#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ac1 h GLN 2 N 0.00 0.20 -4.72 0.00 1.08 -2.10 -3.43 115.11 106.15 1ac1 h GLN 2 Ca 0.00 -0.35 -0.69 0.00 -1.45 0.00 0.00 58.65 56.16 1ac1 h GLN 2 Cb 0.00 0.13 -0.31 0.00 -0.05 0.00 0.00 27.48 27.25 1ac1 h GLN 2 CO 0.00 1.02 -0.65 0.71 -0.95 0.00 0.00 178.83 178.96 1ac1 s TYR 3 N -2.58 3.27 -0.11 2.96 2.02 -1.26 -5.03 117.35 116.63 1ac1 s TYR 3 Ca -0.16 -1.68 -0.03 0.00 -0.37 0.00 0.00 57.07 54.83 1ac1 s TYR 3 Cb 0.07 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 1ac1 s TYR 3 CO 0.80 -0.77 0.02 -1.21 -1.57 0.00 0.00 175.55 172.82 1ac1 s GLU 4 N 1.32 3.20 0.07 -0.62 2.02 -1.26 -5.05 118.70 118.37 1ac1 s GLU 4 Ca -0.03 -0.37 -0.31 0.00 0.02 0.00 0.00 54.97 54.28 1ac1 s GLU 4 Cb -0.20 -2.90 -0.08 0.00 0.10 0.00 0.00 34.13 31.05 1ac1 s GLU 4 CO 0.01 0.64 1.68 0.34 0.02 0.00 0.00 175.26 177.95 1ac1 s ASP 5 N -0.69 6.58 0.00 -0.19 -1.08 -1.26 -1.29 116.67 118.74 1ac1 s ASP 5 Ca 0.11 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 1ac1 s ASP 5 Cb -0.12 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1ac1 s ASP 5 CO 0.02 -0.91 0.00 0.61 0.52 0.00 0.00 175.17 175.42 1ac1 n GLY 6 N 4.04 0.33 0.18 2.66 0.00 0.17 -4.96 105.19 107.63 1ac1 n GLY 6 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ac1 n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ac1 n LYS 7 N -1.75 0.00 0.00 1.61 0.00 -0.41 -4.79 118.16 112.82 1ac1 n LYS 7 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1ac1 n LYS 7 Cb 0.00 -0.32 0.08 0.00 -0.00 0.00 0.00 35.03 34.79 1ac1 n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ac1 n GLN 8 N -2.31 1.08 -3.66 -1.58 0.00 -1.23 -3.93 117.38 105.76 1ac1 n GLN 8 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 57.00 56.06 1ac1 n GLN 8 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.74 1ac1 n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1ac1 s TYR 9 N -2.50 -0.35 0.05 2.61 1.13 -1.26 -1.04 117.35 115.98 1ac1 s TYR 9 Ca 0.19 0.01 0.04 0.00 -1.41 0.00 0.00 57.07 55.90 1ac1 s TYR 9 Cb 0.18 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.66 1ac1 s TYR 9 CO 0.57 -1.05 -0.13 0.95 -2.51 0.00 0.00 175.55 173.38 1ac1 s THR 10 N -3.83 1.00 -0.17 -3.49 -4.23 0.46 0.45 115.64 105.82 1ac1 s THR 10 Ca 0.06 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1ac1 s THR 10 Cb -0.04 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 1ac1 s THR 10 CO -0.02 -0.13 0.22 -0.89 -0.54 0.00 0.00 174.62 173.26 1ac1 s THR 11 N -1.04 5.36 0.19 3.99 2.01 -1.26 -0.71 115.64 124.18 1ac1 s THR 11 Ca -0.01 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1ac1 s THR 11 Cb -0.09 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 1ac1 s THR 11 CO 0.01 0.43 1.38 -0.76 -0.69 0.00 0.00 174.62 174.99 1ac1 s LEU 12 N 0.32 4.39 0.34 4.42 1.43 -0.06 -4.92 118.68 124.61 1ac1 s LEU 12 Ca 0.13 2.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 1ac1 s LEU 12 Cb -0.12 -3.61 0.62 0.00 0.03 0.00 0.00 46.19 43.11 1ac1 s LEU 12 CO 0.02 -0.63 1.94 1.05 0.23 0.00 0.00 176.35 178.96 1ac1 h GLU 13 N 5.68 0.68 -3.54 1.70 -0.00 -1.97 -3.34 114.58 113.80 1ac1 h GLU 13 Ca -0.44 -0.09 -0.63 0.00 -0.00 0.00 0.00 59.36 58.20 1ac1 h GLU 13 Cb 1.21 -0.13 -0.40 0.00 -0.00 0.00 0.00 28.75 29.43 1ac1 h GLU 13 CO 0.80 0.56 -0.70 -1.59 -0.00 0.00 0.00 179.01 178.08 1ac1 s LYS 14 N -5.34 1.48 0.63 1.06 0.00 -1.26 -5.11 119.74 111.20 1ac1 s LYS 14 Ca -0.09 -2.07 -0.18 0.00 0.00 0.00 0.00 55.97 53.63 1ac1 s LYS 14 Cb 0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 37.83 35.16 1ac1 s LYS 14 CO 0.77 -1.08 1.00 -2.30 0.00 0.00 0.00 175.35 173.74 1ac1 n PRO 15 N 3.71 0.86 -3.96 1.78 -0.02 -1.26 -5.01 135.00 131.10 1ac1 n PRO 15 Ca 0.05 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 1ac1 n PRO 15 Cb 0.36 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 1ac1 n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ac1 s VAL 16 N -1.53 3.33 0.33 -1.45 1.01 0.04 -5.04 120.40 117.09 1ac1 s VAL 16 Ca 0.77 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1ac1 s VAL 16 Cb -0.40 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1ac1 s VAL 16 CO 0.46 0.43 0.71 0.00 0.00 0.00 0.00 175.10 176.70 1ac1 s ALA 17 N 1.39 3.37 0.00 5.51 0.00 -1.26 -3.97 121.76 126.80 1ac1 s ALA 17 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1ac1 s ALA 17 Cb -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1ac1 s ALA 17 CO -0.03 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1ac1 n GLY 18 N -0.53 0.44 3.79 0.00 0.00 -1.26 -5.01 105.19 102.62 1ac1 n GLY 18 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1ac1 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ac1 s ALA 19 N -2.04 3.13 0.82 4.61 0.00 -1.25 -5.01 121.76 122.02 1ac1 s ALA 19 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 1ac1 s ALA 19 Cb 0.00 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1ac1 s ALA 19 CO 0.00 0.03 0.89 -2.30 0.00 0.00 0.00 175.76 174.39 1ac1 n PRO 20 N 0.10 0.10 0.01 0.00 -0.02 -1.26 -4.62 135.00 129.31 1ac1 n PRO 20 Ca 0.04 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 1ac1 n PRO 20 Cb 0.51 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1ac1 n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ac1 h GLN 21 N -0.93 -0.12 -4.37 -0.52 4.20 -1.93 -3.37 115.11 108.06 1ac1 h GLN 21 Ca -0.45 0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.69 1ac1 h GLN 21 Cb 1.31 0.03 -0.37 0.00 0.30 0.00 0.00 27.48 28.74 1ac1 h GLN 21 CO 0.43 -0.08 -0.81 0.08 -0.67 0.00 0.00 178.83 177.78 1ac1 s VAL 22 N -6.17 1.29 -0.16 -0.54 1.01 -1.13 0.11 120.40 114.81 1ac1 s VAL 22 Ca -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ac1 s VAL 22 Cb 0.09 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1ac1 s VAL 22 CO 0.67 0.28 -0.20 -0.22 0.00 0.00 0.00 175.10 175.63 1ac1 s LEU 23 N 1.58 2.16 -0.05 3.92 0.20 -0.34 -0.49 118.68 125.65 1ac1 s LEU 23 Ca 0.02 -0.61 0.04 0.00 0.69 0.00 0.00 54.13 54.27 1ac1 s LEU 23 Cb -0.14 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1ac1 s LEU 23 CO -0.09 0.04 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.14 1ac1 s GLU 24 N 1.07 2.52 0.02 1.98 2.12 0.77 -0.91 118.70 126.28 1ac1 s GLU 24 Ca -0.01 -0.75 0.08 0.00 0.36 0.00 0.00 54.97 54.65 1ac1 s GLU 24 Cb -0.14 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 1ac1 s GLU 24 CO -0.07 0.55 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.92 1ac1 s PHE 25 N -0.56 2.45 0.34 5.30 0.08 -0.24 -0.31 117.98 125.04 1ac1 