48 0.19 0.56 2.02 -0.19 -4.98 117.35 116.07 1ua3 s TYR 131 Ca 0.33 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1ua3 s TYR 131 Cb -0.15 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1ua3 s TYR 131 CO 0.18 0.36 0.08 -1.13 -1.57 0.00 0.00 175.55 173.47 1ua3 n SER 132 N 0.88 0.75 -0.11 2.29 3.41 -1.25 -1.38 113.62 118.21 1ua3 n SER 132 Ca -0.16 -2.04 0.16 0.00 -0.26 0.00 0.00 58.87 56.57 1ua3 n SER 132 Cb 0.53 0.56 0.54 0.00 -0.26 0.00 0.00 64.21 65.58 1ua3 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ua3 h ALA 133 N 1.36 2.18 0.00 7.33 0.00 -1.73 0.27 119.26 128.67 1ua3 h ALA 133 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ua3 h ALA 133 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ua3 h ALA 133 CO 0.22 -0.36 0.02 -1.49 0.00 0.00 0.00 179.25 177.64 1ua3 h TRP 134 N 0.33 0.00 -0.67 0.00 4.06 -1.96 -2.81 115.95 114.89 1ua3 h TRP 134 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1ua3 h TRP 134 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1ua3 h TRP 134 CO -0.00 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 174.63 1ua3 n ASP 135 N -2.30 4.00 -4.41 -3.49 10.43 0.95 -4.93 116.55 116.80 1ua3 n ASP 135 Ca -0.02 -2.09 -0.21 0.00 2.57 0.00 0.00 54.79 55.05 1ua3 n ASP 135 Cb 0.06 -0.48 -0.10 0.00 1.84 0.00 0.00 41.12 42.43 1ua3 n ASP 135 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ua3 s PHE 136 N -1.17 1.90 -1.84 1.24 0.08 -1.06 -0.77 117.98 116.35 1ua3 s PHE 136 Ca 0.47 -0.72 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1ua3 s PHE 136 Cb 0.26 -1.08 0.31 0.00 -0.57 0.00 0.00 43.02 41.94 1ua3 s PHE 136 CO 0.30 0.25 1.23 0.09 -0.10 0.00 0.00 175.22 176.98 1ua3 n ASN 137 N -0.56 1.99 -0.27 1.36 3.02 0.94 -4.59 115.26 117.15 1ua3 n ASN 137 Ca -0.05 -2.05 0.06 0.00 -0.03 0.00 0.00 54.58 52.51 1ua3 n ASN 137 Cb 0.63 -0.27 0.20 0.00 -0.61 0.00 0.00 39.78 39.74 1ua3 n ASN 137 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1ua3 h ASP 138 N 1.98 0.36 0.83 6.41 5.19 -1.86 0.97 116.42 130.30 1ua3 h ASP 138 Ca 0.00 0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 1ua3 h ASP 138 Cb 0.54 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1ua3 h ASP 138 CO 0.03 0.14 -0.50 1.23 -3.12 0.00 0.00 179.24 177.01 1ua3 h GLY 139 N 0.50 0.00 2.00 2.75 0.00 -1.95 -3.26 103.07 103.10 1ua3 h GLY 139 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 1ua3 h GLY 139 CO -0.40 0.00 -0.74 1.70 0.00 0.00 0.00 176.54 177.11 1ua3 h LYS 140 N 0.00 0.00 -6.59 4.80 3.64 -1.15 -3.44 116.57 113.83 1ua3 h LYS 140 Ca -0.01 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1ua3 h LYS 140 Cb 1.05 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1ua3 h LYS 140 CO 0.07 0.74 0.59 0.00 -2.27 0.00 0.00 179.45 178.58 1ua3 n LYS 142 N 3.18 1.57 -2.44 0.00 4.76 -1.26 -4.95 118.16 119.01 1ua3 n LYS 142 Ca 0.07 -1.64 -0.32 0.00 -2.87 0.00 0.00 58.31 53.55 1ua3 n LYS 142 Cb 0.45 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.28 1ua3 n LYS 142 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ua3 s THR 143 N -1.22 4.54 0.34 -0.18 -4.23 -1.26 -4.96 115.64 108.67 1ua3 s THR 143 Ca 0.22 1.20 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 1ua3 s THR 143 Cb 0.14 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.35 1ua3 s THR 143 CO 0.20 -0.66 1.80 0.00 -0.54 0.00 0.00 174.62 175.41 1ua3 h ALA 144 N 0.98 1.30 0.00 3.99 0.00 -1.94 -2.66 119.26 120.93 1ua3 h ALA 144 Ca -0.47 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1ua3 h ALA 144 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ua3 h ALA 144 CO 0.62 0.49 -0.39 0.66 0.00 0.00 0.00 179.25 180.62 1ua3 h SER 145 N 0.17 0.00 0.00 0.00 4.64 -1.99 -3.47 113.55 112.90 1ua3 h SER 145 Ca 0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ua3 h SER 145 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1ua3 h SER 145 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1ua3 n GLY 146 N 1.13 1.25 3.90 -0.77 0.00 -1.00 -5.03 105.19 104.67 1ua3 n GLY 146 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1ua3 n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ua3 s GLY 147 N -2.00 2.13 -0.16 -0.02 0.00 -1.26 -1.63 107.32 104.38 1ua3 s GLY 147 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 1ua3 s GLY 147 CO 0.00 -1.71 1.43 -0.42 0.00 0.00 0.00 173.10 172.39 1ua3 s ILE 148 N -2.51 3.99 -0.08 0.90 1.01 -0.93 -4.68 121.20 118.89 1ua3 s ILE 148 Ca 0.48 1.17 0.10 0.00 0.00 0.00 0.00 60.65 62.40 1ua3 s ILE 148 Cb -0.04 -3.83 -0.15 0.00 0.01 0.00 0.00 42.46 38.45 1ua3 s ILE 148 CO 0.28 -0.19 0.10 -0.62 0.00 0.00 0.00 174.94 174.52 1ua3 n GLU 149 N 7.01 1.65 -3.72 2.79 1.02 -1.26 -4.97 120.64 123.16 1ua3 n GLU 149 Ca 0.16 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 1ua3 n GLU 149 Cb 0.45 -1.28 -0.16 0.00 -0.02 0.00 0.00 31.44 30.42 1ua3 n GLU 149 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ua3 s SER 150 N -4.07 0.38 0.00 1.62 0.15 -1.26 -5.01 113.70 105.51 1ua3 s SER 150 Ca -0.05 0.20 0.31 0.00 0.70 0.00 0.00 55.95 57.12 1ua3 s SER 150 Cb 0.05 0.09 1.73 0.00 -1.71 0.00 0.00 66.02 66.17 1ua3 s SER 150 CO 0.47 -0.19 2.15 -1.22 1.20 0.00 0.00 173.24 175.65 1ua3 n TYR 151 N 4.68 0.00 0.67 3.44 4.01 -1.26 -3.06 117.16 125.64 1ua3 n TYR 151 Ca -0.17 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1ua3 n TYR 151 Cb 0.50 -0.13 0.47 0.00 -0.31 0.00 0.00 39.34 39.87 1ua3 n TYR 151 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ua3 n ASN 152 N -1.13 0.34 -4.13 7.72 2.85 -1.26 -4.31 115.26 115.34 1ua3 n ASN 152 Ca 0.19 0.55 -0.35 0.00 -0.11 0.00 0.00 54.58 54.86 1ua3 n ASN 152 Cb 0.17 -0.64 -0.12 0.00 1.24 0.00 0.00 39.78 40.43 1ua3 n ASN 152 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ua3 s ASP 153 N -3.63 5.13 0.57 1.20 3.68 -1.17 -4.81 116.67 117.63 1ua3 s ASP 153 Ca 0.10 -1.82 0.26 0.00 2.13 0.00 0.00 52.55 53.22 1ua3 s ASP 153 Cb 0.13 -1.78 1.55 0.00 -1.45 0.00 0.00 42.92 41.36 1ua3 s ASP 153 CO 0.46 -0.45 2.07 -0.65 0.13 0.00 0.00 175.17 176.73 1ua3 h PRO 154 N 8.01 0.00 0.07 4.34 0.11 -1.87 -2.52 132.00 140.14 1ua3 h PRO 154 Ca -0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1ua3 h PRO 154 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ua3 h PRO 154 CO 0.64 0.00 -0.03 1.88 -0.21 0.00 0.00 178.00 180.27 1ua3 h TYR 155 N 0.00 -0.09 -0.61 0.65 -1.99 -1.94 -2.38 116.97 110.61 1ua3 h TYR 155 Ca 0.12 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.97 1ua3 h TYR 155 Cb 0.59 0.03 -0.12 0.00 2.00 0.00 0.00 36.73 39.23 1ua3 h TYR 155 CO 0.00 0.30 -0.20 1.96 -0.00 0.00 0.00 178.16 180.22 1ua3 h GLN 156 N -0.49 -0.04 -0.20 4.88 4.20 -1.78 0.26 115.11 121.93 1ua3 h GLN 156 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1ua3 h GLN 156 Cb 0.42 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1ua3 h GLN 156 CO 0.02 -0.03 -0.01 0.28 -0.67 0.00 0.00 178.83 178.41 1ua3 h VAL 157 N -0.04 1.14 0.00 -0.54 2.07 -1.33 -1.17 116.25 116.38 1ua3 h VAL 157 Ca 0.28 -0.54 -0.24 0.00 0.82 0.00 0.00 66.70 67.02 1ua3 h VAL 157 Cb 0.48 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1ua3 h VAL 157 CO -0.65 0.18 -2.05 0.54 0.02 0.00 0.00 177.57 175.61 1ua3 n ARG 158 N -4.36 0.66 -0.00 1.57 3.00 -0.91 -4.51 116.66 112.12 1ua3 n ARG 158 Ca -0.00 0.02 0.06 0.00 -0.01 0.00 0.00 57.85 57.92 1ua3 n ARG 158 Cb 0.19 -1.60 -0.08 0.00 0.00 0.00 0.00 32.46 30.97 1ua3 n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ua3 n ASP 159 N -2.69 0.83 -4.81 0.55 10.43 0.88 -4.69 116.55 117.04 1ua3 n ASP 159 Ca -0.20 -0.69 -0.25 0.00 2.57 0.00 0.00 54.79 56.22 1ua3 n ASP 159 Cb 0.95 1.10 -0.05 0.00 1.84 0.00 0.00 41.12 44.97 1ua3 n ASP 159 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ua3 s GLN 161 N -4.05 4.45 -0.18 0.00 -0.21 -0.64 -4.73 119.66 114.30 1ua3 s GLN 161 Ca 0.37 1.54 -0.26 0.00 0.02 0.00 0.00 55.36 57.03 1ua3 s GLN 161 Cb 0.01 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 1ua3 s GLN 161 CO 0.21 -0.25 0.87 -1.17 -2.12 0.00 0.00 175.29 172.84 1ua3 s LEU 162 N 1.55 4.17 -0.51 2.90 2.96 -1.26 -2.20 118.68 126.29 1ua3 s LEU 162 Ca 0.53 1.22 -0.06 0.00 -0.22 0.00 0.00 54.13 55.61 1ua3 s LEU 162 Cb -0.23 -3.30 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1ua3 s LEU 162 CO 0.24 -0.44 0.10 1.33 -1.32 0.00 0.00 176.35 176.26 1ua3 n VAL 163 N 4.83 -0.61 -0.87 1.68 0.24 -1.26 -0.43 118.33 121.91 1ua3 n VAL 163 Ca 0.06 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1ua3 n VAL 163 Cb 0.48 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1ua3 n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ua3 n GLY 164 N -1.49 0.84 3.71 7.63 0.00 -1.26 -4.95 105.19 109.67 1ua3 n GLY 164 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1ua3 n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ua3 s LEU 165 N 0.00 4.40 0.08 0.99 1.43 0.42 -0.16 118.68 125.84 1ua3 s LEU 165 Ca 0.00 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 1ua3 s LEU 165 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1ua3 s LEU 165 CO 0.00 -0.25 1.91 0.18 0.23 0.00 0.00 176.35 178.42 1ua3 n LEU 166 N 3.67 4.14 -4.52 1.79 4.77 -0.65 -4.02 117.00 122.17 1ua3 n LEU 166 Ca 0.06 0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 56.57 1ua3 n LEU 166 Cb 0.50 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.96 1ua3 n LEU 166 CO 0.52 0.20 0.02 -0.62 -1.33 0.00 0.00 177.39 176.19 1ua3 s ASP 167 N 3.61 6.16 0.45 -1.43 2.15 -1.26 -1.42 116.67 124.92 1ua3 s ASP 167 Ca 0.85 -0.42 -0.24 0.00 0.43 0.00 0.00 52.55 53.18 1ua3 s ASP 167 Cb -0.45 -2.19 -0.08 0.00 -0.30 0.00 0.00 42.92 39.90 1ua3 s ASP 167 CO 0.40 -0.39 1.22 -0.76 -0.17 0.00 0.00 175.17 175.47 1ua3 s LEU 168 N 1.98 4.07 -1.22 -1.34 1.43 -0.60 -0.04 118.68 122.95 1ua3 s LEU 168 Ca 0.10 2.45 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 1ua3 s LEU 168 Cb -0.17 -4.12 0.11 0.00 0.03 0.00 0.00 46.19 42.03 1ua3 s LEU 168 CO 0.12 -0.94 1.58 0.00 0.23 0.00 0.00 176.35 177.33 1ua3 s ALA 169 N -1.42 3.51 -1.32 4.21 0.00 0.05 -4.53 121.76 122.27 1ua3 s ALA 169 Ca 0.62 -3.01 0.16 0.00 0.00 0.00 0.00 51.96 49.72 1ua3 s ALA 169 Cb -0.33 -4.42 0.77 0.00 0.00 0.00 0.00 23.12 19.14 1ua3 s ALA 169 CO 0.40 -3.12 1.47 1.28 0.00 0.00 0.00 175.76 175.79 1ua3 n LEU 170 N 7.37 0.00 0.15 0.00 7.99 -1.26 -1.55 117.00 129.70 1ua3 n LEU 170 Ca 0.42 0.34 -0.00 0.00 -0.01 0.00 0.00 56.01 56.76 1ua3 n LEU 170 Cb 0.45 -0.34 0.23 0.00 -0.11 0.00 0.00 43.42 43.66 1ua3 n LEU 170 CO 0.69 -0.16 0.57 1.05 -1.51 0.00 0.00 177.39 178.04 1ua3 h GLU 171 N 0.00 0.00 -6.66 3.23 4.11 -1.96 -3.43 114.58 109.88 1ua3 h GLU 171 Ca 0.00 -0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.92 1ua3 h GLU 171 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ua3 h GLU 171 CO 0.00 0.54 0.38 0.15 0.07 0.00 0.00 179.01 180.14 1ua3 s LYS 172 N -3.80 4.75 0.34 1.06 1.02 -0.60 -4.94 119.74 117.57 1ua3 s LYS 172 Ca -0.02 1.51 0.05 0.00 0.02 0.00 0.00 55.97 57.54 1ua3 s LYS 172 Cb 0.13 -3.32 0.63 0.00 -0.52 0.00 0.00 37.83 34.75 1ua3 s LYS 172 CO 0.75 0.32 1.87 0.22 -0.92 0.00 0.00 175.35 177.59 1ua3 h ASP 173 N 4.89 0.43 -0.43 2.83 3.58 -1.89 -0.92 116.42 124.91 1ua3 h ASP 173 Ca -0.44 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 56.98 1ua3 h ASP 173 Cb 1.21 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.09 1ua3 h ASP 173 CO 0.70 0.54 0.15 0.22 -2.88 0.00 0.00 179.24 177.97 1ua3 h TYR 174 N 0.44 0.26 -0.06 0.28 3.20 -1.94 0.80 116.97 119.94 1ua3 h TYR 174 Ca 0.09 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1ua3 h TYR 174 Cb 0.36 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1ua3 h TYR 174 CO 0.01 0.09 -0.17 0.28 -1.64 0.00 0.00 178.16 176.73 1ua3 h VAL 175 N 0.31 1.43 -1.00 1.81 2.07 -1.72 -1.25 116.25 117.90 1ua3 h VAL 175 Ca 0.20 -1.55 0.21 0.00 0.82 0.00 0.00 66.70 66.38 1ua3 h VAL 175 Cb 0.20 2.29 -0.11 0.00 -1.52 0.00 0.00 31.29 32.16 1ua3 h VAL 175 CO -0.21 0.43 0.61 0.03 0.02 0.00 0.00 177.57 178.45 1ua3 h ARG 176 N -0.29 0.67 0.11 1.57 3.08 -1.07 -1.59 114.38 116.86 1ua3 h ARG 176 Ca -0.00 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 59.73 1ua3 h ARG 176 Cb 0.79 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1ua3 h ARG 176 CO 0.04 0.44 -1.19 0.77 -1.07 0.00 0.00 179.97 178.96 1ua3 h SER 177 N 0.69 0.62 -0.45 7.04 0.02 -0.67 -0.73 113.55 120.07 1ua3 h SER 177 Ca 0.59 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ua3 h SER 177 Cb 1.