#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bap s LEU 3 N 0.00 4.33 -0.13 0.00 2.96 -1.26 -4.85 118.68 119.73 1bap s LEU 3 Ca 0.00 3.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1bap s LEU 3 Cb 0.00 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1bap s LEU 3 CO 0.00 -0.92 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.43 1bap s LYS 4 N -1.21 3.34 0.04 1.98 1.02 -1.26 -0.73 119.74 122.91 1bap s LYS 4 Ca 0.59 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.93 1bap s LYS 4 Cb -0.48 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1bap s LYS 4 CO 0.55 0.19 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.48 1bap s LEU 5 N 0.40 2.15 0.26 3.17 1.43 0.21 -1.62 118.68 124.67 1bap s LEU 5 Ca -0.11 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1bap s LEU 5 Cb -0.16 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 1bap s LEU 5 CO 0.06 0.13 0.60 -0.83 0.23 0.00 0.00 176.35 176.54 1bap s GLY 6 N -1.07 2.28 -0.33 -3.19 0.00 -0.12 -0.06 107.32 104.84 1bap s GLY 6 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1bap s GLY 6 CO 0.01 -0.04 0.14 -0.12 0.00 0.00 0.00 173.10 173.10 1bap s PHE 7 N -1.88 1.20 -0.19 1.90 2.19 0.04 -0.62 117.98 120.62 1bap s PHE 7 Ca 0.49 -1.58 -0.12 0.00 0.33 0.00 0.00 56.93 56.06 1bap s PHE 7 Cb -0.11 -1.38 -0.05 0.00 -1.31 0.00 0.00 43.02 40.17 1bap s PHE 7 CO 0.20 -0.84 0.19 -0.51 1.83 0.00 0.00 175.22 176.10 1bap s LEU 8 N 1.48 4.21 0.03 6.12 1.02 0.48 -2.26 118.68 129.77 1bap s LEU 8 Ca 0.12 0.32 0.05 0.00 0.02 0.00 0.00 54.13 54.64 1bap s LEU 8 Cb -0.19 -2.20 -0.02 0.00 0.02 0.00 0.00 46.19 43.80 1bap s LEU 8 CO -0.21 0.14 -0.14 0.68 0.02 0.00 0.00 176.35 176.84 1bap s VAL 9 N 0.47 1.09 0.19 -1.59 -7.23 -0.74 -0.58 120.40 112.01 1bap s VAL 9 Ca 0.11 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1bap s VAL 9 Cb -0.12 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 1bap s VAL 9 CO 0.01 0.04 1.50 0.07 -0.31 0.00 0.00 175.10 176.41 1bap h LYS 10 N 5.05 0.57 -2.77 4.82 2.10 -1.53 0.12 116.57 124.93 1bap h LYS 10 Ca -0.37 -0.36 -0.60 0.00 -2.00 0.00 0.00 60.65 57.32 1bap h LYS 10 Cb 1.18 0.04 -0.40 0.00 -0.90 0.00 0.00 32.23 32.15 1bap h LYS 10 CO 0.45 0.97 -0.80 -0.65 -2.00 0.00 0.00 179.45 177.41 1bap s GLN 11 N -4.01 1.06 0.26 0.07 -0.21 -1.26 -3.72 119.66 111.85 1bap s GLN 11 Ca -0.07 -1.88 0.24 0.00 0.02 0.00 0.00 55.36 53.66 1bap s GLN 11 Cb 0.11 -1.93 0.97 0.00 1.00 0.00 0.00 33.01 33.16 1bap s GLN 11 CO 0.84 -1.22 1.72 -0.35 -2.12 0.00 0.00 175.29 174.17 1bap n PRO 12 N 3.51 0.21 0.16 2.91 -0.04 -1.26 -2.34 135.00 138.15 1bap n PRO 12 Ca 0.13 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1bap n PRO 12 Cb 0.37 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 32.23 1bap n PRO 12 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bap h GLU 13 N 0.00 0.00 -6.40 0.54 9.09 -1.97 -3.40 114.58 112.44 1bap h GLU 13 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1bap h GLU 13 Cb 0.41 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.48 1bap h GLU 13 CO 0.00 0.00 0.28 -1.21 0.05 0.00 0.00 179.01 178.13 1bap s GLU 14 N -3.17 4.58 0.42 1.06 2.02 -0.99 -4.96 118.70 117.67 1bap s GLU 14 Ca 0.08 1.27 0.15 0.00 0.02 0.00 0.00 54.97 56.49 1bap s GLU 14 Cb 0.09 -3.40 1.03 0.00 0.10 0.00 0.00 34.13 31.94 1bap s GLU 14 CO 0.65 0.16 1.92 -1.35 0.02 0.00 0.00 175.26 176.66 1bap h PRO 15 N 6.01 0.43 -0.44 0.39 0.11 -1.87 -0.60 132.00 136.04 1bap h PRO 15 Ca -0.43 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1bap h PRO 15 Cb 1.21 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 1bap h PRO 15 CO 0.73 0.28 -0.37 2.35 -0.21 0.00 0.00 178.00 180.78 1bap h TRP 16 N 0.44 -1.04 -0.04 0.65 2.91 -1.93 -0.16 115.95 116.78 1bap h TRP 16 Ca 0.36 0.06 -0.22 0.00 1.13 0.00 0.00 58.89 60.23 