s PHE 25 Ca 0.08 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.67 1ac1 s PHE 25 Cb -0.11 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1ac1 s PHE 25 CO 0.01 0.15 0.65 -0.59 -0.10 0.00 0.00 175.22 175.34 1ac1 s PHE 26 N -0.81 0.39 -0.13 0.36 -0.71 -0.41 -2.53 117.98 114.15 1ac1 s PHE 26 Ca 0.12 -0.87 -0.11 0.00 -1.04 0.00 0.00 56.93 55.03 1ac1 s PHE 26 Cb -0.10 0.47 0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1ac1 s PHE 26 CO 0.03 -1.33 0.34 0.45 -1.34 0.00 0.00 175.22 173.36 1ac1 s SER 27 N -3.10 -0.35 0.08 1.98 0.15 -1.26 -1.59 113.70 109.61 1ac1 s SER 27 Ca 0.20 0.68 0.16 0.00 0.70 0.00 0.00 55.95 57.69 1ac1 s SER 27 Cb -0.03 0.68 0.68 0.00 -1.71 0.00 0.00 66.02 65.63 1ac1 s SER 27 CO 0.13 -0.12 1.49 0.49 1.20 0.00 0.00 173.24 176.43 1ac1 n PHE 28 N 2.99 0.25 1.06 3.44 3.72 -1.26 -1.39 117.46 126.26 1ac1 n PHE 28 Ca -0.14 0.10 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1ac1 n PHE 28 Cb 0.57 -0.66 0.10 0.00 -0.94 0.00 0.00 39.48 38.55 1ac1 n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ac1 n PHE 29 N -1.73 0.00 -2.75 1.38 3.72 -1.26 -4.62 117.46 112.20 1ac1 n PHE 29 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 1ac1 n PHE 29 Cb 0.16 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1ac1 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ac1 h PRO 31 N 8.45 -0.21 -0.06 0.00 0.11 -1.89 -2.13 132.00 136.26 1ac1 h PRO 31 Ca -0.23 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1ac1 h PRO 31 Cb 1.07 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ac1 h PRO 31 CO 1.00 -0.14 -0.14 1.25 -0.21 0.00 0.00 178.00 179.76 1ac1 h LEU 32 N -0.22 0.08 -1.14 2.35 5.85 -1.92 -1.36 115.31 118.95 1ac1 h LEU 32 Ca 0.06 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1ac1 h LEU 32 Cb 0.31 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1ac1 h LEU 32 CO -0.17 0.23 0.05 0.00 -0.34 0.00 0.00 178.44 178.22 1ac1 h TYR 34 N 0.63 0.49 0.17 0.00 5.03 -0.73 -1.27 116.97 121.29 1ac1 h TYR 34 Ca 0.14 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1ac1 h TYR 34 Cb 0.32 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.46 1ac1 h TYR 34 CO 0.01 0.50 -0.08 1.96 -1.32 0.00 0.00 178.16 179.24 1ac1 h GLN 35 N 0.33 -0.22 -0.89 1.82 1.08 -1.04 0.71 115.11 116.92 1ac1 h GLN 35 Ca 0.10 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.46 1ac1 h GLN 35 Cb 0.24 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.63 1ac1 h GLN 35 CO -0.00 -0.10 0.49 0.74 -0.95 0.00 0.00 178.83 179.00 1ac1 h PHE 36 N -0.27 0.86 0.00 2.96 -1.00 -0.86 0.90 116.94 119.52 1ac1 h PHE 36 Ca -0.02 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1ac1 h PHE 36 Cb 0.21 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1ac1 h PHE 36 CO -0.05 0.23 -0.49 1.49 -1.61 0.00 0.00 178.31 177.88 1ac1 h GLU 37 N 0.69 0.00 0.11 1.51 4.57 -1.03 0.50 114.58 120.92 1ac1 h GLU 37 Ca 0.48 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.39 1ac1 h GLU 37 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1ac1 h GLU 37 CO -0.35 0.71 -1.26 0.93 -1.18 0.00 0.00 179.01 177.86 1ac1 h GLU 38 N -1.00 0.23 0.00 1.92 4.39 -0.90 -3.21 114.58 116.01 1ac1 h GLU 38 Ca -0.12 -0.39 -0.39 0.00 0.34 0.00 0.00 59.36 58.80 1ac1 h GLU 38 Cb 0.88 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.62 1ac1 h GLU 38 CO -0.07 1.16 -2.29 0.28 -1.16 0.00 0.00 179.01 176.93 1ac1 n VAL 39 N -3.49 1.44 0.04 3.13 0.31 -0.58 -4.71 118.33 114.47 1ac1 n VAL 39 Ca -0.09 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 63.86 1ac1 n VAL 39 Cb 1.02 -1.91 -0.13 0.00 -0.91 0.00 0.00 33.84 31.91 1ac1 n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ac1 h LEU 40 N -0.94 0.03 -1.17 7.52 4.07 -0.95 -3.49 115.31 120.37 1ac1 h LEU 40 Ca -0.59 -0.03 -0.40 0.00 0.08 0.00 0.00 57.88 56.94 1ac1 h LEU 40 Cb 1.51 -0.01 0.11 0.00 1.08 0.00 0.00 40.66 43.35 1ac1 h LEU 40 CO -0.36 1.03 -0.73 1.41 -1.08 0.00 0.00 178.44 178.71 1ac1 n HIS 41 N -3.27 -2.51 -0.03 1.13 8.25 0.16 -4.91 115.22 114.04 1ac1 n HIS 41 Ca -0.06 0.96 -0.11 0.00 -0.26 0.00 0.00 57.72 58.26 1ac1 n HIS 41 Cb 0.98 -4.79 -0.05 0.00 1.12 0.00 0.00 29.99 27.25 1ac1 n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1ac1 h ILE 42 N -2.31 0.20 -0.59 1.59 1.08 -1.31 -2.54 117.51 113.63 1ac1 h ILE 42 Ca -0.58 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1ac1 h ILE 42 Cb 1.36 0.20 -0.08 0.00 -3.07 0.00 0.00 36.82 35.23 1ac1 h ILE 42 CO 0.57 0.00 0.16 0.28 -0.69 0.00 0.00 178.15 178.46 1ac1 h SER 43 N -0.41 0.07 -0.28 1.72 0.02 -1.91 -0.42 113.55 112.35 1ac1 h SER 43 Ca 0.10 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ac1 h SER 43 Cb 0.58 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1ac1 h SER 43 CO -0.42 0.05 0.14 0.44 -1.14 0.00 0.00 176.83 175.90 1ac1 h ASP 44 N 0.30 0.35 -0.14 3.07 3.32 -1.89 -0.85 116.42 120.58 1ac1 h ASP 44 Ca 0.31 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1ac1 h ASP 44 Cb 0.43 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1ac1 h ASP 44 CO -0.36 0.36 -0.18 0.78 -1.72 0.00 0.00 179.24 178.11 1ac1 h ASN 45 N 0.32 0.55 -0.36 6.45 2.35 -1.00 -2.14 115.58 121.75 1ac1 h ASN 45 Ca 0.10 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1ac1 h ASN 45 Cb 0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1ac1 h ASN 45 CO -0.01 0.74 -0.10 0.58 -1.65 0.00 0.00 177.43 176.99 1ac1 h VAL 46 N 0.50 1.28 -0.94 2.81 2.07 -0.89 -3.03 116.25 118.04 1ac1 h VAL 46 Ca 0.08 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1ac1 h VAL 46 Cb 0.60 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1ac1 h VAL 46 CO 0.04 0.39 0.62 0.11 0.02 0.00 0.00 177.57 178.75 1ac1 h LYS 47 N 0.49 1.20 0.00 1.57 1.57 -0.86 -2.09 116.57 118.45 1ac1 h LYS 47 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ac1 h LYS 47 Cb 0.61 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ac1 h LYS 47 CO 0.04 0.79 0.00 1.63 -0.57 0.00 0.00 179.45 181.34 1ac1 n LYS 48 N -4.41 0.70 0.00 3.15 5.02 -0.83 -2.68 118.16 119.11 1ac1 n LYS 48 Ca 0.12 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.42 1ac1 n LYS 48 Cb 0.05 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 1ac1 n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ac1 n LYS 49 N -0.99 4.38 -2.47 1.97 5.02 -0.81 -5.04 118.16 120.23 1ac1 n LYS 49 Ca 0.17 -0.18 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1ac1 n LYS 49 Cb 0.08 -0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1ac1 n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ac1 