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1ua3 h SER 177 CO -0.39 1.43 0.29 -0.03 -1.14 0.00 0.00 176.83 176.98 1ua3 h MET 178 N 0.18 0.57 -0.23 3.45 -1.53 -0.81 0.05 114.93 116.60 1ua3 h MET 178 Ca -0.15 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.06 1ua3 h MET 178 Cb 1.88 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.79 1ua3 h MET 178 CO 0.21 0.38 0.06 0.82 0.14 0.00 0.00 176.91 178.52 1ua3 h ILE 179 N 0.58 1.20 -0.94 1.77 2.04 -1.24 -2.71 117.51 118.22 1ua3 h ILE 179 Ca 0.17 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.45 1ua3 h ILE 179 Cb -0.04 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1ua3 h ILE 179 CO -0.05 0.21 0.61 0.00 0.00 0.00 0.00 178.15 178.91 1ua3 h ALA 180 N 0.89 1.49 -0.59 1.87 0.00 -0.94 -1.08 119.26 120.90 1ua3 h ALA 180 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ua3 h ALA 180 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ua3 h ALA 180 CO -0.00 0.36 0.21 -0.44 0.00 0.00 0.00 179.25 179.38 1ua3 h ASP 181 N 1.06 0.83 0.30 0.00 3.45 -0.81 0.42 116.42 121.67 1ua3 h ASP 181 Ca 0.41 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 1ua3 h ASP 181 Cb 0.22 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1ua3 h ASP 181 CO -0.16 0.79 -0.20 0.22 -1.57 0.00 0.00 179.24 178.32 1ua3 h TYR 182 N 0.82 -0.52 -0.72 4.55 -0.00 -1.12 -1.47 116.97 118.51 1ua3 h TYR 182 Ca 0.19 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.88 1ua3 h TYR 182 Cb 0.24 0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.12 1ua3 h TYR 182 CO 0.01 -0.31 0.31 -0.07 -0.00 0.00 0.00 178.16 178.10 1ua3 h LEU 183 N -0.49 0.96 -0.76 2.82 3.38 -0.83 -2.46 115.31 117.93 1ua3 h LEU 183 Ca -0.03 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1ua3 h LEU 183 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ua3 h LEU 183 CO 0.02 0.84 -0.31 0.78 0.09 0.00 0.00 178.44 179.86 1ua3 h ASN 184 N 1.04 0.61 -0.63 -0.43 2.35 -0.08 -0.21 115.58 118.22 1ua3 h ASN 184 Ca 0.24 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1ua3 h ASN 184 Cb 0.17 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1ua3 h ASN 184 CO -0.02 0.88 0.38 0.50 -1.65 0.00 0.00 177.43 177.52 1ua3 h LYS 185 N 0.50 0.72 -0.45 0.81 3.64 -0.94 -0.95 116.57 119.91 1ua3 h LYS 185 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1ua3 h LYS 185 Cb 0.79 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1ua3 h LYS 185 CO 0.06 0.48 0.20 -0.07 -2.27 0.00 0.00 179.45 177.85 1ua3 h LEU 186 N 0.75 0.61 -0.33 5.20 4.07 -0.97 -1.62 115.31 123.02 1ua3 h LEU 186 Ca 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1ua3 h LEU 186 Cb 0.04 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1ua3 h LEU 186 CO -0.11 0.59 0.21 0.40 -1.08 0.00 0.00 178.44 178.44 1ua3 h ILE 187 N 0.59 1.10 -0.21 1.22 2.04 -0.81 -2.07 117.51 119.38 1ua3 h ILE 187 Ca 0.15 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1ua3 h ILE 187 Cb 0.15 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1ua3 h ILE 187 CO -0.02 0.10 -0.13 0.44 0.00 0.00 0.00 178.15 178.54 1ua3 h ASP 188 N 0.43 0.32 -0.22 1.72 3.45 -1.02 0.24 116.42 121.35 1ua3 h ASP 188 Ca 0.12 -0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1ua3 h ASP 188 Cb -0.01 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1ua3 h ASP 188 CO -0.02 0.48 0.08 0.40 -1.57 0.00 0.00 179.24 178.61 1ua3 h ILE 189 N 0.32 1.13 0.00 0.35 2.04 -0.90 -3.47 117.51 116.97 1ua3 h ILE 189 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1ua3 h ILE 189 Cb 0.43 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1ua3 h ILE 189 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.94 1ua3 n GLY 190 N -1.22 0.00 3.75 5.37 0.00 0.07 -4.72 105.19 108.45 1ua3 n GLY 190 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1ua3 n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua3 s VAL 191 N -0.78 2.22 -0.48 1.61 1.01 -0.92 -4.75 120.40 118.32 1ua3 s VAL 191 Ca 0.00 0.17 0.22 0.00 0.00 0.00 0.00 61.98 62.37 1ua3 s VAL 191 Cb 0.00 -3.09 -0.21 0.00 0.00 0.00 0.00 36.38 33.09 1ua3 s VAL 191 CO 0.00 -0.00 0.82 0.00 0.00 0.00 0.00 175.10 175.91 1ua3 n ALA 192 N -0.94 3.45 0.00 5.51 0.00 0.11 -4.61 120.51 124.03 1ua3 n ALA 192 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1ua3 n ALA 192 Cb 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1ua3 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ua3 n GLY 193 N 1.35 -1.47 3.01 0.00 0.00 -1.25 -1.61 105.19 105.22 1ua3 n GLY 193 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1ua3 n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ua3 s PHE 194 N -2.83 -0.21 -0.19 1.61 0.40 0.25 -1.38 117.98 115.63 1ua3 s PHE 194 Ca 0.00 0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 56.59 1ua3 s PHE 194 Cb 0.00 0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.53 1ua3 s PHE 194 CO 0.00 -0.15 1.21 0.50 0.70 0.00 0.00 175.22 177.47 1ua3 s ARG 195 N 0.76 4.22 -0.62 0.44 3.52 -0.55 -1.47 118.95 125.25 1ua3 s ARG 195 Ca -0.06 1.55 -0.23 0.00 -0.13 0.00 0.00 55.73 56.87 1ua3 s ARG 195 Cb -0.07 -3.74 0.06 0.00 -1.56 0.00 0.00 34.95 29.64 1ua3 s ARG 195 CO -0.04 -0.72 0.92 0.42 -0.81 0.00 0.00 175.30 175.07 1ua3 s ILE 196 N 3.48 4.41 0.36 4.11 -1.09 -0.03 -0.28 121.20 132.15 1ua3 s ILE 196 Ca 0.52 -0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 58.43 1ua3 s ILE 196 Cb -0.20 -4.61 -0.10 0.00 -1.58 0.00 0.00 42.46 35.97 1ua3 s ILE 196 CO 0.13 -1.30 1.39 -0.62 -1.23 0.00 0.00 174.94 173.31 1ua3 s ASP 197 N 3.38 6.53 -1.43 3.58 -1.08 -0.67 -1.26 116.67 125.71 1ua3 s ASP 197 Ca 0.23 2.87 -0.11 0.00 -0.52 0.00 0.00 52.55 55.02 1ua3 s ASP 197 Cb -0.16 -2.66 0.04 0.00 -1.46 0.00 0.00 42.92 38.68 1ua3 s ASP 197 CO 0.12 -0.73 1.08 0.00 0.52 0.00 0.00 175.17 176.17 1ua3 n ALA 198 N 0.58 -1.34 0.23 3.66 0.00 -1.26 -4.59 120.51 117.79 1ua3 n ALA 198 Ca 0.01 0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.80 1ua3 n ALA 198 Cb 0.41 -4.91 0.53 0.00 0.00 0.00 0.00 19.45 15.48 1ua3 n ALA 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ua3 h SER 199 N -2.41 0.00 -0.52 0.00 0.02 -1.18 -1.56 113.55 107.91 1ua3 h SER 199 Ca -0.58 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.50 1ua3 h SER 199 Cb 1.37 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 1ua3 h SER 199 CO 0.61 0.21 0.36 0.50 -1.14 0.00 0.00 176.83 177.37 1ua3 h LYS 200 N 0.00 0.13 -0.53 3.45 3.64 -1.88 -1.34 116.57 120.05 1ua3 h LYS 200 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ua3 h LYS 200 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ua3 h LYS 200 CO 0.03 0.09 0.00 0.72 -2.27 0.00 0.00 179.45 178.01 1ua3 n HIS 201 N -4.42 0.76 -4.34 1.91 8.25 -0.59 -4.66 115.22 112.13 1ua3 n HIS 201 Ca 0.09 -0.35 -0.23 0.00 -0.26 0.00 0.00 57.72 56.97 1ua3 n HIS 201 Cb 0.50 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 1ua3 n HIS 201 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ua3 s MET 202 N -1.46 1.28 0.19 -0.41 -1.94 -0.51 -4.36 119.30 112.08 1ua3 s MET 202 Ca 0.33 -1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 1ua3 s MET 202 Cb 0.19 -1.44 -0.08 0.00 2.01 0.00 0.00 34.83 35.50 1ua3 s MET 202 CO 0.21 0.31 1.28 -1.58 -0.01 0.00 0.00 175.02 175.22 1ua3 s TRP 203 N -1.74 3.31 0.31 -0.03 0.52 -1.26 -4.92 118.94 115.13 1ua3 s TRP 203 Ca 0.14 1.27 0.08 0.00 0.02 0.00 0.00 56.10 57.61 1ua3 s TRP 203 Cb -0.07 -3.55 0.88 0.00 -1.15 0.00 0.00 33.47 29.58 1ua3 s TRP 203 CO 0.06 -1.69 1.68 -1.35 0.02 0.00 0.00 176.95 175.68 1ua3 h PRO 204 N 5.45 0.37 -0.19 4.98 0.11 -1.89 -1.25 132.00 139.59 1ua3 h PRO 204 Ca -0.44 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1ua3 h PRO 204 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ua3 h PRO 204 CO 0.77 0.24 -0.43 0.78 -0.21 0.00 0.00 178.00 179.15 1ua3 h GLY 205 N 0.38 0.48 0.86 -0.55 0.00 -1.92 -0.48 103.07 101.84 1ua3 h GLY 205 Ca 0.64 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1ua3 h GLY 205 CO -0.57 0.44 0.03 -0.55 0.00 0.00 0.00 176.54 175.89 1ua3 h ASP 206 N 0.36 0.42 -0.51 0.19 3.45 -1.57 -1.62 116.42 117.14 1ua3 h ASP 206 Ca 0.03 -0.28 0.04 0.00 0.43 0.00 0.00 57.03 57.25 1ua3 h ASP 206 Cb 0.91 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 39.53 1ua3 h ASP 206 CO 0.08 0.59 0.27 0.40 -1.57 0.00 0.00 179.24 179.01 1ua3 h ILE 207 N 0.23 0.99 -0.83 0.35 2.04 -1.18 -1.78 117.51 117.31 1ua3 h ILE 207 Ca 0.08 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.86 1ua3 h ILE 207 Cb 0.36 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 1ua3 h ILE 207 CO 0.01 0.10 0.47 0.50 0.00 0.00 0.00 178.15 179.22 1ua3 h LYS 208 N 0.53 0.74 -0.10 2.37 1.63 -0.94 -0.08 116.57 120.72 1ua3 h LYS 208 Ca 0.22 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.87 1ua3 h LYS 208 Cb 0.10 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1ua3 h LYS 208 CO -0.14 0.49 -0.42 0.00 -3.45 0.00 0.00 179.45 175.93 1ua3 h ALA 209 N 1.48 1.11 -0.00 5.00 0.00 -0.46 -0.02 119.26 126.36 1ua3 h ALA 209 Ca 0.41 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ua3 h ALA 209 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ua3 h ALA 209 CO -0.27 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 1ua3 h VAL 210 N 0.18 1.28 -0.19 0.00 2.07 -0.74 -3.29 116.25 115.56 1ua3 h VAL 210 Ca 0.01 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1ua3 h VAL 210 Cb 0.83 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1ua3 h VAL 210 CO 0.06 0.21 -0.04 -0.07 0.02 0.00 0.00 177.57 177.76 1ua3 h LEU 211 N -0.35 0.26 -0.99 2.57 4.07 -0.50 -1.31 115.31 119.06 1ua3 h LEU 211 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ua3 h LEU 211 Cb 0.35 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1ua3 h LEU 211 CO 0.00 0.34 0.00 0.47 -1.08 0.00 0.00 178.44 178.17 1ua3 n ASP 212 N -4.34 0.57 -0.53 -0.43 8.00 -0.07 -1.85 116.55 117.91 1ua3 n ASP 212 Ca -0.00 0.70 0.14 0.00 0.71 0.00 0.00 54.79 56.33 1ua3 n ASP 212 Cb 0.21 -0.80 0.43 0.00 -0.02 0.00 0.00 41.12 40.94 1ua3 n ASP 212 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ua3 n LYS 213 N -2.19 1.66 -3.20 -1.24 5.02 -0.49 -4.98 118.16 112.73 1ua3 n LYS 213 Ca 0.00 -1.06 -0.36 0.00 -2.02 0.00 0.00 58.31 54.87 1ua3 n LYS 213 Cb 0.13 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1ua3 n LYS 213 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ua3 s LEU 214 N -2.07 4.39 0.68 -0.35 1.43 -0.77 -5.00 118.68 116.99 1ua3 s LEU 214 Ca 0.35 1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 54.58 1ua3 s LEU 214 Cb 0.21 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 43.08 1ua3 s LEU 214 CO 0.36 0.11 1.19 -1.00 0.23 0.00 0.00 176.35 177.23 1ua3 s HIS 215 N -1.41 2.26 0.75 0.29 3.76 -1.26 -5.03 115.29 114.65 1ua3 s HIS 215 Ca 0.39 1.57 -0.14 0.00 -0.15 0.00 0.00 55.06 56.72 1ua3 s HIS 215 Cb -0.17 -3.41 0.05 0.00 1.11 0.00 0.00 32.58 30.16 1ua3 s HIS 215 CO 0.20 -2.31 1.21 -0.80 -0.85 0.00 0.00 174.74 172.19 1ua3 s ASN 216 N -2.03 4.01 0.80 1.40 0.01 -1.26 -4.56 114.94 113.32 1ua3 s ASN 216 Ca 0.74 2.36 -0.11 0.00 -0.71 0.00 0.00 52.86 55.14 1ua3 s ASN 216 Cb -0.28 -2.59 0.07 0.00 0.41 0.00 0.00 41.25 38.87 1ua3 s ASN 216 CO 0.41 -2.38 1.10 -0.76 -1.51 0.00 0.00 177.10 173.95 1ua3 s LEU 217 N -5.32 2.93 -0.07 0.60 1.43 0.09 -4.87 118.68 113.47 1ua3 s LEU 217 Ca 0.74 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 1ua3 s LEU 217 Cb -0.29 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 1ua3 s LEU 217 CO 0.47 -2.20 1.39 0.21 0.23 0.00 0.00 176.35 176.45 1ua3 s ASN 218 N -3.33 6.86 0.00 2.29 3.84 -1.26 -4.79 114.94 118.55 1ua3 s ASN 218 Ca 0.62 1.98 0.27 0.00 0.21 0.00 0.00 52.86 55.94 1ua3 s ASN 218 Cb -0.18 -2.55 1.55 0.00 -0.55 0.00 0.00 41.25 39.53 1ua3 s ASN 218 CO 0.56 -0.76 1.95 0.35 -2.79 0.00 0.00 177.10 176.41 1ua3 n THR 219 N 5.05 0.04 0.12 -5.21 -2.24 -1.26 -1.52 114.28 109.26 1ua3 n THR 219 Ca 0.14 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1ua3 n THR 219 Cb 0.44 -0.59 0.65 0.00 -2.10 0.00 0.00 70.33 68.74 1ua3 n THR 219 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ua3 h ASN 220 N 0.00 0.02 0.00 3.42 2.35 -1.99 -3.36 115.58 116.03 1ua3 h ASN 220 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ua3 h ASN 220 Cb 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ua3 h ASN 220 CO 0.00 0.02 -0.35 0.79 -1.65 0.00 0.00 177.43 176.24 1ua3 n TRP 221 N -4.46 0.00 -4.35 1.19 8.01 -0.77 -5.08 117.44 111.98 1ua3 n TRP 221 Ca 0.04 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.96 1ua3 n TRP 221 Cb 0.35 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.52 1ua3 n TRP 221 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1ua3 s PHE 222 N -0.73 2.08 0.37 -5.99 0.40 -0.58 -5.08 117.98 108.45 1ua3 s PHE 222 Ca 0.00 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.67 1ua3 s PHE 222 Cb 0.00 -1.13 -0.12 0.00 0.51 0.00 0.00 43.02 42.28 1ua3 s PHE 222 CO 0.00 0.28 1.10 -2.30 0.70 0.00 0.00 175.22 175.00 1ua3 n PRO 223 N 1.00 1.59 -1.47 0.24 -0.02 -1.26 -4.14 135.00 130.94 1ua3 n PRO 223 Ca -0.19 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 1ua3 n PRO 223 Cb 0.53 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1ua3 n PRO 223 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ua3 n ALA 224 N -0.10 -1.31 -1.00 3.55 0.00 -1.26 -2.63 120.51 117.76 1ua3 n ALA 224 Ca 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ua3 n ALA 224 Cb 0.37 -1.