s LEU 50 N -1.62 4.21 1.28 -0.35 1.43 -1.08 -4.86 118.68 117.68 1ac1 s LEU 50 Ca 0.02 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.10 1ac1 s LEU 50 Cb 0.02 -4.07 0.32 0.00 0.03 0.00 0.00 46.19 42.49 1ac1 s LEU 50 CO 0.09 -0.50 0.93 -2.65 0.23 0.00 0.00 176.35 174.45 1ac1 n PRO 51 N 0.13 -3.26 -1.99 1.29 -0.02 -1.26 -4.90 135.00 124.98 1ac1 n PRO 51 Ca 0.04 -0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 60.16 1ac1 n PRO 51 Cb 0.48 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1ac1 n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ac1 s GLU 52 N -4.53 4.25 0.00 -0.52 1.03 -1.26 -3.45 118.70 114.22 1ac1 s GLU 52 Ca 0.68 2.30 0.00 0.00 0.03 0.00 0.00 54.97 57.98 1ac1 s GLU 52 Cb -0.22 -3.15 0.00 0.00 -0.80 0.00 0.00 34.13 29.96 1ac1 s GLU 52 CO 0.63 -0.53 0.00 0.41 -1.33 0.00 0.00 175.26 174.45 1ac1 n GLY 53 N 3.24 2.41 3.63 -3.83 0.00 -1.26 -5.00 105.19 104.37 1ac1 n GLY 53 Ca 0.11 -0.49 -0.56 0.00 0.00 0.00 0.00 46.02 45.08 1ac1 n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ac1 n VAL 54 N 0.00 0.28 -3.34 1.61 0.31 -1.22 -4.93 118.33 111.03 1ac1 n VAL 54 Ca 0.00 -0.10 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 1ac1 n VAL 54 Cb 0.00 -1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1ac1 n VAL 54 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1ac1 s LYS 55 N 4.32 3.99 -0.12 5.55 0.00 -1.26 -4.93 119.74 127.29 1ac1 s LYS 55 Ca 1.02 0.51 0.01 0.00 0.00 0.00 0.00 55.97 57.51 1ac1 s LYS 55 Cb -1.03 -2.92 -0.01 0.00 0.00 0.00 0.00 37.83 33.86 1ac1 s LYS 55 CO 0.62 0.47 -0.17 1.41 0.00 0.00 0.00 175.35 177.67 1ac1 s MET 56 N -1.97 3.25 -0.09 1.78 1.75 -1.26 -2.82 119.30 119.94 1ac1 s MET 56 Ca 0.38 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 54.10 1ac1 s MET 56 Cb -0.15 -2.50 -0.01 0.00 2.84 0.00 0.00 34.83 35.00 1ac1 s MET 56 CO 0.19 0.20 -0.20 0.99 -0.65 0.00 0.00 175.02 175.55 1ac1 s THR 57 N 0.36 2.46 -0.15 10.11 2.01 0.35 -5.02 115.64 125.77 1ac1 s THR 57 Ca -0.14 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1ac1 s THR 57 Cb -0.17 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1ac1 s THR 57 CO 0.07 0.56 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.62 1ac1 s LYS 58 N 0.04 2.72 0.11 4.92 2.20 -1.26 -0.16 119.74 128.30 1ac1 s LYS 58 Ca -0.08 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.90 1ac1 s LYS 58 Cb -0.15 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1ac1 s LYS 58 CO 0.05 -0.14 -0.24 0.71 -0.36 0.00 0.00 175.35 175.37 1ac1 s TYR 59 N 1.16 2.38 0.23 4.03 2.02 0.57 -4.97 117.35 122.76 1ac1 s TYR 59 Ca -0.00 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1ac1 s TYR 59 Cb -0.14 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1ac1 s TYR 59 CO -0.08 0.31 0.47 -1.58 -1.57 0.00 0.00 175.55 173.11 1ac1 s HIS 60 N -1.03 3.47 0.27 2.71 2.46 -1.26 -1.28 115.29 120.63 1ac1 s HIS 60 Ca 0.14 0.57 0.10 0.00 0.47 0.00 0.00 55.06 56.35 1ac1 s HIS 60 Cb -0.10 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.27 1ac1 s HIS 60 CO 0.06 0.29 -0.01 0.14 -2.47 0.00 0.00 174.74 172.76 1ac1 s VAL 61 N -1.90 3.37 -0.12 0.89 -7.23 -0.62 -4.85 120.40 109.95 1ac1 s VAL 61 Ca 0.42 -1.93 0.21 0.00 -1.81 0.00 0.00 61.98 58.87 1ac1 s VAL 61 Cb -0.11 -2.82 -0.21 0.00 0.56 0.00 0.00 36.38 33.80 1ac1 s VAL 61 CO 0.27 -0.37 0.65 0.59 -0.31 0.00 0.00 175.10 175.93 1ac1 n ASN 62 N -0.89 0.35 0.00 4.85 3.02 -1.26 -4.60 115.26 116.73 1ac1 n ASN 62 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1ac1 n ASN 62 Cb 0.59 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 41.00 1ac1 n ASN 62 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1ac1 n PHE 63 N -2.50 0.00 -4.19 3.10 1.16 -1.26 -4.51 117.46 109.25 1ac1 n PHE 63 Ca -0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.36 1ac1 n PHE 63 Cb 0.65 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.39 1ac1 n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1ac1 s MET 64 N -2.00 0.56 0.00 3.97 -1.94 -1.26 -4.82 119.30 113.81 1ac1 s MET 64 Ca 0.00 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1ac1 s MET 64 Cb 0.00 -0.49 0.00 0.00 2.01 0.00 0.00 34.83 36.35 1ac1 s MET 64 CO 0.00 0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.54 1ac1 n GLY 65 N 2.45 0.56 7.00 -0.03 0.00 -1.26 -3.88 105.19 110.03 1ac1 n GLY 65 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ac1 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ac1 n GLY 66 N -2.85 2.54 0.12 -0.02 0.00 -1.26 -1.71 105.19 102.01 1ac1 n GLY 66 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1ac1 n GLY 66 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ac1 h ASP 67 N 0.00 -0.19 -0.21 1.61 3.58 -1.94 -2.69 116.42 116.58 1ac1 h ASP 67 Ca 0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1ac1 h ASP 67 Cb 0.00 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1ac1 h ASP 67 CO 0.00 -0.13 0.10 -0.07 -2.88 0.00 0.00 179.24 176.26 1ac1 h LEU 68 N -0.20 0.32 -0.57 2.28 3.38 -1.71 -2.43 115.31 116.37 1ac1 h LEU 68 Ca -0.01 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ac1 h LEU 68 Cb 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1ac1 h LEU 68 CO 0.02 0.30 0.28 1.23 0.09 0.00 0.00 178.44 180.36 1ac1 h GLY 69 N 0.50 0.82 1.07 0.83 0.00 -0.99 0.16 103.07 105.46 1ac1 h GLY 69 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1ac1 h GLY 69 CO -0.01 0.09 -0.10 0.50 0.00 0.00 0.00 176.54 177.02 1ac1 h LYS 70 N 0.53 0.99 -0.94 4.80 1.57 -1.33 -2.19 116.57 120.00 1ac1 h LYS 70 Ca 0.26 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ac1 h LYS 70 Cb 0.20 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1ac1 h LYS 70 CO -0.20 1.05 0.62 -0.44 -0.57 0.00 0.00 179.45 179.91 1ac1 h ASP 71 N 0.86 1.07 0.05 0.86 3.32 -1.06 -2.04 116.42 119.48 1ac1 h ASP 71 Ca 0.14 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1ac1 h ASP 71 Cb 0.66 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ac1 h ASP 71 CO 0.05 0.77 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.88 1ac1 h LEU 72 N 1.26 0.46 -0.85 1.55 3.38 -0.74 0.54 115.31 120.92 1ac1 h LEU 72 Ca 0.35 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1ac1 h LEU 72 Cb -0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1ac1 h LEU 72 CO -0.08 0.81 -0.06 0.74 0.09 0.00 0.00 178.44 179.93 1ac1 h THR 73 N 0.37 1.25 -0.31 0.22 2.02 -0.86 0.16 112.91 115.76 1ac1 h THR 73 Ca 0.04 -1.10 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 1ac1 h THR 73 Cb 0.84 