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 1ua3 n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ua3 n GLY 225 N 1.73 0.48 3.69 0.00 0.00 -1.26 -5.00 105.19 104.83 1ua3 n GLY 225 Ca 0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1ua3 n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ua3 s SER 226 N -2.10 7.18 0.11 1.61 0.01 -1.08 -4.97 113.70 114.47 1ua3 s SER 226 Ca 0.00 1.45 -0.19 0.00 1.31 0.00 0.00 55.95 58.52 1ua3 s SER 226 Cb 0.00 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 1ua3 s SER 226 CO 0.00 -0.43 0.60 -0.13 0.41 0.00 0.00 173.24 173.69 1ua3 s ARG 227 N 2.00 4.19 0.30 12.44 1.81 -1.26 -0.73 118.95 137.68 1ua3 s ARG 227 Ca 0.46 0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 54.90 1ua3 s ARG 227 Cb -0.18 -3.13 -0.12 0.00 -0.45 0.00 0.00 34.95 31.07 1ua3 s ARG 227 CO 0.17 0.57 1.58 -0.35 -0.68 0.00 0.00 175.30 176.59 1ua3 n PRO 228 N 1.40 2.67 -1.71 3.54 -0.04 -1.26 -4.90 135.00 134.70 1ua3 n PRO 228 Ca -0.08 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 63.90 1ua3 n PRO 228 Cb 0.51 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 1ua3 n PRO 228 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ua3 n PHE 229 N 2.02 2.66 -4.05 0.54 -0.00 -0.63 -4.75 117.46 113.25 1ua3 n PHE 229 Ca 0.08 0.11 -0.31 0.00 -0.00 0.00 0.00 57.45 57.33 1ua3 n PHE 229 Cb 0.37 -2.64 -0.16 0.00 -0.00 0.00 0.00 39.48 37.05 1ua3 n PHE 229 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ua3 s ILE 230 N 1.01 1.77 -0.11 -2.13 -1.09 -0.24 -0.58 121.20 119.83 1ua3 s ILE 230 Ca 0.75 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1ua3 s ILE 230 Cb -0.54 -1.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1ua3 s ILE 230 CO 0.35 0.42 -0.19 0.72 -1.23 0.00 0.00 174.94 175.01 1ua3 s PHE 231 N 1.39 2.23 -0.22 3.97 -0.12 -0.54 -0.57 117.98 124.13 1ua3 s PHE 231 Ca 0.03 -1.02 -0.10 0.00 -0.05 0.00 0.00 56.93 55.79 1ua3 s PHE 231 Cb -0.14 -1.55 -0.05 0.00 -0.63 0.00 0.00 43.02 40.65 1ua3 s PHE 231 CO -0.11 -0.48 0.14 -0.65 -0.05 0.00 0.00 175.22 174.08 1ua3 s GLN 232 N 0.75 4.12 -0.64 1.99 -0.21 -0.38 -0.85 119.66 124.45 1ua3 s GLN 232 Ca -0.11 -0.25 -0.27 0.00 0.02 0.00 0.00 55.36 54.76 1ua3 s GLN 232 Cb -0.16 -3.47 0.00 0.00 1.00 0.00 0.00 33.01 30.38 1ua3 s GLN 232 CO 0.01 0.18 1.60 -2.00 -2.12 0.00 0.00 175.29 172.96 1ua3 s GLU 233 N 0.71 2.94 -0.18 2.91 2.12 -0.39 -1.48 118.70 125.32 1ua3 s GLU 233 Ca 0.08 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.75 1ua3 s GLU 233 Cb -0.12 -4.27 0.03 0.00 0.26 0.00 0.00 34.13 30.03 1ua3 s GLU 233 CO 0.01 -2.39 -0.14 0.08 -0.54 0.00 0.00 175.26 172.28 1ua3 s VAL 234 N 7.46 1.72 -0.57 3.70 1.01 -1.26 -1.15 120.40 131.32 1ua3 s VAL 234 Ca 0.55 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1ua3 s VAL 234 Cb -0.11 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ua3 s VAL 234 CO 0.20 0.34 1.01 -0.63 0.00 0.00 0.00 175.10 176.01 1ua3 s ILE 235 N 1.39 4.28 -0.33 2.22 1.01 -1.26 -4.61 121.20 123.91 1ua3 s ILE 235 Ca 0.02 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 1ua3 s ILE 235 Cb -0.15 -4.60 0.11 0.00 0.01 0.00 0.00 42.46 37.84 1ua3 s ILE 235 CO -0.10 -1.19 0.14 -0.62 0.00 0.00 0.00 174.94 173.17 1ua3 s ASP 236 N 2.91 3.74 -0.03 3.58 2.15 -1.26 -4.96 116.67 122.80 1ua3 s ASP 236 Ca 0.33 -1.76 0.11 0.00 0.43 0.00 0.00 52.55 51.66 1ua3 s ASP 236 Cb -0.11 -0.71 0.38 0.00 -0.30 0.00 0.00 42.92 42.17 1ua3 s ASP 236 CO 0.20 -0.39 1.27 0.18 -0.17 0.00 0.00 175.17 176.27 1ua3 n LEU 237 N 4.66 2.48 0.00 -1.34 4.77 -1.26 -4.48 117.00 121.83 1ua3 n LEU 237 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1ua3 n LEU 237 Cb 0.40 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ua3 n LEU 237 CO 0.12 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1ua3 n GLY 238 N 0.97 0.73 3.27 -0.72 0.00 -1.26 -4.99 105.19 103.19 1ua3 n GLY 238 Ca 0.14 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 1ua3 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua3 n GLY 239 N 0.76 -0.43 3.34 -0.02 0.00 -1.26 -5.00 105.19 102.57 1ua3 n GLY 239 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1ua3 n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ua3 s GLU 240 N -6.03 1.43 0.10 1.61 2.02 -1.26 -5.08 118.70 111.50 1ua3 s GLU 240 Ca 0.46 -1.60 -0.14 0.00 0.02 0.00 0.00 54.97 53.71 1ua3 s GLU 240 Cb -0.20 0.35 -0.10 0.00 0.10 0.00 0.00 34.13 34.28 1ua3 s GLU 240 CO 0.57 -0.53 1.39 0.00 0.02 0.00 0.00 175.26 176.72 1ua3 h ALA 241 N 2.41 0.41 -2.98 5.21 0.00 -1.88 -3.41 119.26 119.03 1ua3 h ALA 241 Ca -0.31 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 53.57 1ua3 h ALA 241 Cb 1.25 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1ua3 h ALA 241 CO 0.45 0.50 -0.20 0.42 0.00 0.00 0.00 179.25 180.42 1ua3 s ILE 242 N -4.22 5.23 0.02 0.00 1.01 -1.26 -5.01 121.20 116.97 1ua3 s ILE 242 Ca -0.12 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.39 1ua3 s ILE 242 Cb 0.09 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1ua3 s ILE 242 CO 0.85 0.34 -0.09 -0.54 0.00 0.00 0.00 174.94 175.50 1ua3 s LYS 243 N 0.61 2.44 0.31 2.79 1.02 -1.26 -4.89 119.74 120.75 1ua3 s LYS 243 Ca 0.23 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.50 1ua3 s LYS 243 Cb -0.14 -2.43 0.84 0.00 -0.52 0.00 0.00 37.83 35.57 1ua3 s LYS 243 CO 0.08 0.58 1.69 0.77 -0.92 0.00 0.00 175.35 177.55 1ua3 h SER 244 N 4.44 0.40 0.19 2.83 0.02 -1.93 -1.87 113.55 117.63 1ua3 h SER 244 Ca -0.48 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1ua3 h SER 244 Cb 1.17 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1ua3 h SER 244 CO 0.53 -0.03 -0.04 0.77 -1.14 0.00 0.00 176.83 176.92 1ua3 h SER 245 N 0.40 0.00 0.00 3.07 4.64 -2.01 -0.60 113.55 119.05 1ua3 h SER 245 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1ua3 h SER 245 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ua3 h SER 245 CO -0.55 0.04 0.12 -0.33 -0.87 0.00 0.00 176.83 175.23 1ua3 h GLU 246 N 0.00 0.00 -0.09 4.77 5.08 -1.76 -2.50 114.58 120.08 1ua3 h GLU 246 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ua3 h GLU 246 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ua3 h GLU 246 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1ua3 n TYR 247 N -2.95 0.10 0.27 4.33 4.01 -0.23 -4.60 117.16 118.10 1ua3 n TYR 247 Ca -0.03 -0.09 0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1ua3 n TYR 247 Cb 0.18 -0.00 0.74 0.00 -0.31 0.00 0.00 39.34 39.94 1ua3 n TYR 247 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1ua3 h PHE 248 N 2.53 0.00 0.00 -0.72 0.04 -1.55 -1.86 116.94 115.38 1ua3 h PHE 248 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ua3 h PHE 248 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1ua3 h PHE 248 CO 0.05 0.01 0.00 0.78 -0.60 0.00 0.00 178.31 178.56 1ua3 h GLY 249 N 0.06 0.00 0.34 -1.45 0.00 -1.81 -3.20 103.07 97.00 1ua3 h GLY 249 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1ua3 h GLY 249 CO 0.00 0.00 -1.77 0.70 0.00 0.00 0.00 176.54 175.47 1ua3 n ASN 250 N -2.81 0.29 0.00 0.19 3.02 -0.70 -5.08 115.26 110.17 1ua3 n ASN 250 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1ua3 n ASN 250 Cb 0.24 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.69 1ua3 n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ua3 n GLY 251 N 1.34 -0.48 3.72 7.41 0.00 -1.21 -4.86 105.19 111.11 1ua3 n GLY 251 Ca -0.08 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1ua3 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ua3 s ARG 252 N -2.00 1.05 0.02 1.61 0.52 0.26 -4.46 118.95 115.96 1ua3 s ARG 252 Ca 0.00 0.66 0.03 0.00 -0.52 0.00 0.00 55.73 55.91 1ua3 s ARG 252 Cb 0.00 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 1ua3 s ARG 252 CO 0.00 -2.34 -0.10 0.08 0.02 0.00 0.00 175.30 172.96 1ua3 s VAL 253 N -2.99 0.79 0.09 3.52 1.01 0.55 -1.24 120.40 122.13 1ua3 s VAL 253 Ca 0.64 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 61.61 1ua3 s VAL 253 Cb -0.18 -0.71 -0.11 0.00 0.00 0.00 0.00 36.38 35.38 1ua3 s VAL 253 CO 0.57 0.04 1.84 0.35 0.00 0.00 0.00 175.10 177.89 1ua3 n THR 254 N 2.32 0.42 -3.20 3.92 -2.24 -0.55 -1.29 114.28 113.66 1ua3 n THR 254 Ca -0.16 -0.07 -0.46 0.00 -2.27 0.00 0.00 64.05 61.08 1ua3 n THR 254 Cb 0.56 -2.06 -0.02 0.00 -2.10 0.00 0.00 70.33 66.71 1ua3 n THR 254 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ua3 s GLU 255 N 2.98 3.68 0.34 -0.78 2.56 -0.43 -4.56 118.70 122.50 1ua3 s GLU 255 Ca 0.84 -2.33 0.27 0.00 0.00 0.00 0.00 54.97 53.74 1ua3 s GLU 255 Cb -0.52 -4.61 0.97 0.00 2.00 0.00 0.00 34.13 31.97 1ua3 s GLU 255 CO 0.40 -1.44 1.78 0.74 -0.56 0.00 0.00 175.26 176.18 1ua3 h PHE 256 N 7.96 0.00 -0.21 5.30 0.04 -1.84 -1.83 116.94 126.35 1ua3 h PHE 256 Ca 0.14 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.95 1ua3 h PHE 256 Cb 1.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1ua3 h PHE 256 CO 1.06 0.00 0.15 0.87 -0.60 0.00 0.00 178.31 179.78 1ua3 h LYS 257 N 0.00 0.07 0.79 1.51 1.57 -1.89 -3.02 116.57 115.60 1ua3 h LYS 257 Ca 0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ua3 h LYS 257 Cb 0.56 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ua3 h LYS 257 CO 0.00 0.05 -0.38 -0.92 -0.57 0.00 0.00 179.45 177.63 1ua3 h TYR 258 N 0.08 -0.98 -0.07 -1.35 5.03 -1.66 -0.00 116.97 118.01 1ua3 h TYR 258 Ca 0.10 -0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.22 1ua3 h TYR 258 Cb 0.29 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 1ua3 h TYR 258 CO -0.00 -0.61 -0.66 0.78 -1.32 0.00 0.00 178.16 176.35 1ua3 h GLY 259 N -1.07 0.33 0.87 1.82 0.00 -1.59 -1.70 103.07 101.74 1ua3 h GLY 259 Ca -0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1ua3 h GLY 259 CO 0.18 0.40 -0.01 0.00 0.00 0.00 0.00 176.54 177.11 1ua3 h ALA 260 N 1.08 -0.02 -0.42 3.60 0.00 -1.42 -0.16 119.26 121.92 1ua3 h ALA 260 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1ua3 h ALA 260 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ua3 h ALA 260 CO 0.11 -0.45 -0.15 0.87 0.00 0.00 0.00 179.25 179.63 1ua3 h LYS 261 N -0.15 0.84 -0.32 0.00 1.79 -0.99 -2.61 116.57 115.13 1ua3 h LYS 261 Ca -0.00 -0.34 -0.14 0.00 -2.18 0.00 0.00 60.65 57.98 1ua3 h LYS 261 Cb 0.14 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ua3 h LYS 261 CO 0.00 0.98 -0.35 1.25 -1.08 0.00 0.00 179.45 180.25 1ua3 h LEU 262 N 0.66 0.86 -0.53 2.94 5.85 -1.23 -1.19 115.31 122.66 1ua3 h LEU 262 Ca 0.10 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1ua3 h LEU 262 Cb 0.69 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1ua3 h LEU 262 CO 0.05 1.16 0.28 1.23 -0.34 0.00 0.00 178.44 180.82 1ua3 h GLY 263 N 0.57 0.76 1.01 3.75 0.00 -1.05 0.32 103.07 108.43 1ua3 h GLY 263 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1ua3 h GLY 263 CO 0.09 0.13 0.38 -0.84 0.00 0.00 0.00 176.54 176.30 1ua3 h THR 264 N 0.54 1.22 -0.02 4.70 2.02 -1.12 -0.75 112.91 119.51 1ua3 h THR 264 Ca 0.23 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ua3 h THR 264 Cb 0.13 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1ua3 h THR 264 CO -0.15 0.25 0.01 0.58 0.37 0.00 0.00 175.52 176.57 1ua3 h VAL 265 N 0.99 1.15 0.00 3.16 2.07 -0.83 -0.29 116.25 122.50 1ua3 h VAL 265 Ca 0.25 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1ua3 h VAL 265 Cb 0.05 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1ua3 h VAL 265 CO -0.04 0.12 -0.55 0.58 0.02 0.00 0.00 177.57 177.70 1ua3 h VAL 266 N -0.16 1.30 0.00 2.57 2.07 -0.81 0.46 116.25 121.68 1ua3 h VAL 266 Ca 0.01 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1ua3 h VAL 266 Cb 0.19 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1ua3 h VAL 266 CO -0.00 0.54 0.00 0.54 0.02 0.00 0.00 177.57 178.67 1ua3 n ARG 267 N -3.75 0.08 -3.65 1.57 1.74 -0.30 -4.93 116.66 107.42 1ua3 n ARG 267 Ca -0.01 0.24 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1ua3 n ARG 267 Cb 0.58 -1.63 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 1ua3 n ARG 267 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ua3 n LYS 268 N -1.78 -5.91 -3.48 5.56 5.02 0.15 -5.01 118.16 112.71 1ua3 n LYS 268 Ca 0.04 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.80 1ua3 n LYS 268 Cb 0.25 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.73 1ua3 n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ua3 s TRP 269 N -3.48 3.49 -1.88 2.13 0.51 -0.18 -4.51 118.94 115.02 1ua3 s TRP 269 Ca 0.19 0.32 0.00 0.00 -2.12 0.00 0.00 56.10 54.49 1ua3 s TRP 269 Cb -0.09 -1.86 0.00 0.00 -0.81 0.00 0.00 33.47 30.71 1ua3 s TRP 269 CO 0.78 0.19 0.00 0.43 -0.51 0.00 0.00 176.95 177.84 1ua3 n SER 270 N -1.59 -5.62 0.00 2.95 7.64 -1.26 -0.75 113.62 115.00 1ua3 n SER 270 Ca -0.05 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ua3 n SER 270 Cb 0.56 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1ua3 n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ua3 n GLY 271 N -0.78 0.84 3.78 0.23 0.00 -1.26 -5.01 105.19 102.99 1ua3 n GLY 271 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1ua3 n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ua3 s GLU 272 N -0.07 4.34 0.05 1.61 0.41 0.07 -5.06 118.70 120.06 1ua3 s GLU 272 Ca 0.00 1.42 0.03 0.00 -0.41 0.00 0.00 54.97 56.01 1ua3 s GLU 272 Cb 0.00 -2.63 -0.03 0.00 -1.78 0.00 0.00 34.13 29.70 1ua3 s GLU 272 CO 0.00 0.04 -0.10 0.15 -0.49 0.00 0.00 175.26 174.85 1ua3 s LYS 273 N -2.36 0.65 0.52 1.61 1.02 -1.26 -4.42 119.74 115.50 1ua3 s LYS 273 Ca 0.55 -0.84 0.19 0.00 0.02 0.00 0.00 55.97 55.89 1ua3 s LYS 273 Cb -0.20 -0.52 1.34 0.00 -0.52 0.00 0.00 37.83 37.93 1ua3 s LYS 273 CO 0.25 0.11 2.13 1.98 -0.92 0.00 0.00 175.35 178.90 1ua3 h MET 274 N 4.40 0.00 0.00 1.68 4.05 -1.78 -0.70 114.93 122.58 1ua3 h MET 274 Ca -0.38 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1ua3 h MET 274 Cb 1.20 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1ua3 h MET 274 CO 0.41 0.06 -0.01 0.66 0.23 0.00 0.00 176.91 178.25 1ua3 h SER 275 N 0.00 0.00 0.63 1.39 4.64 -1.59 -0.39 113.55 118.22 1ua3 h SER 275 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ua3 h SER 275 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ua3 h SER 275 CO 0.01 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1ua3 n TYR 276 N -3.14 0.81 1.77 4.77 0.53 -0.27 -3.21 117.16 118.43 1ua3 n TYR 276 Ca -0.02 0.33 0.09 0.00 -1.02 0.00 0.00 57.90 57.29 1ua3 n TYR 276 Cb 0.14 -1.04 0.55 0.00 -1.03 0.00 0.00 39.34 37.97 1ua3 n TYR 276 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1ua3 n LEU 277 N -2.25 0.00 -0.32 7.72 4.77 -0.16 -4.02 117.00 122.74 1ua3 n LEU 277 Ca 0.02 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1ua3 n LEU 277 Cb 0.20 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.57 1ua3 n LEU 277 CO 0.18 0.00 1.23 0.50 -1.33 0.00 0.00 177.39 177.98 1ua3 h LYS 278 N 0.00 0.90 -0.71 3.23 3.64 -1.76 -0.72 116.57 121.15 1ua3 h LYS 278 Ca 0.00 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 58.96 1ua3 h LYS 278 Cb 0.00 -0.20 -0.22 0.00 -0.41 0.00 0.00 32.23 31.40 1ua3 h LYS 278 CO 0.00 0.60 0.33 0.27 -2.27 0.00 0.00 179.45 178.37 1ua3 n ASN 279 N -4.57 3.18 -4.56 4.20 2.04 -1.26 -5.02 115.26 109.27 1ua3 n ASN 279 Ca 0.17 -3.69 -0.45 0.00 -0.44 0.00 0.00 54.58 50.17 1ua3 n ASN 279 Cb 0.35 -0.75 -0.02 0.00 -2.53 0.00 0.00 39.78 36.83 1ua3 n ASN 279 CO 0.00 0.00 0.00 1.87 -0.44 0.00 0.00 177.26 178.69 1ua3 n TRP 280 N -1.13 0.98 0.00 -2.53 -0.00 -0.28 -3.20 117.44 111.28 1ua3 n TRP 280 Ca 0.48 0.75 0.00 0.00 -0.00 0.00 0.00 57.50 58.73 1ua3 n TRP 280 Cb 1.39 -2.20 0.00 0.00 -0.00 0.00 0.00 31.31 30.50 1ua3 n TRP 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ua3 n GLY 281 N 1.38 0.29 0.28 5.87 0.00 -1.26 -4.58 105.19 107.16 1ua3 n GLY 281 Ca 0.11 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.53 1ua3 n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ua3 h GLU 282 N 0.00 0.00 0.00 1.61 5.08 -1.80 -0.02 114.58 119.46 1ua3 h GLU 282 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ua3 h GLU 282 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ua3 h GLU 282 CO 0.00 0.01 -0.02 0.78 -1.00 0.00 0.00 179.01 178.78 1ua3 h GLY 283 N 0.06 0.00 -2.00 -3.84 0.00 -1.79 0.14 103.07 95.63 1ua3 h GLY 283 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ua3 h GLY 283 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1ua3 n TRP 284 N -3.44 0.72 -0.66 5.60 7.02 -0.03 -4.91 117.44 121.75 1ua3 n TRP 284 Ca -0.03 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 1ua3 n TRP 284 Cb 0.12 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1ua3 n TRP 284 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ua3 n GLY 285 N 1.37 0.62 3.83 6.99 0.00 0.48 -5.00 105.19 113.48 1ua3 n GLY 285 Ca 0.18 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1ua3 n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ua3 s PHE 286 N -2.00 3.06 1.05 1.61 2.99 -1.17 -5.00 117.98 118.51 1ua3 s PHE 286 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 56.93 58.00 1ua3 s PHE 286 Cb 0.00 -3.04 0.22 0.00 0.00 0.00 0.00 43.02 40.20 1ua3 s PHE 286 CO 0.00 -1.45 1.08 0.00 -0.00 0.00 0.00 175.22 174.84 1ua3 s MET 287 N -5.19 -0.06 0.42 0.44 0.23 -1.26 -4.51 119.30 109.37 1ua3 s MET 287 Ca 0.59 1.15 -0.26 0.00 -1.03 0.00 0.00 55.69 56.15 1ua3 s MET 287 Cb -0.13 -1.63 -0.10 0.00 -1.53 0.00 0.00 34.83 31.44 1ua3 s MET 287 CO 0.54 -3.24 1.30 -2.30 -2.03 0.00 0.00 175.02 169.29 1ua3 n PRO 288 N -4.61 2.01 -0.33 3.16 -0.02 -1.26 -4.62 135.00 129.34 1ua3 n PRO 288 Ca 0.07 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 1ua3 n PRO 288 Cb 0.53 -2.42 0.28 0.00 -0.02 0.00 0.00 33.50 31.88 1ua3 n PRO 288 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ua3 h SER 289 N 2.18 0.66 0.00 2.55 0.87 -1.95 0.26 113.55 118.13 1ua3 h SER 289 Ca -0.48 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ua3 h SER 289 Cb 1.29 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1ua3 h SER 289 CO 0.60 0.24 0.00 -0.90 -0.53 0.00 0.00 176.83 176.25 1ua3 n ASP 290 N -4.82 0.00 -0.19 6.23 3.85 -1.26 -1.85 116.55 118.50 1ua3 n ASP 290 Ca 0.21 -1.47 0.05 0.00 -0.71 0.00 0.00 54.79 52.87 1ua3 n ASP 290 Cb 0.52 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.28 1ua3 n ASP 290 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ua3 n ARG 291 N -0.74 2.38 -3.72 0.11 5.12 0.06 -4.89 116.66 114.98 1ua3 n ARG 291 Ca 0.11 -0.50 -0.36 0.00 -1.93 0.00 0.00 57.85 55.17 1ua3 n ARG 291 Cb 0.05 -1.07 -0.07 0.00 -1.16 0.00 0.00 32.46 30.21 1ua3 n ARG 291 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ua3 s ALA 292 N -1.47 3.71 -0.26 7.54 0.00 -0.77 -0.33 121.76 130.18 1ua3 s ALA 292 Ca 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1ua3 s ALA 292 Cb 0.08 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1ua3 s ALA 292 CO 0.28 0.26 0.14 -1.17 0.00 0.00 0.00 175.76 175.26 1ua3 s LEU 293 N 0.04 3.78 0.27 0.00 1.98 -0.41 -1.41 118.68 122.92 1ua3 s LEU 293 Ca 0.12 -0.09 0.11 0.00 -2.89 0.00 0.00 54.13 51.38 1ua3 s LEU 293 Cb -0.12 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.65 1ua3 s LEU 293 CO 0.01 -0.04 -0.14 0.68 -1.89 0.00 0.00 176.35 174.97 1ua3 s VAL 294 N 1.66 2.76 -0.15 1.68 -7.23 -0.11 -1.31 120.40 117.70 1ua3 s VAL 294 Ca 0.07 -2.23 -0.31 0.00 -1.81 0.00 0.00 61.98 57.69 1ua3 s VAL 294 Cb -0.16 -2.45 0.13 0.00 0.56 0.00 0.00 36.38 34.47 1ua3 s VAL 294 CO 0.08 -0.37 1.08 0.72 -0.31 0.00 0.00 175.10 176.30 1ua3 s PHE 295 N -2.39 -0.25 -0.16 2.82 -0.12 -1.26 -0.84 117.98 115.78 1ua3 s PHE 295 Ca 0.30 0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 57.23 1ua3 s PHE 295 Cb -0.06 0.50 -0.20 0.00 -0.63 0.00 0.00 43.02 42.63 1ua3 s PHE 295 CO 0.16 -0.31 0.46 0.28 -0.05 0.00 0.00 175.22 175.76 1ua3 h VAL 296 N 2.18 1.24 -3.18 -2.49 2.07 -1.94 -3.23 116.25 110.90 1ua3 h VAL 296 Ca -0.15 -2.11 -0.38 0.00 0.82 0.00 0.00 66.70 64.88 1ua3 h VAL 296 Cb 1.19 2.53 -0.14 0.00 -1.52 0.00 0.00 31.29 33.34 1ua3 h VAL 296 CO 0.27 0.42 -0.71 1.51 0.02 0.00 0.00 177.57 179.09 1ua3 s ASP 297 N -6.37 2.08 0.32 0.57 -4.77 -1.26 -4.48 116.67 102.76 1ua3 s ASP 297 Ca -0.21 -1.06 0.02 0.00 -3.30 0.00 0.00 52.55 48.00 1ua3 s ASP 297 Cb 0.01 -0.05 -0.01 0.00 -1.09 0.00 0.00 42.92 41.78 1ua3 s ASP 297 CO 0.58 -0.32 0.06 -0.46 0.70 0.00 0.00 175.17 175.72 1ua3 n ASN 298 N -0.31 1.99 0.19 2.11 6.94 -1.26 -4.63 115.26 120.28 1ua3 n ASN 298 Ca -0.08 -2.53 0.03 0.00 -0.02 0.00 0.00 54.58 51.97 1ua3 n ASN 298 Cb 0.61 0.50 0.37 0.00 -2.36 0.00 0.00 39.78 38.90 1ua3 n ASN 298 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1ua3 h HIS 299 N 1.34 0.00 0.46 -2.53 2.07 -2.00 -2.01 115.15 112.48 1ua3 h HIS 299 Ca -0.25 -0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.24 1ua3 h HIS 299 Cb 0.86 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 1ua3 h HIS 299 CO 0.00 0.36 -0.22 -0.44 -3.07 0.00 0.00 177.93 174.56 1ua3 h ASP 300 N 0.00 -0.53 0.50 3.10 3.45 -2.02 -3.39 116.42 117.53 1ua3 h ASP 300 Ca -0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1ua3 h ASP 300 Cb 0.64 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1ua3 h ASP 300 CO 0.05 -0.11 -0.17 -0.46 -1.57 0.00 0.00 179.24 176.97 1ua3 n ASN 301 N -5.16 0.42 0.03 6.45 0.23 -1.13 -2.34 115.26 113.76 1ua3 n ASN 301 Ca -0.08 -0.33 0.07 0.00 -0.53 0.00 0.00 54.58 53.71 1ua3 n ASN 301 Cb 0.25 -0.08 0.29 0.00 -2.08 0.00 0.00 39.78 38.16 1ua3 n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ua3 n GLN 302 N -1.14 0.04 0.00 -3.83 10.64 -0.77 -2.00 117.38 120.31 1ua3 n GLN 302 Ca 0.11 0.34 0.10 0.00 -1.83 0.00 0.00 57.00 55.72 1ua3 n GLN 302 Cb 0.30 -1.57 -0.06 0.00 -0.86 0.00 0.00 30.24 28.05 1ua3 n GLN 302 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ua3 n ARG 303 N -1.64 0.04 0.00 2.61 1.74 -0.99 -4.98 116.66 113.44 1ua3 n ARG 303 Ca 0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1ua3 n ARG 303 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1ua3 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ua3 n GLY 304 N 1.48 0.85 2.44 -0.13 0.00 -0.85 -4.72 105.19 104.26 1ua3 n GLY 304 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1ua3 n GLY 304 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ua3 n HIS 305 N -1.05 2.34 -2.75 1.61 1.44 -1.26 -3.47 115.22 112.08 1ua3 n HIS 305 Ca 0.00 -2.56 0.00 0.00 -2.01 0.00 0.00 57.72 53.15 1ua3 n HIS 305 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 1ua3 n HIS 305 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ua3 n GLY 306 N -0.51 2.33 3.50 -1.39 0.00 -1.26 -4.89 105.19 102.98 1ua3 n GLY 306 Ca 0.29 -2.10 -0.58 0.00 0.00 0.00 0.00 46.02 43.62 1ua3 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua3 n ALA 307 N -3.00 0.13 0.00 4.61 0.00 -1.26 -0.18 120.51 120.81 1ua3 n ALA 307 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ua3 n ALA 307 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1ua3 n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ua3 n GLY 308 N 5.83 2.54 7.00 0.00 0.00 -1.26 -4.80 105.19 114.50 1ua3 n GLY 308 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1ua3 n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua3 n GLY 309 N -0.72 2.80 0.00 -0.02 0.00 0.75 -2.34 105.19 105.66 1ua3 n GLY 309 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1ua3 n GLY 309 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ua3 n SER 310 N 1.47 0.00 0.22 1.61 3.41 -1.23 -2.91 113.62 116.19 1ua3 n SER 310 Ca 0.00 0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.82 1ua3 n SER 310 Cb 0.00 -0.37 0.43 0.00 -0.26 0.00 0.00 64.21 64.01 1ua3 n SER 310 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ua3 h SER 311 N 0.00 0.00 -2.42 4.04 4.64 -1.82 -3.44 113.55 114.55 1ua3 h SER 311 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1ua3 h SER 311 Cb 0.36 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.50 1ua3 h SER 311 CO 0.00 0.24 0.99 -0.38 -0.87 0.00 0.00 176.83 176.81 1ua3 n ILE 312 N -3.38 0.18 -3.32 0.95 2.08 -1.15 -4.04 119.36 110.69 1ua3 n ILE 312 Ca 0.00 -0.03 -0.37 0.00 0.56 0.00 0.00 62.75 62.91 1ua3 n ILE 312 Cb 0.45 -1.89 -0.06 0.00 -0.75 0.00 0.00 39.64 37.39 1ua3 n ILE 312 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1ua3 s LEU 313 N 1.92 4.41 0.28 1.39 1.43 -1.26 -5.02 118.68 121.83 1ua3 s LEU 313 Ca 0.80 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1ua3 s LEU 313 Cb -0.57 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1ua3 s LEU 