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1ac1 h THR 73 CO 0.07 0.38 -0.49 -0.61 0.37 0.00 0.00 175.52 175.24 1ac1 h GLN 74 N 0.72 0.85 -0.52 6.66 4.15 -1.00 -1.71 115.11 124.27 1ac1 h GLN 74 Ca 0.13 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 1ac1 h GLN 74 Cb 0.53 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1ac1 h GLN 74 CO 0.03 1.14 0.08 0.00 -1.93 0.00 0.00 178.83 178.16 1ac1 h ALA 75 N 0.76 1.16 -0.39 3.38 0.00 -0.50 -1.37 119.26 122.31 1ac1 h ALA 75 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1ac1 h ALA 75 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ac1 h ALA 75 CO 0.11 0.56 -0.15 2.35 0.00 0.00 0.00 179.25 182.12 1ac1 h TRP 76 N 0.79 0.79 -0.90 0.00 2.91 -0.47 0.40 115.95 119.46 1ac1 h TRP 76 Ca 0.17 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1ac1 h TRP 76 Cb 0.36 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 1ac1 h TRP 76 CO 0.02 0.82 0.50 0.00 -1.03 0.00 0.00 178.44 178.75 1ac1 h ALA 77 N 1.19 1.15 -0.57 2.65 0.00 -0.62 0.03 119.26 123.10 1ac1 h ALA 77 Ca 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ac1 h ALA 77 Cb 0.62 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ac1 h ALA 77 CO 0.04 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.27 1ac1 h VAL 78 N 1.25 1.26 -0.83 0.00 2.07 -0.54 0.01 116.25 119.47 1ac1 h VAL 78 Ca 0.32 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1ac1 h VAL 78 Cb 0.01 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1ac1 h VAL 78 CO -0.05 0.38 0.42 0.00 0.02 0.00 0.00 177.57 178.33 1ac1 h ALA 79 N 0.99 1.18 -0.18 1.67 0.00 -0.18 -1.33 119.26 121.40 1ac1 h ALA 79 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ac1 h ALA 79 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ac1 h ALA 79 CO 0.02 0.64 -0.22 0.52 0.00 0.00 0.00 179.25 180.21 1ac1 h MET 80 N 1.17 0.47 -0.67 0.00 2.86 -0.58 -0.14 114.93 118.04 1ac1 h MET 80 Ca 0.29 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ac1 h MET 80 Cb 0.08 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1ac1 h MET 80 CO -0.04 0.84 0.41 0.00 1.06 0.00 0.00 176.91 179.18 1ac1 h ALA 81 N 0.62 0.86 0.00 6.32 0.00 -0.82 -2.63 119.26 123.61 1ac1 h ALA 81 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ac1 h ALA 81 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ac1 h ALA 81 CO 0.05 0.33 -0.23 1.28 0.00 0.00 0.00 179.25 180.68 1ac1 n LEU 82 N -4.57 0.24 -1.67 0.00 4.77 -0.52 -4.96 117.00 110.30 1ac1 n LEU 82 Ca 0.06 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1ac1 n LEU 82 Cb 0.05 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1ac1 n LEU 82 CO 0.36 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 1ac1 n GLY 83 N 1.50 0.01 0.96 -0.72 0.00 -0.21 -4.95 105.19 101.78 1ac1 n GLY 83 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ac1 n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ac1 n VAL 84 N -3.94 2.41 -0.23 1.61 0.24 -0.37 -4.75 118.33 113.31 1ac1 n VAL 84 Ca -0.07 -2.60 0.01 0.00 -2.04 0.00 0.00 64.34 59.63 1ac1 n VAL 84 Cb 0.57 -0.29 0.12 0.00 -1.47 0.00 0.00 33.84 32.77 1ac1 n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1ac1 h GLU 85 N 1.06 0.51 0.00 7.34 3.07 -1.93 -1.09 114.58 123.55 1ac1 h GLU 85 Ca 0.14 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1ac1 h GLU 85 Cb 1.49 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1ac1 h GLU 85 CO 0.28 0.34 0.00 -0.25 -1.40 0.00 0.00 179.01 177.98 1ac1 n ASP 86 N -4.91 0.00 -0.01 1.42 8.00 -1.26 -2.25 116.55 117.54 1ac1 n ASP 86 Ca 0.10 0.10 0.05 0.00 0.71 0.00 0.00 54.79 55.76 1ac1 n ASP 86 Cb 0.27 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 1ac1 n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ac1 n LYS 87 N -1.29 0.54 0.00 -1.24 5.02 -0.44 -4.73 118.16 116.02 1ac1 n LYS 87 Ca 0.06 -0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1ac1 n LYS 87 Cb 0.11 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1ac1 n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1ac1 n VAL 88 N -1.99 0.00 0.13 -0.18 0.24 -1.05 -4.70 118.33 110.78 1ac1 n VAL 88 Ca -0.04 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 1ac1 n VAL 88 Cb 0.38 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1ac1 n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1ac1 h THR 89 N 0.10 0.79 0.72 3.34 2.02 -1.73 -1.78 112.91 116.37 1ac1 h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1ac1 h THR 89 Cb 0.18 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ac1 h THR 89 CO 0.00 0.00 -0.34 0.58 0.37 0.00 0.00 175.52 176.13 1ac1 h VAL 90 N -0.26 0.20 -0.08 3.16 2.07 -1.87 -1.37 116.25 118.10 1ac1 h VAL 90 Ca -0.02 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ac1 h VAL 90 Cb 0.21 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ac1 h VAL 90 CO 0.03 0.02 0.08 1.55 0.02 0.00 0.00 177.57 179.26 1ac1 h PRO 91 N -1.10 0.00 -0.04 1.57 0.13 -1.84 -0.11 132.00 130.62 1ac1 h PRO 91 Ca -0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 1ac1 h PRO 91 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1ac1 h PRO 91 CO 0.16 0.00 -0.43 -0.07 -0.23 0.00 0.00 178.00 177.44 1ac1 h LEU 92 N 0.00 0.44 -0.34 1.56 3.38 -1.16 0.97 115.31 120.15 1ac1 h LEU 92 Ca 0.04 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1ac1 h LEU 92 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ac1 h LEU 92 CO -0.00 1.08 0.22 -0.26 0.09 0.00 0.00 178.44 179.58 1ac1 h PHE 93 N -0.17 0.43 -0.42 1.13 0.04 -0.51 -2.00 116.94 115.45 1ac1 h PHE 93 Ca -0.04 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 1ac1 h PHE 93 Cb 1.12 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1ac1 h PHE 93 CO 0.14 0.28 -0.19 0.93 -0.60 0.00 0.00 178.31 178.87 1ac1 h GLU 94 N 0.46 0.87 -0.99 1.51 5.08 -1.10 0.17 114.58 120.58 1ac1 h GLU 94 Ca 0.12 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1ac1 h GLU 94 Cb -0.04 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 1ac1 h GLU 94 CO -0.03 1.02 0.64 0.78 -1.00 0.00 0.00 179.01 180.42 1ac1 h GLY 95 N 0.69 1.53 0.68 -3.84 0.00 -0.60 0.25 103.07 101.77 1ac1 h GLY 95 Ca 0.09 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 1ac1 h GLY 95 CO 0.06 0.30 -1.08 -2.08 0.00 0.00 0.00 176.54 173.75 1ac1 h VAL 96 N 1.13 1.32 0.00 4.60 2.07 -1.26 -1.75 116.25 122.37 1ac1 h VAL 96 Ca 0.44 -2.50 -0.12 0.00 0.82 0.00 0.00 66.70 65.33 1ac1 h VAL 96 Cb 0.21 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 1ac1 h VAL 96 CO -0.19 0.72 -2.02 0.00 0.02 0.00 0.00 177.57 176.10 1ac1 n GLN 