313 CO 0.38 0.16 0.28 0.42 0.23 0.00 0.00 176.35 177.82 1ua3 s THR 314 N -1.34 0.00 0.64 5.49 -4.23 -1.26 -4.27 115.64 110.68 1ua3 s THR 314 Ca 0.35 -1.89 0.34 0.00 -1.18 0.00 0.00 61.69 59.31 1ua3 s THR 314 Cb -0.17 -2.50 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1ua3 s THR 314 CO 0.19 0.00 2.10 2.19 -0.54 0.00 0.00 174.62 178.56 1ua3 h PHE 315 N 2.31 0.00 0.00 3.99 -0.00 -1.96 0.17 116.94 121.45 1ua3 h PHE 315 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.65 1ua3 h PHE 315 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1ua3 h PHE 315 CO 1.12 0.00 -0.15 -1.49 -0.00 0.00 0.00 178.31 177.79 1ua3 h TRP 316 N 0.00 0.00 -2.27 6.09 4.06 -1.97 -3.05 115.95 118.81 1ua3 h TRP 316 Ca 0.03 0.00 -0.70 0.00 2.06 0.00 0.00 58.89 60.28 1ua3 h TRP 316 Cb 0.45 0.00 -0.35 0.00 -1.00 0.00 0.00 29.16 28.26 1ua3 h TRP 316 CO 0.00 0.15 0.20 -0.25 -3.56 0.00 0.00 178.44 174.97 1ua3 n ASP 317 N -4.13 5.92 -0.26 -3.49 8.00 0.61 -4.94 116.55 118.26 1ua3 n ASP 317 Ca -0.02 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1ua3 n ASP 317 Cb 0.22 -0.86 0.12 0.00 -0.02 0.00 0.00 41.12 40.58 1ua3 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ua3 h ALA 318 N 3.60 1.03 0.32 2.24 0.00 -1.65 0.57 119.26 125.37 1ua3 h ALA 318 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ua3 h ALA 318 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ua3 h ALA 318 CO 1.00 0.11 -0.16 -0.09 0.00 0.00 0.00 179.25 180.12 1ua3 h ARG 319 N 0.78 -0.42 -0.18 0.00 2.43 -1.90 -0.78 114.38 114.31 1ua3 h ARG 319 Ca 0.34 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1ua3 h ARG 319 Cb 0.23 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1ua3 h ARG 319 CO -0.20 -0.18 -0.30 -0.07 -1.51 0.00 0.00 179.97 177.71 1ua3 h LEU 320 N -0.60 0.35 -0.51 3.80 4.07 -1.86 -2.97 115.31 117.59 1ua3 h LEU 320 Ca -0.04 -0.13 0.03 0.00 0.08 0.00 0.00 57.88 57.82 1ua3 h LEU 320 Cb 0.43 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1ua3 h LEU 320 CO 0.07 0.65 0.30 0.22 -1.08 0.00 0.00 178.44 178.60 1ua3 h TYR 321 N 0.31 0.56 -0.30 1.13 3.20 -0.56 -0.93 116.97 120.37 1ua3 h TYR 321 Ca 0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1ua3 h TYR 321 Cb 0.69 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1ua3 h TYR 321 CO 0.02 0.31 -0.11 0.87 -1.64 0.00 0.00 178.16 177.61 1ua3 h LYS 322 N 0.59 0.50 -0.21 1.82 1.57 -1.02 -0.02 116.57 119.79 1ua3 h LYS 322 Ca 0.21 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ua3 h LYS 322 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1ua3 h LYS 322 CO -0.10 0.61 0.11 0.82 -0.57 0.00 0.00 179.45 180.32 1ua3 h ILE 323 N 0.47 1.12 -0.38 1.86 2.04 -1.27 0.76 117.51 122.10 1ua3 h ILE 323 Ca 0.09 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1ua3 h ILE 323 Cb 0.48 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1ua3 h ILE 323 CO 0.03 0.12 0.09 0.00 0.00 0.00 0.00 178.15 178.38 1ua3 h ALA 324 N 0.98 0.50 -0.48 1.87 0.00 -0.77 -0.30 119.26 121.07 1ua3 h ALA 324 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1ua3 h ALA 324 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ua3 h ALA 324 CO -0.01 0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.61 1ua3 h VAL 325 N 0.47 1.26 -0.25 0.00 2.07 -0.99 -0.91 116.25 117.90 1ua3 h VAL 325 Ca 0.12 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1ua3 h VAL 325 Cb 0.32 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1ua3 h VAL 325 CO 0.00 0.41 0.12 1.23 0.02 0.00 0.00 177.57 179.36 1ua3 h GLY 326 N 0.97 0.38 0.76 2.17 0.00 -0.59 -0.53 103.07 106.24 1ua3 h GLY 326 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1ua3 h GLY 326 CO 0.04 0.18 0.15 -2.75 0.00 0.00 0.00 176.54 174.16 1ua3 h PHE 327 N 0.28 0.28 -0.30 5.60 3.57 -0.78 -1.56 116.94 124.02 1ua3 h PHE 327 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1ua3 h PHE 327 Cb 0.11 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1ua3 h PHE 327 CO -0.02 0.14 0.14 1.98 -2.23 0.00 0.00 178.31 178.31 1ua3 h MET 328 N 0.32 0.29 0.00 1.11 4.05 -0.93 -1.37 114.93 118.40 1ua3 h MET 328 Ca 0.16 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1ua3 h MET 328 Cb 0.10 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1ua3 h MET 328 CO -0.14 0.19 -0.06 -0.07 0.23 0.00 0.00 176.91 177.06 1ua3 h LEU 329 N 0.30 0.00 0.05 3.39 3.38 -0.86 -2.80 115.31 118.77 1ua3 h LEU 329 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 1ua3 h LEU 329 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ua3 h LEU 329 CO -0.10 0.06 -1.34 0.00 0.09 0.00 0.00 178.44 177.16 1ua3 h ALA 330 N 1.94 0.37 -2.68 1.53 0.00 -0.93 -3.38 119.26 116.11 1ua3 h ALA 330 Ca -0.00 -1.08 -0.51 0.00 0.00 0.00 0.00 54.91 53.32 1ua3 h ALA 330 Cb 0.68 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ua3 h ALA 330 CO 0.01 1.24 0.29 -1.58 0.00 0.00 0.00 179.25 179.21 1ua3 s HIS 331 N -2.65 3.89 -0.52 0.00 5.65 -0.55 -4.91 115.29 116.21 1ua3 s HIS 331 Ca -0.04 1.77 0.23 0.00 0.25 0.00 0.00 55.06 57.27 1ua3 s HIS 331 Cb 0.08 -2.94 0.95 0.00 -1.18 0.00 0.00 32.58 29.50 1ua3 s HIS 331 CO 0.84 0.38 1.69 -0.35 -0.65 0.00 0.00 174.74 176.65 1ua3 n PRO 332 N 2.04 0.18 -2.20 2.88 -0.04 -1.26 -4.82 135.00 131.78 1ua3 n PRO 332 Ca -0.02 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.44 1ua3 n PRO 332 Cb 0.48 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1ua3 n PRO 332 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ua3 s TYR 333 N -3.30 3.26 0.00 0.54 5.04 -1.26 -4.87 117.35 116.76 1ua3 s TYR 333 Ca 0.04 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1ua3 s TYR 333 Cb 0.09 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1ua3 s TYR 333 CO 0.38 -2.16 0.00 0.41 -1.34 0.00 0.00 175.55 172.84 1ua3 n GLY 334 N 3.10 -1.95 3.71 8.97 0.00 -1.25 -4.86 105.19 112.91 1ua3 n GLY 334 Ca 0.10 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1ua3 n GLY 334 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ua3 s PHE 335 N -2.31 3.37 -0.15 1.61 5.36 -0.50 -4.92 117.98 120.44 1ua3 s PHE 335 Ca 0.00 0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 56.12 1ua3 s PHE 335 Cb 0.00 -2.14 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1ua3 s PHE 335 CO 0.00 0.25 0.23 0.95 -1.46 0.00 0.00 175.22 175.19 1ua3 s THR 336 N 0.38 5.34 -0.13 0.12 -4.23 -1.26 -0.94 115.64 114.93 1ua3 s THR 336 Ca 0.07 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1ua3 s THR 336 Cb -0.11 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 1ua3 s THR 336 CO -0.01 0.46 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.76 1ua3 s ARG 337 N 0.07 3.25 -0.14 3.99 3.52 -0.02 -2.12 118.95 127.50 1ua3 s ARG 337 Ca 0.14 -0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 54.91 1ua3 s ARG 337 Cb -0.13 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1ua3 s ARG 337 CO 0.03 0.14 0.14 0.08 -0.81 0.00 0.00 175.30 174.88 1ua3 s VAL 338 N 0.51 5.48 0.23 7.11 1.01 0.50 -4.45 120.40 130.79 1ua3 s VAL 338 Ca -0.11 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1ua3 s VAL 338 Cb -0.16 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1ua3 s VAL 338 CO 0.05 0.57 0.71 -0.32 0.00 0.00 0.00 175.10 176.10 1ua3 s MET 339 N -0.64 4.18 -0.04 2.72 1.75 -1.26 -0.77 119.30 125.25 1ua3 s MET 339 Ca 0.13 0.80 -0.01 0.00 -1.25 0.00 0.00 55.69 55.36 1ua3 s MET 339 Cb -0.12 -2.81 0.03 0.00 2.84 0.00 0.00 34.83 34.77 1ua3 s MET 339 CO 0.02 0.36 0.03 0.45 -0.65 0.00 0.00 175.02 175.24 1ua3 s SER 340 N -1.76 0.98 0.43 1.11 0.15 -0.73 -4.34 113.70 109.54 1ua3 s SER 340 Ca 0.44 0.02 0.05 0.00 0.70 0.00 0.00 55.95 57.17 1ua3 s SER 340 Cb -0.15 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1ua3 s SER 340 CO 0.20 -0.20 0.01 -0.44 1.20 0.00 0.00 173.24 174.02 1ua3 s SER 341 N 1.79 3.83 0.23 5.45 0.01 -1.26 -3.06 113.70 120.69 1ua3 s SER 341 Ca 0.01 -1.45 0.10 0.00 1.31 0.00 0.00 55.95 55.92 1ua3 s SER 341 Cb -0.12 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1ua3 s SER 341 CO -0.03 -0.57 -0.11 -0.72 0.41 0.00 0.00 173.24 172.22 1ua3 s TYR 342 N -2.80 2.54 0.34 2.43 -0.85 -1.26 -0.64 117.35 117.11 1ua3 s TYR 342 Ca 0.27 -0.26 -0.26 0.00 -0.52 0.00 0.00 57.07 56.30 1ua3 s TYR 342 Cb 0.08 -1.18 -0.09 0.00 0.38 0.00 0.00 41.96 41.14 1ua3 s TYR 342 CO 0.14 0.59 1.01 1.03 -1.52 0.00 0.00 175.55 176.79 1ua3 s ARG 343 N -3.19 4.43 0.14 -3.49 0.52 -0.21 -4.85 118.95 112.29 1ua3 s ARG 343 Ca 0.27 1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 56.95 1ua3 s ARG 343 Cb -0.07 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1ua3 s ARG 343 CO 0.16 0.11 0.08 1.67 0.02 0.00 0.00 175.30 177.33 1ua3 s TRP 344 N -1.55 0.84 -0.74 -0.53 -2.14 -1.26 -4.83 118.94 108.73 1ua3 s TRP 344 Ca 0.52 -1.21 -0.27 0.00 2.66 0.00 0.00 56.10 57.80 1ua3 s TRP 344 Cb -0.22 -0.45 0.03 0.00 -3.10 0.00 0.00 33.47 29.72 1ua3 s TRP 344 CO 0.28 -0.54 1.30 0.00 -2.66 0.00 0.00 176.95 175.33 1ua3 s ALA 345 N -4.05 2.73 0.54 2.67 0.00 -1.26 -5.00 121.76 117.39 1ua3 s ALA 345 Ca 0.24 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 1ua3 s ALA 345 Cb 0.07 -4.27 -0.05 0.00 0.00 0.00 0.00 23.12 18.87 1ua3 s ALA 345 CO 0.02 -3.31 1.19 1.03 0.00 0.00 0.00 175.76 174.69 1ua3 s ARG 346 N 5.77 3.30 -0.34 0.00 0.52 -1.26 -4.69 118.95 122.25 1ua3 s ARG 346 Ca 0.36 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.41 1ua3 s ARG 346 Cb -0.08 -2.11 0.16 0.00 0.52 0.00 0.00 34.95 33.44 1ua3 s ARG 346 CO 0.15 -0.94 0.42 1.21 0.02 0.00 0.00 175.30 176.16 1ua3 s ASN 347 N -1.50 0.55 -0.45 0.23 3.04 -1.26 -4.98 114.94 110.57 1ua3 s ASN 347 Ca 0.72 -0.93 -0.26 0.00 0.04 0.00 0.00 52.86 52.42 1ua3 s ASN 347 Cb -0.29 0.95 0.03 0.00 -1.54 0.00 0.00 41.25 40.39 1ua3 s ASN 347 CO 0.33 -0.30 0.97 -0.36 -3.04 0.00 0.00 177.10 174.70 1ua3 s PHE 348 N 2.01 2.93 -0.21 0.43 0.08 -1.26 -1.58 117.98 120.37 1ua3 s PHE 348 Ca 0.13 0.51 -0.09 0.00 0.12 0.00 0.00 56.93 57.60 1ua3 s PHE 348 Cb -0.13 -4.01 -0.05 0.00 -0.57 0.00 0.00 43.02 38.27 1ua3 s PHE 348 CO -0.17 -1.09 0.11 0.08 -0.10 0.00 0.00 175.22 174.05 1ua3 s VAL 349 N 3.85 5.10 -1.26 -0.44 1.01 0.79 -4.52 120.40 124.93 1ua3 s VAL 349 Ca 0.39 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1ua3 s VAL 349 Cb -0.10 -3.34 0.11 0.00 0.00 0.00 0.00 36.38 33.06 1ua3 s VAL 349 CO 0.26 0.41 0.46 0.59 0.00 0.00 0.00 175.10 176.82 1ua3 n ASN 350 N 3.87 -2.67 -0.75 3.32 4.13 -1.26 -0.07 115.26 121.84 1ua3 n ASN 350 Ca -0.16 -0.53 -0.10 0.00 1.68 0.00 0.00 54.58 55.47 1ua3 n ASN 350 Cb 0.52 -2.26 -0.04 0.00 -1.54 0.00 0.00 39.78 36.46 1ua3 n ASN 350 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ua3 n GLY 351 N -1.04 1.12 3.38 7.41 0.00 -1.26 -5.02 105.19 109.78 1ua3 n GLY 351 Ca 0.04 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1ua3 n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ua3 s GLU 352 N -2.83 2.94 -0.56 1.61 -6.30 0.90 -5.00 118.70 109.46 1ua3 s GLU 352 Ca 0.00 -0.73 -0.28 0.00 -2.50 0.00 0.00 54.97 51.46 1ua3 s GLU 352 Cb 0.00 -2.45 0.02 0.00 0.00 0.00 0.00 34.13 31.69 1ua3 s GLU 352 CO 0.00 0.38 1.36 0.34 0.02 0.00 0.00 175.26 177.35 1ua3 s ASP 353 N -0.10 6.22 0.00 -1.70 3.68 -1.26 -0.15 116.67 123.37 1ua3 s ASP 353 Ca -0.03 0.27 0.31 0.00 2.13 0.00 0.00 52.55 55.23 1ua3 s ASP 353 Cb -0.14 -2.55 1.63 0.00 -1.45 0.00 0.00 42.92 40.41 1ua3 s ASP 353 CO 0.04 -1.64 2.10 1.33 0.13 0.00 0.00 175.17 177.14 1ua3 n VAL 354 N 6.82 0.00 -0.66 1.11 0.24 -0.62 -2.16 118.33 123.06 1ua3 n VAL 354 Ca 0.12 -0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.51 1ua3 n VAL 354 Cb 0.49 -0.50 0.36 0.00 -1.47 0.00 0.00 33.84 32.73 1ua3 n VAL 354 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ua3 n ASN 355 N -1.20 4.85 0.00 -1.34 4.13 -1.26 -4.60 115.26 115.84 1ua3 n ASN 355 Ca 0.17 -2.51 0.10 0.00 1.68 0.00 0.00 54.58 54.02 1ua3 n ASN 355 Cb 0.21 -0.59 0.58 0.00 -1.54 0.00 0.00 39.78 38.43 1ua3 n ASN 355 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1ua3 n ASP 356 N 1.02 0.00 0.14 6.41 5.68 -0.92 -2.11 116.55 126.77 1ua3 n ASP 356 Ca 0.26 -0.44 0.12 0.00 -0.50 0.00 0.00 54.79 54.23 1ua3 n ASP 356 Cb 0.92 -0.09 0.13 0.00 -1.14 0.00 0.00 41.12 40.94 1ua3 n ASP 356 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1ua3 h TRP 357 N 0.00 0.00 -2.49 2.11 5.08 -1.85 -3.48 115.95 115.31 1ua3 h TRP 357 Ca 0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 1ua3 h TRP 357 Cb 0.06 0.00 0.06 0.00 -3.00 0.00 0.00 29.16 26.28 1ua3 h TRP 357 CO 0.00 0.00 0.81 -0.89 -1.28 0.00 0.00 178.44 177.08 1ua3 n ILE 358 N -2.70 0.25 -2.14 0.12 5.41 -0.90 -2.57 119.36 116.84 