97 N -4.02 0.76 -0.09 1.57 6.02 0.04 -4.23 117.38 117.42 1ac1 n GLN 97 Ca -0.18 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 56.59 1ac1 n GLN 97 Cb 0.87 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.63 1ac1 n GLN 97 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ac1 n LYS 98 N -2.36 0.52 0.03 -1.09 4.81 0.77 -4.72 118.16 116.12 1ac1 n LYS 98 Ca -0.13 0.29 0.11 0.00 -0.87 0.00 0.00 58.31 57.71 1ac1 n LYS 98 Cb 0.73 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 34.33 1ac1 n LYS 98 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ac1 n THR 99 N -4.47 0.17 -3.30 3.15 -2.24 -0.47 -4.98 114.28 102.14 1ac1 n THR 99 Ca -0.17 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 1ac1 n THR 99 Cb 0.50 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 1ac1 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ac1 n GLN 100 N -1.93 -4.04 0.02 -0.78 6.02 -0.92 -4.86 117.38 110.90 1ac1 n GLN 100 Ca 0.02 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.75 1ac1 n GLN 100 Cb 0.43 -5.39 0.15 0.00 1.02 0.00 0.00 30.24 26.45 1ac1 n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ac1 n THR 101 N -4.17 0.12 -3.23 5.09 -2.24 -0.71 -4.77 114.28 104.38 1ac1 n THR 101 Ca -0.04 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1ac1 n THR 101 Cb 0.56 0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 1ac1 n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ac1 s ILE 102 N -3.08 4.97 0.00 2.28 1.01 -1.07 -4.85 121.20 120.46 1ac1 s ILE 102 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1ac1 s ILE 102 Cb 0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1ac1 s ILE 102 CO 0.74 -0.58 0.03 0.54 0.00 0.00 0.00 174.94 175.68 1ac1 n ARG 103 N 5.91 3.92 -3.97 2.79 1.74 -1.26 -4.79 116.66 121.01 1ac1 n ARG 103 Ca -0.06 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 1ac1 n ARG 103 Cb 0.47 -0.36 -0.04 0.00 -1.02 0.00 0.00 32.46 31.50 1ac1 n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ac1 s SER 104 N -0.57 -0.06 0.51 0.55 1.04 -1.26 -4.99 113.70 108.92 1ac1 s SER 104 Ca 0.00 -0.91 0.19 0.00 0.48 0.00 0.00 55.95 55.71 1ac1 s SER 104 Cb 0.00 0.63 1.27 0.00 0.10 0.00 0.00 66.02 68.03 1ac1 s SER 104 CO 0.00 -1.22 2.07 0.00 0.98 0.00 0.00 173.24 175.07 1ac1 h ALA 105 N 2.18 2.18 -0.70 5.32 0.00 -1.98 -0.21 119.26 126.04 1ac1 h ALA 105 Ca -0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ac1 h ALA 105 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1ac1 h ALA 105 CO 0.33 -0.25 0.20 1.03 0.00 0.00 0.00 179.25 180.56 1ac1 h SER 106 N 0.07 1.03 -0.02 0.00 0.87 -2.00 -1.91 113.55 111.60 1ac1 h SER 106 Ca 0.13 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 1ac1 h SER 106 Cb 0.43 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ac1 h SER 106 CO -0.01 0.97 -0.29 0.44 -0.53 0.00 0.00 176.83 177.41 1ac1 h ASP 107 N 1.05 0.47 -0.40 6.23 3.32 -1.39 -2.28 116.42 123.42 1ac1 h ASP 107 Ca 0.22 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ac1 h ASP 107 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1ac1 h ASP 107 CO -0.00 0.75 0.09 0.40 -1.72 0.00 0.00 179.24 178.76 1ac1 h ILE 108 N 0.41 1.23 -0.85 0.35 2.04 -1.09 -2.86 117.51 116.74 1ac1 h ILE 108 Ca 0.05 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1ac1 h ILE 108 Cb 0.71 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1ac1 h ILE 108 CO 0.05 0.28 0.54 -0.09 0.00 0.00 0.00 178.15 178.93 1ac1 h ARG 109 N 0.51 1.00 -0.89 2.37 2.43 -1.11 -2.02 114.38 116.67 1ac1 h ARG 109 Ca 0.13 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1ac1 h ARG 109 Cb 0.32 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1ac1 h ARG 109 CO 0.00 0.66 0.58 -0.44 -1.51 0.00 0.00 179.97 179.26 1ac1 h ASP 110 N 1.03 0.89 -0.28 -3.80 3.32 -1.19 -1.46 116.42 114.94 1ac1 h ASP 110 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1ac1 h ASP 110 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ac1 h ASP 110 CO -0.13 0.58 0.18 0.58 -1.72 0.00 0.00 179.24 178.73 1ac1 h VAL 111 N 1.01 1.08 -0.70 -1.35 2.07 -1.26 0.19 116.25 117.28 1ac1 h VAL 111 Ca 0.38 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1ac1 h VAL 111 Cb 0.18 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1ac1 h VAL 111 CO -0.14 0.08 0.34 -0.26 0.02 0.00 0.00 177.57 177.61 1ac1 h PHE 112 N 0.37 1.02 -0.51 1.57 -1.00 -1.27 0.88 116.94 117.99 1ac1 h PHE 112 Ca 0.10 -0.05 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 1ac1 h PHE 112 Cb -0.02 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.20 1ac1 h PHE 112 CO -0.05 0.76 -0.11 0.82 -1.61 0.00 0.00 178.31 178.12 1ac1 h ILE 113 N 0.99 1.27 -0.55 -0.55 2.04 -0.97 -0.27 117.51 119.46 1ac1 h ILE 113 Ca 0.24 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 1ac1 h ILE 113 Cb 0.12 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1ac1 h ILE 113 CO -0.03 0.43 -0.06 -1.13 0.00 0.00 0.00 178.15 177.37 1ac1 h ASN 114 N 0.85 1.00 0.05 1.72 -0.73 -0.33 -2.17 115.58 115.96 1ac1 h ASN 114 Ca 0.14 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1ac1 h ASN 114 Cb 0.65 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1ac1 h ASN 114 CO 0.04 1.09 0.00 0.00 -0.37 0.00 0.00 177.43 178.20 1ac1 n ALA 115 N -2.48 1.98 0.00 1.57 0.00 0.28 -4.82 120.51 117.03 1ac1 n ALA 115 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ac1 n ALA 115 Cb 0.37 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ac1 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ac1 n GLY 116 N -0.11 0.54 3.70 0.00 0.00 -0.82 -5.04 105.19 103.46 1ac1 n GLY 116 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1ac1 n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ac1 s ILE 117 N -2.00 4.72 0.38 -0.61 1.09 -0.14 -4.98 121.20 119.65 1ac1 s ILE 117 Ca 0.00 1.97 -0.28 0.00 -1.10 0.00 0.00 60.65 61.24 1ac1 s ILE 117 Cb 0.00 -4.26 -0.10 0.00 -1.06 0.00 0.00 42.46 37.04 1ac1 s ILE 117 CO 0.00 0.09 1.43 -0.54 -0.10 0.00 0.00 174.94 175.81 1ac1 s LYS 118 N 1.46 4.10 0.15 2.79 -0.14 -1.26 -3.84 119.74 123.00 1ac1 s LYS 118 Ca 0.52 2.44 -0.22 0.00 -1.36 0.00 0.00 55.97 57.35 1ac1 s LYS 118 Cb -0.21 -2.94 0.03 0.00 -1.68 0.00 0.00 37.83 33.04 1ac1 s LYS 118 CO 0.24 -0.49 1.62 0.78 -0.76 0.00 0.00 175.35 176.75 1ac1 h GLY 119 N 2.97 -0.17 1.81 -3.33 0.00 -1.95 -0.26 103.07 102.14 1ac1 h GLY 119 Ca -0.50 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1ac1 h GLY 119 CO 0.64 -0.20 -0.11 1.05 0.00 0.00 0.00 176.54 177.91 1ac1 h GLU 120 N -0.25 0.24 -0.47 4.80 9.09 -1.99 -0.88 114.58 125.11 1ac1 h GLU 120 Ca 0.14 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.38 1ac1 h GLU 120 Cb 0.