1ua3 n ILE 358 Ca 0.02 -0.06 -0.16 0.00 1.00 0.00 0.00 62.75 63.55 1ua3 n ILE 358 Cb 0.51 -1.64 0.10 0.00 -0.71 0.00 0.00 39.64 37.90 1ua3 n ILE 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ua3 n GLY 359 N 3.18 -0.09 3.57 7.39 0.00 -1.25 -4.33 105.19 113.67 1ua3 n GLY 359 Ca 0.15 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1ua3 n GLY 359 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ua3 n PRO 360 N -2.41 -1.01 -1.62 1.61 -0.04 -1.26 -4.87 135.00 125.40 1ua3 n PRO 360 Ca 0.11 -0.24 -0.49 0.00 -0.04 0.00 0.00 63.50 62.83 1ua3 n PRO 360 Cb 0.37 -2.23 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 1ua3 n PRO 360 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ua3 n PRO 361 N -4.05 1.52 -3.67 0.54 -0.02 -1.26 -4.90 135.00 123.16 1ua3 n PRO 361 Ca 0.09 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1ua3 n PRO 361 Cb 0.53 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 1ua3 n PRO 361 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ua3 s ASN 362 N 0.56 -0.35 -0.42 2.55 2.20 -1.26 -0.60 114.94 117.61 1ua3 s ASN 362 Ca 0.81 0.29 -0.12 0.00 -0.94 0.00 0.00 52.86 52.89 1ua3 s ASN 362 Cb -0.84 0.39 0.05 0.00 -2.00 0.00 0.00 41.25 38.86 1ua3 s ASN 362 CO 0.45 -0.52 0.29 0.20 -2.94 0.00 0.00 177.10 174.58 1ua3 s ASN 363 N -1.32 5.89 -1.53 3.54 -0.87 0.14 -4.66 114.94 116.13 1ua3 s ASN 363 Ca -0.12 -1.21 -0.14 0.00 -1.57 0.00 0.00 52.86 49.83 1ua3 s ASN 363 Cb -0.03 -2.08 0.08 0.00 -0.02 0.00 0.00 41.25 39.20 1ua3 s ASN 363 CO 0.06 -0.51 0.96 0.59 -2.57 0.00 0.00 177.10 175.62 1ua3 n ASN 364 N 5.06 -4.84 0.00 -1.22 4.13 -1.26 -1.36 115.26 115.77 1ua3 n ASN 364 Ca -0.11 -0.75 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1ua3 n ASN 364 Cb 0.45 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.82 1ua3 n ASN 364 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ua3 n GLY 365 N -1.67 0.59 3.62 7.41 0.00 -1.26 -5.03 105.19 108.85 1ua3 n GLY 365 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1ua3 n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua3 s VAL 366 N -2.19 5.01 0.25 1.61 1.01 -0.47 -5.02 120.40 120.61 1ua3 s VAL 366 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1ua3 s VAL 366 Cb 0.00 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1ua3 s VAL 366 CO 0.00 0.04 1.42 -0.63 0.00 0.00 0.00 175.10 175.93 1ua3 s ILE 367 N 2.44 2.71 0.42 2.22 1.01 -1.26 -0.68 121.20 128.07 1ua3 s ILE 367 Ca 0.24 0.61 -0.23 0.00 0.00 0.00 0.00 60.65 61.27 1ua3 s ILE 367 Cb -0.16 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 1ua3 s ILE 367 CO 0.09 0.10 1.08 -0.54 0.00 0.00 0.00 174.94 175.67 1ua3 s LYS 368 N -0.48 4.02 0.77 2.79 1.02 0.23 -4.85 119.74 123.23 1ua3 s LYS 368 Ca 0.58 1.56 -0.14 0.00 0.02 0.00 0.00 55.97 58.00 1ua3 s LYS 368 Cb -0.41 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1ua3 s LYS 368 CO 0.44 -0.28 1.19 -1.83 -0.92 0.00 0.00 175.35 173.95 1ua3 s GLU 369 N -2.63 1.88 -0.37 1.68 -1.05 -1.26 -4.87 118.70 112.08 1ua3 s GLU 369 Ca 0.60 1.71 -0.23 0.00 -0.15 0.00 0.00 54.97 56.90 1ua3 s GLU 369 Cb -0.23 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.66 1ua3 s GLU 369 CO 0.28 -2.02 0.78 0.08 0.95 0.00 0.00 175.26 175.33 1ua3 s VAL 370 N -2.14 4.73 0.05 1.83 1.01 -1.26 -4.83 120.40 119.78 1ua3 s VAL 370 Ca 0.73 0.84 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 1ua3 s VAL 370 Cb -0.28 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1ua3 s VAL 370 CO 0.49 -0.45 0.36 0.42 0.00 0.00 0.00 175.10 175.91 1ua3 s THR 371 N 3.10 5.16 -0.18 3.92 -4.23 -1.26 -4.97 115.64 117.17 1ua3 s THR 371 Ca 0.31 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 1ua3 s THR 371 Cb -0.13 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1ua3 s THR 371 CO 0.17 0.35 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.95 1ua3 s ILE 372 N -1.33 3.92 0.58 2.99 -1.09 -1.26 -0.72 121.20 124.29 1ua3 s ILE 372 Ca 0.30 -0.34 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1ua3 s ILE 372 Cb -0.14 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 38.02 1ua3 s ILE 372 CO 0.17 0.46 0.85 0.20 -1.23 0.00 0.00 174.94 175.39 1ua3 s ASN 373 N 0.71 5.33 0.49 3.58 0.02 0.72 -4.94 114.94 120.85 1ua3 s ASN 373 Ca -0.01 0.34 0.14 0.00 -1.02 0.00 0.00 52.86 52.31 1ua3 s ASN 373 Cb -0.14 -1.26 1.15 0.00 0.02 0.00 0.00 41.25 41.02 1ua3 s ASN 373 CO 0.02 -1.16 2.12 0.00 0.02 0.00 0.00 177.10 178.10 1ua3 h ALA 374 N -0.10 1.91 -0.30 0.60 0.00 -2.00 0.38 119.26 119.75 1ua3 h ALA 374 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ua3 h ALA 374 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ua3 h ALA 374 CO 0.57 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1ua3 n ASP 375 N -4.51 1.71 0.00 0.00 3.85 -1.26 -4.90 116.55 111.44 1ua3 n ASP 375 Ca -0.01 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 1ua3 n ASP 375 Cb 0.09 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 1ua3 n ASP 375 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1ua3 n THR 376 N 0.42 0.00 -1.55 2.12 -2.24 0.12 -5.04 114.28 108.11 1ua3 n THR 376 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1ua3 n THR 376 Cb 0.28 -0.10 0.15 0.00 -2.10 0.00 0.00 70.33 68.57 1ua3 n THR 376 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ua3 s THR 377 N -2.84 1.96 0.17 4.28 -4.23 -1.26 -4.77 115.64 108.94 1ua3 s THR 377 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1ua3 s THR 377 Cb 0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1ua3 s THR 377 CO 0.00 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.16 1ua3 n GLY 379 N -0.26 2.18 2.54 0.00 0.00 0.10 -4.70 105.19 105.07 1ua3 n GLY 379 Ca -0.09 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 1ua3 n GLY 379 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ua3 n ASN 380 N -2.33 -5.64 -0.69 1.61 3.02 -1.26 -2.54 115.26 107.44 1ua3 n ASN 380 Ca 0.00 0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1ua3 n ASN 380 Cb 0.00 -4.89 -0.04 0.00 -0.61 0.00 0.00 39.78 34.25 1ua3 n ASN 380 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ua3 n ASP 381 N -1.57 -4.38 -4.68 6.41 8.00 -1.26 -4.75 116.55 114.32 1ua3 n ASP 381 Ca -0.22 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1ua3 n ASP 381 Cb 0.69 -2.67 -0.02 0.00 -0.02 0.00 0.00 41.12 39.09 1ua3 n ASP 381 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ua3 s TRP 382 N -2.23 2.97 0.13 1.24 0.52 -1.05 -1.05 118.94 119.47 1ua3 s TRP 382 Ca 0.00 1.05 -0.06 0.00 0.02 0.00 0.00 56.10 57.11 1ua3 s TRP 382 Cb 0.00 -3.50 -0.07 0.00 -1.15 0.00 0.00 33.47 28.75 1ua3 s TRP 382 CO 0.00 -1.70 1.33 0.28 0.02 0.00 0.00 176.95 176.88 1ua3 h VAL 383 N 5.22 1.36 -6.27 4.03 2.07 -1.21 -3.40 116.25 118.05 1ua3 h VAL 383 Ca -0.32 -2.27 -0.45 0.00 0.82 0.00 0.00 66.70 64.48 1ua3 h VAL 383 Cb 1.14 2.26 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1ua3 h VAL 383 CO 0.92 0.69 -0.86 0.00 0.02 0.00 0.00 177.57 178.33 1ua3 h GLU 385 N -1.85 0.00 0.00 0.00 3.07 -1.88 -0.08 114.58 113.84 1ua3 h GLU 385 Ca -0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1ua3 h GLU 385 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1ua3 h GLU 385 CO 0.58 0.00 0.00 -2.39 -1.40 0.00 0.00 179.01 175.80 1ua3 n HIS 386 N -4.26 0.00 0.86 4.33 1.44 -1.26 -1.70 115.22 114.63 1ua3 n HIS 386 Ca 0.15 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.94 1ua3 n HIS 386 Cb 0.82 -0.42 -0.09 0.00 0.12 0.00 0.00 29.99 30.42 1ua3 n HIS 386 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ua3 n ARG 387 N -1.42 1.05 -1.70 -1.40 1.74 -0.05 -4.17 116.66 110.71 1ua3 n ARG 387 Ca 0.06 -0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.56 1ua3 n ARG 387 Cb 0.19 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1ua3 n ARG 387 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1ua3 n TRP 388 N -1.21 2.58 -0.23 -1.55 7.02 -0.69 -4.82 117.44 118.55 1ua3 n TRP 388 Ca 0.04 0.18 0.02 0.00 -1.02 0.00 0.00 57.50 56.72 1ua3 n TRP 388 Cb 0.30 -2.60 0.13 0.00 -2.42 0.00 0.00 31.31 26.72 1ua3 n TRP 388 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1ua3 h ARG 389 N 5.93 0.44 0.00 -0.99 2.43 -1.92 0.38 114.38 120.65 1ua3 h ARG 389 Ca -0.44 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1ua3 h ARG 389 Cb 1.23 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1ua3 h ARG 389 CO 0.89 0.29 -0.06 0.93 -1.51 0.00 0.00 179.97 180.51 1ua3 h GLU 390 N 0.46 0.00 0.02 0.20 3.07 -1.82 -0.59 114.58 115.91 1ua3 h GLU 390 Ca 0.34 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.89 1ua3 h GLU 390 Cb 0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1ua3 h GLU 390 CO -0.33 0.06 -1.71 -0.89 -1.40 0.00 0.00 179.01 174.75 1ua3 n ILE 391 N -4.21 1.56 -0.26 3.13 5.41 -0.35 -3.61 119.36 121.03 1ua3 n ILE 391 Ca -0.03 -0.21 0.01 0.00 1.00 0.00 0.00 62.75 63.52 1ua3 n ILE 391 Cb 0.15 -1.94 0.22 0.00 -0.71 0.00 0.00 39.64 37.36 1ua3 n ILE 391 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 1ua3 h ARG 392 N -0.82 1.05 0.00 0.38 0.11 -0.91 0.22 114.38 114.41 1ua3 h ARG 392 Ca -0.45 -0.06 -0.06 0.00 0.10 0.00 0.00 59.98 59.50 1ua3 h ARG 392 Cb 1.49 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 1ua3 h ARG 392 CO -0.22 0.70 -0.30 -0.91 0.10 0.00 0.00 179.97 179.33 1ua3 h ASN 393 N 1.08 0.00 1.10 0.08 2.35 -1.29 -2.00 115.58 116.90 1ua3 h ASN 393 Ca 0.32 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 1ua3 h ASN 393 Cb -0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1ua3 h ASN 393 CO -0.08 0.30 -0.82 0.24 -1.65 0.00 0.00 177.43 175.43 1ua3 h MET 394 N 0.00 0.00 -0.89 0.81 2.86 -1.29 -0.71 114.93 115.71 1ua3 h MET 394 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ua3 h MET 394 Cb 0.76 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1ua3 h MET 394 CO 0.04 0.82 0.53 0.28 1.06 0.00 0.00 176.91 179.64 1ua3 h VAL 395 N 0.00 1.25 -0.20 -2.22 2.07 -0.58 -1.69 116.25 114.87 1ua3 h VAL 395 Ca -0.01 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1ua3 h VAL 395 Cb 1.59 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ua3 h VAL 395 CO 0.11 0.26 -0.16 -0.25 0.02 0.00 0.00 177.57 177.55 1ua3 h TRP 396 N 1.23 0.55 -0.92 1.57 2.91 -1.29 -2.88 115.95 117.12 1ua3 h TRP 396 Ca 0.32 -0.15 0.18 0.00 1.13 0.00 0.00 58.89 60.36 1ua3 h TRP 396 Cb -0.04 -0.12 -0.17 0.00 -0.51 0.00 0.00 29.16 28.32 1ua3 h TRP 396 CO 0.00 0.80 -0.26 0.35 -1.03 0.00 0.00 178.44 178.30 1ua3 h PHE 397 N 0.15 -0.61 -0.52 2.65 3.57 -0.97 -0.36 116.94 120.85 1ua3 h PHE 397 Ca 0.04 0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1ua3 h PHE 397 Cb 0.68 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1ua3 h PHE 397 CO 0.07 -0.40 -0.03 -0.09 -2.23 0.00 0.00 178.31 175.63 1ua3 h ARG 398 N -0.01 0.90 -0.02 1.11 2.43 -1.15 -1.52 114.38 116.12 1ua3 h ARG 398 Ca 0.42 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1ua3 h ARG 398 Cb 0.66 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1ua3 h ARG 398 CO -0.94 0.92 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.46 1ua3 h ASN 399 N 0.83 -0.19 -0.56 -3.80 -0.26 -1.12 -2.16 115.58 108.32 1ua3 h ASN 399 Ca 0.15 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1ua3 h ASN 399 Cb 0.54 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.86 1ua3 h ASN 399 CO 0.03 -0.10 0.30 0.58 -1.06 0.00 0.00 177.43 177.18 1ua3 h VAL 400 N -0.10 1.19 -0.11 2.81 2.07 -0.28 -2.54 116.25 119.28 1ua3 h VAL 400 Ca 0.04 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ua3 h VAL 400 Cb 0.15 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1ua3 h VAL 400 CO -0.09 0.22 0.00 1.33 0.02 0.00 0.00 177.57 179.05 1ua3 n VAL 401 N -4.37 0.12 -1.67 2.57 0.24 -0.65 -4.97 118.33 109.61 1ua3 n VAL 401 Ca 0.05 -0.48 -0.63 0.00 -2.04 0.00 0.00 64.34 61.25 1ua3 n VAL 401 Cb 0.12 1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 1ua3 n VAL 401 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ua3 n ASP 402 N 1.02 1.10 0.00 -1.34 4.64 -0.82 -0.83 116.55 120.32 1ua3 n ASP 402 Ca 0.16 1.16 0.00 0.00 -1.38 0.00 0.00 54.79 54.73 1ua3 n ASP 402 Cb 0.52 -0.95 0.00 0.00 -1.04 0.00 0.00 41.12 39.65 1ua3 n ASP 402 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ua3 n GLY 403 N 3.25 1.52 3.78 0.27 0.00 -1.26 -5.04 105.19 107.70 1ua3 n GLY 403 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1ua3 n GLY 403 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ua3 s GLN 404 N -0.81 4.51 0.44 1.61 -1.52 -0.01 -5.04 119.66 118.84 1ua3 s GLN 404 Ca 0.00 1.09 -0.22 0.00 -1.95 0.00 0.00 55.36 54.28 1ua3 s