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 1ac1 h GLU 120 CO -0.41 0.37 -0.19 1.49 0.05 0.00 0.00 179.01 180.32 1ac1 h GLU 121 N 0.23 0.96 -0.08 1.06 4.81 -1.69 -1.36 114.58 118.51 1ac1 h GLU 121 Ca 0.05 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1ac1 h GLU 121 Cb 0.35 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ac1 h GLU 121 CO 0.02 1.07 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.42 1ac1 h TYR 122 N 0.81 0.18 -0.85 0.92 5.03 -0.55 -2.61 116.97 119.91 1ac1 h TYR 122 Ca 0.11 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 1ac1 h TYR 122 Cb 0.76 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.96 1ac1 h TYR 122 CO 0.05 0.51 0.53 -0.44 -1.32 0.00 0.00 178.16 177.49 1ac1 h ASP 123 N -0.21 1.00 0.30 -2.11 3.32 -1.13 0.18 116.42 117.78 1ac1 h ASP 123 Ca 0.02 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1ac1 h ASP 123 Cb 0.46 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ac1 h ASP 123 CO 0.01 0.75 -0.14 0.00 -1.72 0.00 0.00 179.24 178.14 1ac1 h ALA 124 N 1.42 -0.40 -0.45 3.45 0.00 -1.24 -2.42 119.26 119.63 1ac1 h ALA 124 Ca 0.31 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ac1 h ALA 124 Cb -0.08 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ac1 h ALA 124 CO -0.06 -0.68 0.27 0.00 0.00 0.00 0.00 179.25 178.78 1ac1 h ALA 125 N 0.21 0.57 -0.90 0.00 0.00 -1.19 -1.53 119.26 116.42 1ac1 h ALA 125 Ca -0.04 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.02 1ac1 h ALA 125 Cb 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1ac1 h ALA 125 CO 0.07 -0.03 0.58 2.35 0.00 0.00 0.00 179.25 182.22 1ac1 h TRP 126 N 0.55 0.72 -0.02 0.00 2.91 -0.48 -1.10 115.95 118.54 1ac1 h TRP 126 Ca 0.18 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1ac1 h TRP 126 Cb -0.01 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.42 1ac1 h TRP 126 CO -0.06 0.23 -0.16 0.09 -1.03 0.00 0.00 178.44 177.51 1ac1 n ASN 127 N -4.56 2.37 -4.77 2.65 3.02 -0.93 -4.94 115.26 108.11 1ac1 n ASN 127 Ca 0.18 -1.71 -0.33 0.00 -0.03 0.00 0.00 54.58 52.69 1ac1 n ASN 127 Cb 0.56 0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.93 1ac1 n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ac1 s SER 128 N -2.18 5.21 0.40 6.41 1.04 -0.42 -4.95 113.70 119.21 1ac1 s SER 128 Ca 0.26 2.01 0.23 0.00 0.48 0.00 0.00 55.95 58.94 1ac1 s SER 128 Cb 0.20 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 64.17 1ac1 s SER 128 CO 0.40 -1.56 1.63 -0.26 0.98 0.00 0.00 173.24 174.42 1ac1 h PHE 129 N 0.18 0.00 -0.54 5.02 -1.00 -1.91 -2.46 116.94 116.23 1ac1 h PHE 129 Ca -0.47 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.24 1ac1 h PHE 129 Cb 1.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 1ac1 h PHE 129 CO 0.54 0.00 0.06 0.28 -1.61 0.00 0.00 178.31 177.58 1ac1 h VAL 130 N 0.00 1.26 -0.48 -0.55 2.07 -1.92 -0.96 116.25 115.67 1ac1 h VAL 130 Ca 0.00 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1ac1 h VAL 130 Cb 0.96 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ac1 h VAL 130 CO 0.00 0.36 -0.20 0.58 0.02 0.00 0.00 177.57 178.33 1ac1 h VAL 131 N 0.80 1.27 -0.96 2.57 2.07 -1.77 -2.33 116.25 117.90 1ac1 h VAL 131 Ca 0.16 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1ac1 h VAL 131 Cb 0.45 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1ac1 h VAL 131 CO 0.02 0.47 0.63 0.11 0.02 0.00 0.00 177.57 178.82 1ac1 h LYS 132 N 0.84 1.19 0.00 1.57 1.57 -0.96 -0.05 116.57 120.74 1ac1 h LYS 132 Ca 0.11 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1ac1 h LYS 132 Cb 0.77 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1ac1 h LYS 132 CO 0.06 0.79 -0.61 0.66 -0.57 0.00 0.00 179.45 179.78 1ac1 h SER 133 N 1.23 0.00 -0.53 0.86 4.64 -1.02 -2.07 113.55 116.66 1ac1 h SER 133 Ca 0.38 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.59 1ac1 h SER 133 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1ac1 h SER 133 CO -0.11 0.61 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.29 1ac1 h LEU 134 N 0.00 1.01 -0.47 5.97 4.07 -0.64 0.12 115.31 125.38 1ac1 h LEU 134 Ca -0.01 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 1ac1 h LEU 134 Cb 1.12 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 1ac1 h LEU 134 CO 0.08 1.12 0.22 0.58 -1.08 0.00 0.00 178.44 179.36 1ac1 h VAL 135 N 0.88 1.19 -0.69 1.22 2.07 -0.86 -1.64 116.25 118.41 1ac1 h VAL 135 Ca 0.14 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1ac1 h VAL 135 Cb 0.66 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1ac1 h VAL 135 CO 0.05 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.10 1ac1 h ALA 136 N 1.06 1.14 -0.58 1.67 0.00 -1.08 -1.22 119.26 120.26 1ac1 h ALA 136 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ac1 h ALA 136 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ac1 h ALA 136 CO -0.02 0.61 0.23 1.96 0.00 0.00 0.00 179.25 182.03 1ac1 h GLN 137 N 1.01 0.87 -0.29 0.00 4.20 -0.59 0.61 115.11 120.91 1ac1 h GLN 137 Ca 0.23 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ac1 h GLN 137 Cb 0.23 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ac1 h GLN 137 CO -0.02 0.75 0.18 1.96 -0.67 0.00 0.00 178.83 181.03 1ac1 h GLN 138 N 0.80 0.40 -0.41 1.46 4.20 -0.85 -0.88 115.11 119.83 1ac1 h GLN 138 Ca 0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1ac1 h GLN 138 Cb 0.21 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1ac1 h GLN 138 CO -0.01 0.31 0.19 0.93 -0.67 0.00 0.00 178.83 179.58 1ac1 h GLU 139 N 0.37 0.59 -0.48 1.46 5.08 -1.01 -2.47 114.58 118.12 1ac1 h GLU 139 Ca 0.11 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ac1 h GLU 139 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ac1 h GLU 139 CO -0.02 0.53 0.29 -0.22 -1.00 0.00 0.00 179.01 178.59 1ac1 h LYS 140 N 0.52 0.66 -0.71 2.33 3.64 -0.69 -0.85 116.57 121.47 1ac1 h LYS 140 Ca 0.14 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1ac1 h LYS 140 Cb 0.14 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1ac1 h LYS 140 CO -0.02 0.49 0.42 0.00 -2.27 0.00 0.00 179.45 178.08 1ac1 h ALA 141 N 1.13 0.94 -0.70 5.00 0.00 -1.03 0.97 119.26 125.58 1ac1 h ALA 141 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ac1 h ALA 141 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ac1 h ALA 141 CO -0.03 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.56 1ac1 h ALA 142 N 1.33 1.01 -0.56 0.00 0.00 -1.02 -2.89 119.26 