GLN 404 Cb 0.00 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.44 1ua3 s GLN 404 CO 0.00 0.56 1.05 -1.25 -0.25 0.00 0.00 175.29 175.39 1ua3 s PRO 405 N -1.05 4.00 -0.20 2.91 0.04 -1.26 -4.46 135.00 134.98 1ua3 s PRO 405 Ca 0.35 1.45 -0.42 0.00 0.04 0.00 0.00 61.00 62.42 1ua3 s PRO 405 Cb -0.22 -2.34 -0.19 0.00 0.04 0.00 0.00 34.50 31.78 1ua3 s PRO 405 CO 0.25 -0.28 1.33 0.34 0.04 0.00 0.00 177.00 178.69 1ua3 n PHE 406 N -0.47 1.22 -3.69 0.56 -0.00 -1.26 -0.16 117.46 113.66 1ua3 n PHE 406 Ca 0.07 1.02 -0.11 0.00 -0.00 0.00 0.00 57.45 58.43 1ua3 n PHE 406 Cb 0.51 -2.19 -0.06 0.00 -0.00 0.00 0.00 39.48 37.75 1ua3 n PHE 406 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ua3 s ALA 407 N 1.38 -0.82 -1.41 3.13 0.00 -0.65 -4.82 121.76 118.56 1ua3 s ALA 407 Ca 0.96 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 1ua3 s ALA 407 Cb -1.31 0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1ua3 s ALA 407 CO 0.66 -0.55 1.10 0.09 0.00 0.00 0.00 175.76 177.06 1ua3 n ASN 408 N 0.06 -5.55 -4.78 0.00 5.03 -1.26 -0.12 115.26 108.64 1ua3 n ASN 408 Ca -0.17 -0.63 -0.41 0.00 0.87 0.00 0.00 54.58 54.24 1ua3 n ASN 408 Cb 0.62 -4.63 -0.00 0.00 -1.02 0.00 0.00 39.78 34.75 1ua3 n ASN 408 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1ua3 s TRP 409 N -3.32 2.67 0.01 3.10 -0.11 -1.26 -4.17 118.94 115.86 1ua3 s TRP 409 Ca 0.57 1.22 -0.01 0.00 1.22 0.00 0.00 56.10 59.10 1ua3 s TRP 409 Cb -0.27 -3.96 -0.01 0.00 -1.50 0.00 0.00 33.47 27.73 1ua3 s TRP 409 CO 0.77 -2.78 -0.00 -0.46 -4.62 0.00 0.00 176.95 169.85 1ua3 s TRP 410 N -1.13 0.20 0.16 5.86 -0.00 0.54 -4.96 118.94 119.61 1ua3 s TRP 410 Ca 0.52 -0.42 -0.13 0.00 -0.00 0.00 0.00 56.10 56.07 1ua3 s TRP 410 Cb -0.45 -0.15 0.01 0.00 -0.00 0.00 0.00 33.47 32.88 1ua3 s TRP 410 CO 0.61 -0.18 0.37 0.16 -0.00 0.00 0.00 176.95 177.91 1ua3 s ASP 411 N -1.29 -0.10 -0.19 5.86 1.47 -1.26 -0.30 116.67 120.86 1ua3 s ASP 411 Ca -0.14 -0.60 0.15 0.00 1.18 0.00 0.00 52.55 53.14 1ua3 s ASP 411 Cb -0.09 0.48 0.76 0.00 -0.34 0.00 0.00 42.92 43.73 1ua3 s ASP 411 CO -0.01 -0.91 1.67 -0.46 0.68 0.00 0.00 175.17 176.14 1ua3 n ASN 412 N -0.24 5.24 0.00 2.11 6.94 -0.42 -4.90 115.26 124.00 1ua3 n ASN 412 Ca -0.11 -2.73 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 1ua3 n ASN 412 Cb 0.63 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1ua3 n ASN 412 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ua3 n GLY 413 N 0.80 0.71 0.00 4.83 0.00 -1.26 -4.84 105.19 105.43 1ua3 n GLY 413 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ua3 n GLY 413 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ua3 n SER 414 N -0.05 0.00 -0.18 1.61 2.88 -1.26 -4.93 113.62 111.70 1ua3 n SER 414 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1ua3 n SER 414 Cb 0.02 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.56 1ua3 n SER 414 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ua3 n ASN 415 N 0.00 1.48 -4.53 -3.46 3.02 -1.26 -1.54 115.26 108.98 1ua3 n ASN 415 Ca 0.00 -2.51 -0.36 0.00 -0.03 0.00 0.00 54.58 51.68 1ua3 n ASN 415 Cb 0.00 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 1ua3 n ASN 415 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ua3 s GLN 416 N -1.65 3.80 0.05 3.52 -0.21 -1.26 -0.86 119.66 123.05 1ua3 s GLN 416 Ca 0.17 -0.41 -0.01 0.00 0.02 0.00 0.00 55.36 55.13 1ua3 s GLN 416 Cb 0.15 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 1ua3 s GLN 416 CO 0.02 -0.01 -0.03 0.14 -2.12 0.00 0.00 175.29 173.28 1ua3 s VAL 417 N 1.16 0.21 0.05 1.09 -7.23 -0.92 -1.30 120.40 113.46 1ua3 s VAL 417 Ca 0.05 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1ua3 s VAL 417 Cb -0.14 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.37 1ua3 s VAL 417 CO 0.04 -0.97 0.30 0.00 -0.31 0.00 0.00 175.10 174.15 1ua3 s ALA 418 N -3.78 -0.66 0.20 1.32 0.00 0.59 -0.78 121.76 118.65 1ua3 s ALA 418 Ca 0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 1ua3 s ALA 418 Cb 0.07 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.59 1ua3 s ALA 418 CO -0.10 -0.44 0.82 -0.59 0.00 0.00 0.00 175.76 175.46 1ua3 s PHE 419 N -2.74 -0.21 0.40 0.00 -0.12 -0.87 -0.34 117.98 114.12 1ua3 s PHE 419 Ca -0.04 -0.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 1ua3 s PHE 419 Cb -0.00 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1ua3 s PHE 419 CO -0.05 -1.00 0.06 0.20 -0.05 0.00 0.00 175.22 174.38 1ua3 s GLY 420 N -2.89 2.52 -0.30 1.99 0.00 0.83 -1.31 107.32 108.16 1ua3 s GLY 420 Ca 0.10 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.37 1ua3 s GLY 420 CO 0.02 -1.95 0.00 0.50 0.00 0.00 0.00 173.10 171.67 1ua3 s ARG 421 N -3.81 1.57 2.26 2.90 1.81 0.23 -1.64 118.95 122.28 1ua3 s ARG 421 Ca 0.26 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 52.78 1ua3 s ARG 421 Cb 0.06 -2.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.70 1ua3 s ARG 421 CO 0.13 -0.80 0.00 0.41 -0.68 0.00 0.00 175.30 174.36 1ua3 n GLY 422 N 4.45 2.85 1.32 -3.53 0.00 0.78 -1.30 105.19 109.76 1ua3 n GLY 422 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ua3 n GLY 422 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ua3 n ASN 423 N 2.22 3.74 -0.00 1.61 6.94 -1.26 -4.64 115.26 123.86 1ua3 n ASN 423 Ca 0.00 -3.32 0.02 0.00 -0.02 0.00 0.00 54.58 51.26 1ua3 n ASN 423 Cb 0.00 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 36.76 1ua3 n ASN 423 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ua3 n ARG 424 N -0.62 4.04 -3.56 -3.83 1.74 -0.42 -4.56 116.66 109.45 1ua3 n ARG 424 Ca 0.32 -0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.31 1ua3 n ARG 424 Cb 1.10 -0.81 -0.02 0.00 -1.02 0.00 0.00 32.46 31.71 1ua3 n ARG 424 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ua3 s GLY 425 N -1.70 -0.41 -0.10 -0.13 0.00 -1.16 -0.65 107.32 103.15 1ua3 s GLY 425 Ca 0.01 0.74 -0.19 0.00 0.00 0.00 0.00 44.72 45.28 1ua3 s GLY 425 CO 0.17 0.24 0.47 -0.12 0.00 0.00 0.00 173.10 173.85 1ua3 s PHE 426 N -3.21 -0.45 -0.03 1.90 5.36 -0.16 -0.60 117.98 120.79 1ua3 s PHE 426 Ca 0.07 0.95 -0.05 0.00 -0.96 0.00 0.00 56.93 56.93 1ua3 s PHE 426 Cb -0.01 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.88 1ua3 s PHE 426 CO -0.06 -0.37 0.12 -1.50 -1.46 0.00 0.00 175.22 171.95 1ua3 s ILE 427 N -0.53 0.03 -0.03 3.12 2.07 -0.42 -1.22 121.20 124.22 1ua3 s ILE 427 Ca -0.06 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1ua3 s ILE 427 Cb -0.03 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.30 1ua3 s ILE 427 CO 0.04 -0.16 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.21 1ua3 s VAL 428 N -0.49 0.29 -0.04 4.00 1.01 0.33 -2.04 120.40 123.44 1ua3 s VAL 428 Ca -0.06 0.01 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1ua3 s VAL 428 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1ua3 s VAL 428 CO 0.01 0.16 -0.22 -0.36 0.00 0.00 0.00 175.10 174.69 1ua3 s PHE 429 N 0.89 2.09 -0.33 5.22 0.40 0.04 -1.00 117.98 125.29 1ua3 s PHE 429 Ca -0.10 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 1ua3 s PHE 429 Cb -0.13 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.11 1ua3 s PHE 429 CO -0.01 -0.15 0.03 1.21 0.70 0.00 0.00 175.22 177.00 1ua3 s ASN 430 N -0.22 4.77 -0.19 1.36 2.47 -0.09 -2.17 114.94 120.86 1ua3 s ASN 430 Ca 0.00 -1.88 0.16 0.00 0.42 0.00 0.00 52.86 51.56 1ua3 s ASN 430 Cb -0.12 -1.64 0.46 0.00 -1.45 0.00 0.00 41.25 38.50 1ua3 s ASN 430 CO 0.02 -0.34 1.36 -3.20 -3.72 0.00 0.00 177.10 171.21 1ua3 n ASN 431 N 4.37 3.15 -4.95 -4.21 5.15 -0.04 -4.77 115.26 113.96 1ua3 n ASN 431 Ca -0.03 -3.22 -0.23 0.00 -0.60 0.00 0.00 54.58 50.51 1ua3 n ASN 431 Cb 0.42 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1ua3 n ASN 431 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ua3 s ASP 432 N -2.34 5.96 -0.23 1.20 -0.00 -1.24 -4.82 116.67 115.19 1ua3 s ASP 432 Ca 0.40 0.29 0.00 0.00 -0.00 0.00 0.00 52.55 53.24 1ua3 s ASP 432 Cb 0.34 -1.63 0.23 0.00 -0.00 0.00 0.00 42.92 41.86 1ua3 s ASP 432 CO 0.05 -0.58 1.72 0.47 -0.00 0.00 0.00 175.17 176.83 1ua3 n ASP 433 N -1.97 4.90 -3.09 0.27 10.43 -1.26 -4.68 116.55 121.15 1ua3 n ASP 433 Ca -0.00 -2.83 -0.11 0.00 2.57 0.00 0.00 54.79 54.41 1ua3 n ASP 433 Cb 0.57 -0.87 -0.00 0.00 1.84 0.00 0.00 41.12 42.66 1ua3 n ASP 433 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 1ua3 s TRP 434 N -1.48 0.51 0.32 1.24 -2.14 -1.26 -4.98 118.94 111.15 1ua3 s TRP 434 Ca 0.25 -1.00 -0.29 0.00 2.66 0.00 0.00 56.10 57.73 1ua3 s TRP 434 Cb 0.21 0.44 -0.10 0.00 -3.10 0.00 0.00 33.47 30.92 1ua3 s TRP 434 CO 0.02 -1.38 1.29 -1.14 -2.66 0.00 0.00 176.95 173.08 1ua3 s GLN 435 N -2.67 4.38 -0.20 3.25 2.00 -1.26 -4.09 119.66 121.07 1ua3 s GLN 435 Ca 0.22 2.17 -0.14 0.00 -2.00 0.00 0.00 55.36 55.61 1ua3 s GLN 435 Cb -0.03 -3.09 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 1ua3 s GLN 435 CO 0.15 -0.16 0.33 -1.17 -0.50 0.00 0.00 175.29 173.94 1ua3 s LEU 436 N -1.63 4.17 -0.34 3.68 0.20 -0.27 -4.98 118.68 119.51 1ua3 s LEU 436 Ca 0.49 0.44 0.04 0.00 0.69 0.00 0.00 54.13 55.79 1ua3 s LEU 436 Cb -0.39 -2.40 0.16 0.00 -0.43 0.00 0.00 46.19 43.13 1ua3 s LEU 436 CO 0.51 -0.00 0.45 -0.55 -0.29 0.00 0.00 176.35 176.46 1ua3 s SER 437 N 0.89 0.17 -0.02 3.68 0.15 -1.25 -1.11 113.70 116.21 1ua3 s SER 437 Ca 0.16 -0.82 -0.09 0.00 0.70 0.00 0.00 55.95 55.91 1ua3 s SER 437 Cb -0.14 1.14 0.01 0.00 -1.71 0.00 0.00 66.02 65.32 1ua3 s SER 437 CO 0.06 -0.29 0.19 -0.44 1.20 0.00 0.00 173.24 173.96 1ua3 s SER 438 N 2.07 -0.07 -0.31 5.45 0.01 -0.95 -5.00 113.70 114.89 1ua3 s SER 438 Ca 0.13 -0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.25 1ua3 s SER 438 Cb -0.12 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1ua3 s SER 438 CO -0.17 -0.33 0.22 -0.89 0.41 0.00 0.00 173.24 172.49 1ua3 s THR 439 N -1.08 5.29 0.10 1.44 2.01 -1.26 -0.95 115.64 121.19 1ua3 s THR 439 Ca -0.12 -0.03 0.10 0.00 0.31 0.00 0.00 61.69 61.95 1ua3 s THR 439 Cb -0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1ua3 s THR 439 CO 0.02 0.10 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.04 1ua3 s LEU 440 N 1.75 2.28 -0.13 4.42 1.43 -0.15 -4.88 118.68 123.39 1ua3 s LEU 440 Ca 0.07 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1ua3 s LEU 440 Cb -0.17 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 1ua3 s LEU 440 CO 0.11 0.16 1.33 -1.58 0.23 0.00 0.00 176.35 176.59 1ua3 s GLN 441 N -1.81 4.23 0.08 1.70 2.00 -1.26 -1.50 119.66 123.09 1ua3 s GLN 441 Ca 0.11 1.76 0.22 0.00 -2.00 0.00 0.00 55.36 55.46 1ua3 s GLN 441 Cb -0.10 -3.78 -0.12 0.00 0.80 0.00 0.00 33.01 29.81 1ua3 s GLN 441 CO 0.05 -0.71 0.83 0.25 -0.50 0.00 0.00 175.29 175.21 1ua3 n THR 442 N 5.32 0.28 -0.88 -0.34 -2.24 -0.14 -4.92 114.28 111.35 1ua3 n THR 442 Ca 0.14 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1ua3 n THR 442 Cb 0.45 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1ua3 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ua3 n GLY 443 N 1.26 0.74 3.90 3.38 0.00 -1.26 -4.71 105.19 108.50 1ua3 n GLY 443 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1ua3 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ua3 s LEU 444 N 0.00 4.28 0.31 0.99 1.02 -1.26 -4.28 118.68 119.74 1ua3 s LEU 444 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 54.13 54.40 1ua3 s LEU 444 Cb 0.00 -3.25 -0.13 0.00 0.02 0.00 0.00 46.19 42.83 1ua3 s LEU 444 CO 0.00 0.07 1.24 -2.65 0.02 0.00 0.00 176.35 175.03 1ua3 n PRO 445 N 0.10 1.93 -1.52 1.29 -0.02 -1.26 -4.35 135.00 131.17 1ua3 n PRO 445 Ca -0.03 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1ua3 n PRO 445 Cb 0.52 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1ua3 n PRO 445 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ua3 n GLY 446 N 1.08 -1.00 0.00 -1.23 0.00 -1.24 -4.91 105.19 97.90 1ua3 n GLY 446 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ua3 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua3 n GLY 447 N 1.56 -1.40 3.37 -0.02 0.00 -0.44 -4.98 105.19 103.27 1ua3 n GLY 447 Ca 0.11 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1ua3 n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ua3 s THR 448 N -2.14 3.60 -0.08 2.61 2.01 -1.26 0.17 115.64 120.56 1ua3 s THR 448 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1ua3 s THR 448 Cb 0.00 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1ua3 s THR 448 CO 0.00 0.43 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.87 1ua3 s TYR 449 N 1.25 2.66 0.09 4.92 2.02 -0.11 -0.53 117.35 127.65 1ua3 s TYR 449 Ca 0.03 -0.54 -0.31 0.00 -0.37 0.00 0.00 57.07 55.89 1ua3 s TYR 449 Cb -0.14 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.65 1ua3 s TYR 449 CO -0.00 -0.10 1.33 0.00 -1.57 0.00 0.00 175.55 175.21 1ua3 s ASP 451 N 1.14 6.69 0.00 0.00 3.68 -0.24 -4.61 116.67 123.33 1ua3 s ASP 451 Ca 0.63 2.30 0.23 0.00 2.13 0.00 0.00 52.55 57.84 1ua3 s ASP 451 Cb -0.34 -2.55 0.60 0.00 -1.45 0.00 0.00 42.92 39.17 1ua3 s ASP 451 CO 0.30 -0.86 1.48 1.33 0.13 0.00 0.00 175.17 177.55 1ua3 n VAL 452 N 4.99 0.21 -0.04 1.11 0.24 -0.57 -2.55 118.33 121.73 1ua3 n VAL 452 Ca 0.16 -0.48 -0.19 0.00 -2.04 0.00 0.00 64.34 61.80 1ua3 n VAL 452 Cb 0.42 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.46 1ua3 n VAL 452 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1ua3 h ILE 453 N 3.41 1.37 0.00 1.34 1.08 -1.88 -3.39 117.51 119.44 1ua3 h ILE 453 Ca 0.00 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.12 1ua3 h ILE 453 Cb 0.74 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 37.43 1ua3 h ILE 453 CO 0.00 0.58 -0.32 0.77 -0.69 0.00 0.00 178.15 178.49 1ua3 h SER 454 N -0.74 0.00 -0.03 1.72 4.64 -1.87 -3.40 113.55 113.88 1ua3 h SER 454 Ca -0.17 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1ua3 h SER 454 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1ua3 h SER 454 CO -0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1ua3 n GLY 455 N 1.20 2.26 3.07 -0.77 0.00 -1.06 -4.48 105.19 105.42 1ua3 n GLY 455 Ca 0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1ua3 n GLY 455 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ua3 s ASP 456 N 1.89 0.57 -0.18 1.61 1.11 -1.26 -4.15 116.67 116.26 1ua3 s ASP 456 Ca 0.00 -0.79 -0.29 0.00 0.18 0.00 0.00 52.55 51.65 1ua3 s ASP 456 Cb 0.00 0.13 -0.01 0.00 1.07 0.00 0.00 42.92 44.11 1ua3 s ASP 456 CO 0.00 -0.44 1.20 -0.75 1.18 0.00 0.00 175.17 176.36 1ua3 s LYS 457 N -2.86 4.25 -0.16 8.23 2.20 -1.26 -1.06 119.74 129.07 1ua3 s LYS 457 Ca -0.01 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.18 1ua3 s LYS 457 Cb -0.00 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1ua3 s LYS 457 CO -0.05 -0.67 -0.10 0.08 -0.36 0.00 0.00 175.35 174.25 1ua3 s VAL 458 N 3.35 1.41 0.00 4.02 1.01 0.17 -4.98 120.40 125.38 1ua3 s VAL 458 Ca 0.52 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ua3 s VAL 458 Cb -0.20 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ua3 s VAL 458 CO 0.13 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1ua3 n GLY 459 N 4.79 3.24 2.01 4.51 0.00 -1.26 -1.17 105.19 117.30 1ua3 n GLY 459 Ca -0.15 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1ua3 n GLY 459 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ua3 n ASN 460 N 4.47 4.47 -4.32 1.61 6.94 -1.26 -4.95 115.26 122.21 1ua3 n ASN 460 Ca 0.00 -3.70 -0.17 0.00 -0.02 0.00 0.00 54.58 50.69 1ua3 n ASN 460 Cb 0.00 -0.80 -0.10 0.00 -2.36 0.00 0.00 39.78 36.52 1ua3 n ASN 460 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ua3 s SER 461 N -1.85 2.25 -0.07 0.53 0.15 -0.32 -5.03 113.70 109.36 1ua3 s SER 461 Ca 0.56 -1.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 1ua3 s SER 461 Cb 0.47 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1ua3 s SER 461 CO 0.05 -0.27 -0.04 0.00 1.20 0.00 0.00 173.24 174.18 1ua3 h THR 463 N 4.19 0.00 -0.15 0.00 1.35 -1.46 -3.48 112.91 113.35 1ua3 h THR 463 Ca -0.50 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1ua3 h THR 463 Cb 1.18 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1ua3 h THR 463 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1ua3 n GLY 464 N 1.32 5.27 3.77 5.82 0.00 -1.26 -4.85 105.19 115.26 1ua3 n GLY 464 Ca 0.04 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1ua3 n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua3 s ILE 465 N 3.26 2.56 -0.08 -0.61 1.01 -1.26 -4.90 121.20 121.17 1ua3 s ILE 465 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1ua3 s ILE 465 Cb 0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1ua3 s ILE 465 CO 0.00 0.08 -0.06 -0.54 0.00 0.00 0.00 174.94 174.42 1ua3 s LYS 466 N -2.21 2.90 -0.27 2.79 1.02 -1.26 -1.08 119.74 121.62 1ua3 s LYS 466 Ca 0.56 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 1ua3 s LYS 466 Cb -0.39 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1ua3 s LYS 466 CO 0.50 0.60 0.01 0.08 -0.92 0.00 0.00 175.35 175.63 1ua3 s VAL 467 N -0.64 3.42 -0.36 3.17 1.01 0.69 -4.93 120.40 122.77 1ua3 s VAL 467 Ca 0.10 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1ua3 s VAL 467 Cb -0.12 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1ua3 s VAL 467 CO 0.02 0.14 0.69 -0.47 0.00 0.00 0.00 175.10 175.47 1ua3 s TYR 468 N 1.41 3.13 -0.21 5.22 5.04 -1.26 -0.93 117.35 129.75 1ua3 s TYR 468 Ca 0.01 0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 54.94 1ua3 s TYR 468 Cb -0.17 -3.25 -0.05 0.00 0.35 0.00 0.00 41.96 38.85 1ua3 s TYR 468 CO -0.01 -0.68 0.13 0.08 -1.34 0.00 0.00 175.55 173.73 1ua3 s VAL 469 N 2.86 5.31 0.97 3.14 1.01 0.13 -4.50 120.40 129.32 1ua3 s VAL 469 Ca 0.27 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1ua3 s VAL 469 Cb -0.14 -3.44 0.17 0.00 0.00 0.00 0.00 36.38 32.97 1ua3 s VAL 469 CO 0.16 0.41 1.09 -0.55 0.00 0.00 0.00 175.10 176.20 1ua3 s SER 470 N 0.61 2.77 0.36 3.32 0.15 0.11 -1.33 113.70 119.69 1ua3 s SER 470 Ca 0.07 1.45 0.12 0.00 0.70 0.00 0.00 55.95 58.29 1ua3 s SER 470 Cb -0.12 -2.12 0.92 0.00 -1.71 0.00 0.00 66.02 62.98 1ua3 s SER 470 CO 0.00 -3.07 1.81 -1.28 1.20 0.00 0.00 173.24 171.90 1ua3 h SER 471 N -1.85 0.60 -0.15 5.45 0.87 -1.94 -1.18 113.55 115.35 1ua3 h SER 471 Ca -0.53 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ua3 h SER 471 Cb 1.30 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1ua3 h SER 471 CO 0.54 0.22 0.00 -0.90 -0.53 0.00 0.00 176.83 176.16 1ua3 n ASP 472 N -4.63 1.31 0.00 6.23 3.85 -1.26 -4.46 116.55 117.59 1ua3 n ASP 472 Ca 0.22 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 1ua3 n ASP 472 Cb 0.65 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 1ua3 n ASP 472 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ua3 n GLY 473 N 1.04 0.79 3.88 6.12 0.00 -0.45 -4.93 105.19 111.64 1ua3 n GLY 473 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ua3 n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ua3 s THR 474 N -2.60 4.85 0.03 2.61 -4.23 -1.26 -0.97 115.64 114.08 1ua3 s THR 474 Ca 0.00 0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 1ua3 s THR 474 Cb 0.00 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1ua3 s THR 474 CO 0.00 -0.47 0.36 0.00 -0.54 0.00 0.00 174.62 173.97 1ua3 s ALA 475 N -2.30 -0.87 0.09 3.99 0.00 -0.56 0.05 121.76 122.15 1ua3 s ALA 475 Ca 0.49 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.43 1ua3 s ALA 475 Cb -0.10 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 1ua3 s ALA 475 CO 0.31 -0.40 0.77 -1.14 0.00 0.00 0.00 175.76 175.30 1ua3 s GLN 476 N -2.24 4.52 -0.14 0.00 0.74 -1.26 -0.98 119.66 120.29 1ua3 s GLN 476 Ca -0.07 1.10 0.02 0.00 0.05 0.00 0.00 55.36 56.46 1ua3 s GLN 476 Cb -0.02 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1ua3 s GLN 476 CO -0.01 0.38 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.86 1ua3 s PHE 477 N -0.43 2.71 -0.23 1.67 0.08 -0.13 -4.87 117.98 116.79 1ua3 s PHE 477 Ca 0.38 -1.14 0.01 0.00 0.12 0.00 0.00 56.93 56.30 1ua3 s PHE 477 Cb -0.21 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1ua3 s PHE 477 CO 0.24 -0.51 -0.09 0.45 -0.10 0.00 0.00 175.22 175.21 1ua3 s SER 478 N 0.72 3.85 -0.15 1.36 0.15 -1.26 -2.25 113.70 116.12 1ua3 s SER 478 Ca -0.08 -1.12 -0.02 0.00 0.70 0.00 0.00 55.95 55.43 1ua3 s SER 478 Cb -0.16 -1.33 0.05 0.00 -1.71 0.00 0.00 66.02 62.87 1ua3 s SER 478 CO 0.01 -0.18 0.01 -0.63 1.20 0.00 0.00 173.24 173.65 1ua3 s ILE 479 N 1.30 0.57 0.46 6.45 1.01 -0.27 -5.01 121.20 125.71 1ua3 s ILE 479 Ca -0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1ua3 s ILE 479 Cb -0.18 -0.91 -0.08 0.00 0.01 0.00 0.00 42.46 41.30 1ua3 s ILE 479 CO -0.07 -0.00 1.12 -0.55 0.00 0.00 0.00 174.94 175.44 1ua3 s SER 480 N 1.86 6.25 0.00 3.58 0.15 -1.26 -1.11 113.70 123.16 1ua3 s SER 480 Ca 0.01 2.19 0.14 0.00 0.70 0.00 0.00 55.95 58.99 1ua3 s SER 480 Cb -0.15 -2.59 0.64 0.00 -1.71 0.00 0.00 66.02 62.21 1ua3 s SER 480 CO -0.07 -0.85 1.41 -0.46 1.20 0.00 0.00 173.24 174.46 1ua3 n ASN 481 N -0.56 0.00 -1.02 5.45 6.94 -1.26 -1.69 115.26 123.12 1ua3 n ASN 481 Ca 0.08 0.30 0.10 0.00 -0.02 0.00 0.00 54.58 55.04 1ua3 n ASN 481 Cb 0.49 -0.40 0.20 0.00 -2.36 0.00 0.00 39.78 37.72 1ua3 n ASN 481 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ua3 n SER 482 N -1.40 3.28 -4.72 0.53 3.41 -1.26 -4.97 113.62 108.50 1ua3 n SER 482 Ca 0.05 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.30 1ua3 n SER 482 Cb 0.14 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1ua3 n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ua3 n ALA 483 N 1.26 1.59 -0.16 7.33 0.00 -0.68 -4.92 120.51 124.93 1ua3 n ALA 483 Ca 0.17 0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.90 1ua3 n ALA 483 Cb 0.54 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.73 1ua3 n ALA 483 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ua3 h GLU 484 N 2.59 0.48 -4.62 0.00 5.08 -1.93 -3.34 114.58 112.84 1ua3 h GLU 484 Ca -0.48 -0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.20 1ua3 h GLU 484 Cb 1.27 -0.11 -0.39 0.00 0.50 0.00 0.00 28.75 30.02 1ua3 h GLU 484 CO 0.63 0.32 -0.74 -0.51 -1.00 0.00 0.00 179.01 177.71 1ua3 s ASP 485 N -5.50 4.62 -0.09 1.42 1.01 -1.26 -4.88 116.67 111.99 1ua3 s ASP 485 Ca -0.13 -1.95 -0.02 0.00 0.71 0.00 0.00 52.55 51.16 1ua3 s ASP 485 Cb 0.13 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1ua3 s ASP 485 CO 0.73 -0.34 2.49 -0.81 0.21 0.00 0.00 175.17 177.45 1ua3 n PRO 486 N 4.34 1.50 -3.68 8.23 -0.04 -1.25 -4.78 135.00 139.31 1ua3 n PRO 486 Ca -0.00 -0.69 -0.12 0.00 -0.04 0.00 0.00 63.50 62.64 1ua3 n PRO 486 Cb 0.42 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1ua3 n PRO 486 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ua3 s PHE 487 N -0.16 -0.24 0.01 0.54 -0.12 -1.26 -0.92 117.98 115.84 1ua3 s PHE 487 Ca 0.27 0.17 0.04 0.00 -0.05 0.00 0.00 56.93 57.37 1ua3 s PHE 487 Cb 0.15 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1ua3 s PHE 487 CO -0.02 -0.57 -0.13 0.42 -0.05 0.00 0.00 175.22 174.88 1ua3 s ILE 488 N -2.54 1.04 -0.05 -4.49 1.01 -0.17 -4.80 121.20 111.20 1ua3 s ILE 488 Ca -0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1ua3 s ILE 488 Cb -0.01 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1ua3 s ILE 488 CO -0.03 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.18 1ua3 s ALA 489 N -0.58 -0.26 0.05 9.38 0.00 -1.26 -0.52 121.76 128.58 1ua3 s ALA 489 Ca 0.03 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1ua3 s ALA 489 Cb -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1ua3 s ALA 489 CO 0.00 -0.10 -0.07 0.96 0.00 0.00 0.00 175.76 176.55 1ua3 s ILE 490 N 0.62 0.49 0.31 0.00 -4.36 -0.36 -1.51 121.20 116.40 1ua3 s ILE 490 Ca -0.05 -1.24 -0.10 0.00 -0.26 0.00 0.00 60.65 59.00 1ua3 s ILE 490 Cb -0.06 -0.79 0.01 0.00 1.25 0.00 0.00 42.46 42.87 1ua3 s ILE 490 CO -0.03 -0.51 0.56 -1.38 0.24 0.00 0.00 174.94 173.81 1ua3 s HIS 491 N -1.90 0.53 0.43 1.37 -3.43 -1.26 -0.99 115.29 110.04 1ua3 s HIS 491 Ca -0.06 -0.92 0.16 0.00 -0.80 0.00 0.00 55.06 53.44 1ua3 s HIS 491 Cb -0.06 0.26 1.08 0.00 -1.43 0.00 0.00 32.58 32.42 1ua3 s HIS 491 CO -0.01 -1.18 1.93 0.00 -2.00 0.00 0.00 174.74 173.47 1ua3 h ALA 492 N 2.13 2.14 -0.16 -1.38 0.00 -1.22 0.36 119.26 121.14 1ua3 h ALA 492 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ua3 h ALA 492 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ua3 h ALA 492 CO 0.37 -0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1ua3 n GLU 493 N -4.47 2.00 -0.22 0.00 1.02 -1.26 -3.19 120.64 114.52 1ua3 n GLU 493 Ca 0.14 -1.49 0.10 0.00 -0.02 0.00 0.00 57.16 55.89 1ua3 n GLU 493 Cb 0.54 -1.45 0.22 0.00 -0.02 0.00 0.00 31.44 30.72 1ua3 n GLU 493 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ua3 n SER 494 N 0.74 3.36 -4.73 1.62 3.41 0.11 -4.96 113.62 113.17 1ua3 n SER 494 Ca 0.17 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.42 1ua3 n SER 494 Cb 0.45 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 1ua3 n SER 494 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ua3 s LYS 495 N -1.20 4.60 0.00 4.33 2.20 -1.19 -0.60 119.74 127.88 1ua3 s LYS 495 Ca 0.36 1.61 0.26 0.00 -0.36 0.00 0.00 55.97 57.84 1ua3 s LYS 495 Cb 0.20 -3.34 1.55 0.00 -1.51 0.00 0.00 37.83 34.73 1ua3 s LYS 495 CO 0.27 0.05 1.91 1.28 -0.36 0.00 0.00 175.35 178.50