117.13 1ac1 h ALA 142 Ca 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ac1 h ALA 142 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ac1 h ALA 142 CO -0.15 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.87 1ac1 h ALA 143 N 1.15 0.74 -0.48 0.00 0.00 -0.16 -1.87 119.26 118.64 1ac1 h ALA 143 Ca 0.22 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1ac1 h ALA 143 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ac1 h ALA 143 CO -0.00 0.47 0.34 -0.44 0.00 0.00 0.00 179.25 179.61 1ac1 h ASP 144 N 0.81 0.10 -0.32 0.00 3.32 -0.63 -1.73 116.42 117.98 1ac1 h ASP 144 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ac1 h ASP 144 Cb 0.38 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1ac1 h ASP 144 CO 0.01 0.06 0.00 1.33 -1.72 0.00 0.00 179.24 178.92 1ac1 n VAL 145 N -4.43 0.80 -3.82 -1.35 0.24 -1.10 -4.91 118.33 103.76 1ac1 n VAL 145 Ca 0.08 -0.90 -0.23 0.00 -2.04 0.00 0.00 64.34 61.25 1ac1 n VAL 145 Cb 0.47 0.65 0.01 0.00 -1.47 0.00 0.00 33.84 33.50 1ac1 n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ac1 n GLN 146 N 0.66 -4.19 -2.00 7.34 6.02 -0.65 -4.87 117.38 119.69 1ac1 n GLN 146 Ca 0.12 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.21 1ac1 n GLN 146 Cb 0.42 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 26.76 1ac1 n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ac1 s LEU 147 N -6.81 4.36 -0.01 1.08 2.96 -0.82 -4.89 118.68 114.55 1ac1 s LEU 147 Ca 0.01 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.41 1ac1 s LEU 147 Cb -0.00 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1ac1 s LEU 147 CO 0.85 -0.81 0.81 -2.11 -1.32 0.00 0.00 176.35 173.77 1ac1 n ARG 148 N 4.72 1.23 -3.58 1.98 1.85 -1.26 -4.98 116.66 116.62 1ac1 n ARG 148 Ca 0.14 -1.14 -0.13 0.00 -1.00 0.00 0.00 57.85 55.72 1ac1 n ARG 148 Cb 0.40 -0.79 -0.06 0.00 -1.05 0.00 0.00 32.46 30.97 1ac1 n ARG 148 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ac1 s GLY 149 N -0.78 -0.37 0.10 2.89 0.00 -1.26 -5.17 107.32 102.72 1ac1 s GLY 149 Ca 0.03 1.94 0.05 0.00 0.00 0.00 0.00 44.72 46.74 1ac1 s GLY 149 CO 0.00 1.25 -0.12 -1.34 0.00 0.00 0.00 173.10 172.90 1ac1 s VAL 150 N -0.69 1.09 0.64 1.40 -7.23 -1.26 -4.46 120.40 109.88 1ac1 s VAL 150 Ca -0.03 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1ac1 s VAL 150 Cb -0.02 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1ac1 s VAL 150 CO 0.03 -0.47 1.07 -2.16 -0.31 0.00 0.00 175.10 173.26 1ac1 s PRO 151 N -2.60 3.08 -0.01 4.82 0.04 -1.26 -4.89 135.00 134.18 1ac1 s PRO 151 Ca 0.05 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 1ac1 s PRO 151 Cb -0.05 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ac1 s PRO 151 CO 0.01 -1.00 0.29 0.00 0.04 0.00 0.00 177.00 176.34 1ac1 s ALA 152 N -2.58 -0.73 -0.08 8.56 0.00 -1.05 -5.00 121.76 120.88 1ac1 s ALA 152 Ca 0.63 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1ac1 s ALA 152 Cb -0.16 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1ac1 s ALA 152 CO 0.42 -0.27 0.19 1.41 0.00 0.00 0.00 175.76 177.51 1ac1 s MET 153 N -1.45 0.13 0.00 0.00 1.75 -1.26 -1.08 119.30 117.39 1ac1 s MET 153 Ca -0.13 0.46 0.08 0.00 -1.25 0.00 0.00 55.69 54.85 1ac1 s MET 153 Cb -0.05 -0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.44 1ac1 s MET 153 CO 0.03 -0.18 -0.25 -0.06 -0.65 0.00 0.00 175.02 173.92 1ac1 s PHE 154 N 1.34 2.37 -0.12 4.11 0.40 -0.09 -1.56 117.98 124.44 1ac1 s PHE 154 Ca -0.08 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1ac1 s PHE 154 Cb -0.11 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 1ac1 s PHE 154 CO -0.07 0.05 -0.17 0.08 0.70 0.00 0.00 175.22 175.81 1ac1 s VAL 155 N -0.70 2.64 -1.36 -0.44 1.01 0.29 -1.20 120.40 120.62 1ac1 s VAL 155 Ca 0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1ac1 s VAL 155 Cb -0.10 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.27 1ac1 s VAL 155 CO 0.00 0.53 0.57 0.59 0.00 0.00 0.00 175.10 176.80 1ac1 n ASN 156 N 3.63 -4.02 -1.74 3.32 3.02 0.12 -1.41 115.26 118.18 1ac1 n ASN 156 Ca -0.19 -0.46 -0.11 0.00 -0.03 0.00 0.00 54.58 53.79 1ac1 n ASN 156 Cb 0.53 -3.30 -0.03 0.00 -0.61 0.00 0.00 39.78 36.37 1ac1 n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ac1 n GLY 157 N -1.27 0.45 0.00 7.41 0.00 -1.26 -4.68 105.19 105.84 1ac1 n GLY 157 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ac1 n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ac1 n LYS 158 N -2.10 1.60 -4.42 1.61 4.81 -0.50 -0.78 118.16 118.37 1ac1 n LYS 158 Ca -0.11 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.05 1ac1 n LYS 158 Cb 0.44 -0.68 -0.13 0.00 0.02 0.00 0.00 35.03 34.68 1ac1 n LYS 158 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1ac1 s TYR 159 N -1.32 2.19 -0.10 5.64 2.02 -0.87 -0.88 117.35 124.03 1ac1 s TYR 159 Ca 0.00 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1ac1 s TYR 159 Cb 0.00 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1ac1 s TYR 159 CO 0.00 0.29 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.97 1ac1 s GLN 160 N -1.94 2.24 0.52 -0.62 0.74 0.11 -0.55 119.66 120.18 1ac1 s GLN 160 Ca 0.12 -0.58 -0.22 0.00 0.05 0.00 0.00 55.36 54.73 1ac1 s GLN 160 Cb -0.10 -1.85 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 1ac1 s GLN 160 CO 0.05 -0.00 1.28 -0.51 -0.55 0.00 0.00 175.29 175.56 1ac1 s LEU 161 N 0.80 3.88 -0.46 3.68 2.01 -0.60 -0.40 118.68 127.59 1ac1 s LEU 161 Ca -0.11 2.57 0.03 0.00 0.01 0.00 0.00 54.13 56.63 1ac1 s LEU 161 Cb -0.16 -4.30 0.14 0.00 0.01 0.00 0.00 46.19 41.88 1ac1 s LEU 161 CO 0.01 -1.36 0.27 0.21 1.01 0.00 0.00 176.35 176.49 1ac1 s ASN 162 N -1.17 3.63 0.08 2.29 2.47 -0.21 -4.77 114.94 117.26 1ac1 s ASN 162 Ca 0.70 -2.78 0.11 0.00 0.42 0.00 0.00 52.86 51.31 1ac1 s ASN 162 Cb -0.35 -1.08 0.52 0.00 -1.45 0.00 0.00 41.25 38.89 1ac1 s ASN 162 CO 0.42 -0.24 1.36 -0.81 -3.72 0.00 0.00 177.10 174.10 1ac1 n PRO 163 N 3.34 0.04 0.24 0.43 -0.04 -1.26 -2.27 135.00 135.48 1ac1 n PRO 163 Ca 0.11 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1ac1 n PRO 163 Cb 0.35 -1.61 0.54 0.00 -0.04 0.00 0.00 33.50 32.74 1ac1 n PRO 163 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ac1 h GLN 164 N 0.00 0.00 -1.48 0.54 7.50 -1.93 -3.12 115.11 116.61 1ac1 h GLN 164 Ca 0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 1ac1 h GLN 164 Cb 0.15 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.47 1ac1 h GLN 164 CO 0.00 0.17 0.62 0.41 -1.50 0.00 0.00 178.83 178.53 1ac1 n GLY 165 N 0.04 4.85 3.15 3.46 0.00 -0.96 -4.90 105.19 110.82 1ac1 n GLY 165 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1ac1 n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ac1 s MET 166 N -2.66 0.56 0.20 1.61 -1.94 -1.18 -4.63 119.30 111.26 1ac1 s MET 166 Ca 0.48 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.77 1ac1 s MET 166 Cb 0.37 0.24 -0.08 0.00 2.01 0.00 0.00 34.83 37.36 1ac1 s MET 166 CO -0.08 -0.14 1.12 0.34 -0.01 0.00 0.00 175.02 176.25 1ac1 s ASP 167 N -1.49 7.22 -0.12 3.03 2.15 -1.26 -4.96 116.67 121.25 1ac1 s ASP 167 Ca -0.13 2.17 0.16 0.00 0.43 0.00 0.00 52.55 55.18 1ac1 s ASP 167 Cb -0.06 -2.61 0.29 0.00 -0.30 0.00 0.00 42.92 40.24 1ac1 s ASP 167 CO 0.01 -0.24 1.17 0.35 -0.17 0.00 0.00 175.17 176.30 1ac1 n THR 168 N 2.11 1.81 -0.09 1.71 -2.24 -1.26 -4.23 114.28 112.10 1ac1 n THR 168 Ca 0.02 -2.03 -0.13 0.00 -2.27 0.00 0.00 64.05 59.64 1ac1 n THR 168 Cb 0.45 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1ac1 n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ac1 h SER 169 N 0.28 0.70 -3.26 3.42 4.64 -2.02 -3.41 113.55 113.90 1ac1 h SER 169 Ca 0.00 -0.47 -0.67 0.00 -0.47 0.00 0.00 61.79 60.19 1ac1 h SER 169 Cb 0.99 -0.20 -0.31 0.00 -0.31 0.00 0.00 62.40 62.57 1ac1 h SER 169 CO 0.03 1.02 -0.81 0.21 -0.87 0.00 0.00 176.83 176.41 1ac1 s ASN 170 N -6.48 3.58 0.18 4.97 3.84 -1.26 -5.03 114.94 114.74 1ac1 s ASN 170 Ca -0.13 -0.50 -0.07 0.00 0.21 0.00 0.00 52.86 52.38 1ac1 s ASN 170 Cb 0.08 -1.55 0.09 0.00 -0.55 0.00 0.00 41.25 39.32 1ac1 s ASN 170 CO 0.82 0.08 1.58 0.24 -2.79 0.00 0.00 177.10 177.02 1ac1 h MET 171 N 7.37 0.89 -0.72 0.43 2.86 -1.92 -2.63 114.93 121.20 1ac1 h MET 171 Ca -0.34 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 56.91 1ac1 h MET 171 Cb 1.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1ac1 h MET 171 CO 0.57 1.03 0.38 -0.44 1.06 0.00 0.00 176.91 179.51 1ac1 h ASP 172 N 0.77 0.92 -0.63 1.22 3.32 -1.98 -1.06 116.42 118.98 1ac1 h ASP 172 Ca 0.10 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1ac1 h ASP 172 Cb 0.79 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1ac1 h ASP 172 CO 0.07 0.77 0.07 0.58 -1.72 0.00 0.00 179.24 179.00 1ac1 h VAL 173 N 1.00 1.26 0.05 -1.35 2.07 -1.93 -2.36 116.25 115.00 1ac1 h VAL 173 Ca 0.25 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1ac1 h VAL 173 Cb 0.07 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ac1 h VAL 173 CO -0.04 0.40 -0.04 0.15 0.02 0.00 0.00 177.57 178.06 1ac1 h PHE 174 N 1.00 -0.11 -0.55 1.57 3.57 -1.03 -0.68 116.94 120.72 1ac1 h PHE 174 Ca 0.19 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1ac1 h PHE 174 Cb 0.48 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1ac1 h PHE 174 CO 0.03 -0.07 0.25 0.28 -2.23 0.00 0.00 178.31 176.58 1ac1 h VAL 175 N -0.10 0.89 -0.17 1.41 2.07 -1.10 -0.60 116.25 118.66 1ac1 h VAL 175 Ca 0.00 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1ac1 h VAL 175 Cb 0.09 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ac1 h VAL 175 CO -0.01 0.09 -0.38 1.56 0.02 0.00 0.00 177.57 178.85 1ac1 h GLN 176 N 0.48 0.37 -0.58 1.57 1.08 -1.20 0.07 115.11 116.90 1ac1 h GLN 176 Ca 0.26 -0.17 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1ac1 h GLN 176 Cb 0.22 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1ac1 h GLN 176 CO -0.21 0.69 -0.06 0.37 -0.95 0.00 0.00 178.83 178.67 1ac1 h GLN 177 N 0.31 1.06 0.16 1.46 4.15 -0.63 -0.22 115.11 121.40 1ac1 h GLN 177 Ca 0.03 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1ac1 h GLN 177 Cb 0.81 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1ac1 h GLN 177 CO 0.06 1.07 -0.08 -0.92 -1.93 0.00 0.00 178.83 177.03 1ac1 h TYR 178 N 0.95 -0.20 -0.38 3.99 5.03 -0.57 -2.25 116.97 123.54 1ac1 h TYR 178 Ca 0.16 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.50 1ac1 h TYR 178 Cb 0.63 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 1ac1 h TYR 178 CO 0.04 0.03 0.18 0.00 -1.32 0.00 0.00 178.16 177.10 1ac1 h ALA 179 N 0.38 0.47 -0.75 1.82 0.00 -0.89 -2.43 119.26 117.85 1ac1 h ALA 179 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ac1 h ALA 179 Cb 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1ac1 h ALA 179 CO 0.04 -0.19 0.50 -0.44 0.00 0.00 0.00 179.25 179.15 1ac1 h ASP 180 N 0.37 0.84 -0.60 0.00 3.32 -0.98 -1.46 116.42 117.91 1ac1 h ASP 180 Ca 0.17 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1ac1 h ASP 180 Cb 0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1ac1 h ASP 180 CO -0.13 0.60 0.00 0.74 -1.72 0.00 0.00 179.24 178.74 1ac1 h THR 181 N 0.99 1.27 -0.59 0.35 2.02 -0.96 -0.61 112.91 115.37 1ac1 h THR 181 Ca 0.28 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1ac1 h THR 181 Cb -0.07 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ac1 h THR 181 CO -0.07 0.42 0.17 0.58 0.37 0.00 0.00 175.52 176.99 1ac1 h VAL 182 N 0.98 1.25 0.06 3.16 2.07 -0.92 -0.47 116.25 122.37 1ac1 h VAL 182 Ca 0.17 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1ac1 h VAL 182 Cb 0.55 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ac1 h VAL 182 CO 0.03 0.32 -0.03 0.50 0.02 0.00 0.00 177.57 178.41 1ac1 h LYS 183 N 0.85 -0.07 -0.24 1.57 3.64 -1.00 0.17 116.57 121.49 1ac1 h LYS 183 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1ac1 h LYS 183 Cb 0.31 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1ac1 h LYS 183 CO -0.00 -0.01 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.12 1ac1 h TYR 184 N -0.12 -0.31 -0.45 1.91 3.20 -0.92 -2.25 116.97 118.03 1ac1 h TYR 184 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1ac1 h TYR 184 Cb 0.10 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1ac1 h TYR 184 CO -0.06 -0.19 0.09 -0.07 -1.64 0.00 0.00 178.16 176.29 1ac1 h LEU 185 N -0.10 0.63 -1.52 2.82 3.38 -0.84 -2.71 115.31 116.98 1ac1 h LEU 185 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ac1 h LEU 185 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ac1 h LEU 185 CO -0.31 0.64 -0.24 0.77 0.09 0.00 0.00 178.44 179.39 1ac1 h SER 186 N 0.66 0.00 -0.53 -0.43 4.64 -0.36 -2.31 113.55 115.21 1ac1 h SER 186 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ac1 h SER 186 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ac1 h SER 186 CO 0.00 0.24 0.00 -1.84 -0.87 0.00 0.00 176.83 174.36 1ac1 n GLU 187 N -3.81 2.59 0.00 4.77 0.28 -1.07 -5.02 120.64 118.37 1ac1 n GLU 187 Ca -0.02 -2.41 0.13 0.00 -0.16 0.00 0.00 57.16 54.70 1ac1 n GLU 187 Cb 0.33 -1.51 0.26 0.00 1.43 0.00 0.00 31.44 31.95 1ac1 n GLU 187 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14