1bap h TRP 16 Cb 0.79 0.52 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 1bap h TRP 16 CO -0.00 -0.41 -0.87 0.74 -1.03 0.00 0.00 178.44 176.88 1bap h PHE 17 N -0.26 0.68 -0.90 2.65 -1.00 -1.40 -2.64 116.94 114.07 1bap h PHE 17 Ca 0.17 -0.34 0.08 0.00 2.81 0.00 0.00 57.97 60.69 1bap h PHE 17 Cb 0.56 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 1bap h PHE 17 CO -0.59 1.14 0.58 1.96 -1.61 0.00 0.00 178.31 179.79 1bap h GLN 18 N 0.29 0.92 -0.18 1.51 4.20 -1.08 -1.34 115.11 119.43 1bap h GLN 18 Ca -0.07 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.40 1bap h GLN 18 Cb 1.48 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1bap h GLN 18 CO 0.15 0.61 -0.65 1.15 -0.67 0.00 0.00 178.83 179.42 1bap h THR 19 N 0.95 1.31 -0.79 -0.54 2.02 -0.85 -1.20 112.91 113.81 1bap h THR 19 Ca 0.40 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 1bap h THR 19 Cb 0.32 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1bap h THR 19 CO -0.16 0.60 0.37 -0.33 0.37 0.00 0.00 175.52 176.36 1bap h GLU 20 N 0.50 1.15 -0.14 6.66 5.08 -1.10 -1.70 114.58 125.03 1bap h GLU 20 Ca -0.02 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1bap h GLU 20 Cb 1.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1bap h GLU 20 CO 0.13 0.90 0.08 -1.49 -1.00 0.00 0.00 179.01 177.63 1bap h TRP 21 N 1.13 0.19 -0.74 4.33 6.55 -1.12 -0.28 115.95 126.01 1bap h TRP 21 Ca 0.27 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 60.18 1bap h TRP 21 Cb 0.14 -0.06 -0.06 0.00 -0.86 0.00 0.00 29.16 28.32 1bap h TRP 21 CO 0.01 0.18 0.42 -0.22 -1.05 0.00 0.00 178.44 177.78 1bap h LYS 22 N 0.15 0.73 0.00 0.49 3.64 -0.96 -1.50 116.57 119.11 1bap h LYS 22 Ca 0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1bap h LYS 22 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1bap h LYS 22 CO -0.01 0.48 -0.41 0.74 -2.27 0.00 0.00 179.45 177.98 1bap h PHE 23 N 0.75 0.00 -0.37 1.91 -1.00 -0.93 -2.76 116.94 114.53 1bap h PHE 23 Ca 0.34 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.98 1bap h PHE 23 Cb 0.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1bap h PHE 23 CO -0.07 0.17 -0.32 0.00 -1.61 0.00 0.00 178.31 176.48 1bap h ALA 24 N 1.83 0.73 -0.65 2.45 0.00 -0.61 -1.93 119.26 121.07 1bap h ALA 24 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1bap h ALA 24 Cb 1.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1bap h ALA 24 CO 0.02 0.66 0.41 -0.44 0.00 0.00 0.00 179.25 179.90 1bap h ASP 25 N 0.70 0.68 -0.30 0.00 3.32 -1.11 -0.05 116.42 119.66 1bap h ASP 25 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1bap h ASP 25 Cb 0.87 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1bap h ASP 25 CO 0.08 0.47 0.18 0.11 -1.72 0.00 0.00 179.24 178.36 1bap h LYS 26 N 0.81 0.41 -0.64 3.56 1.57 -1.22 -0.72 116.57 120.34 1bap h LYS 26 Ca 0.26 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1bap h LYS 26 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1bap h LYS 26 CO -0.10 0.32 0.32 0.00 -0.57 0.00 0.00 179.45 179.42 1bap h ALA 27 N 1.06 1.37 -0.16 3.86 0.00 -0.83 -0.74 119.26 123.81 1bap h ALA 27 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bap h ALA 27 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1bap h ALA 27 CO -0.02 0.50 0.10 0.78 0.00 0.00 0.00 179.25 180.61 1bap h GLY 28 N 0.97 0.24 1.09 0.00 0.00 -0.46 0.71 103.07 105.62 1bap h GLY 28 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1bap h GLY 28 CO -0.03 0.09 0.26 0.50 0.00 0.00 0.00 176.54 177.36 1bap h LYS 29 N 0.19 1.14 -0.00 4.80 1.57 -0.82 0.19 116.57 123.64 1bap h LYS 29 Ca 0.06 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1bap h LYS 29 Cb 0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1bap h LYS 29 CO -0.01 0.95 0.00 -0.44 -0.57 0.00 0.00 179.45 179.38 1bap h ASP 30 N 1.10 0.00 0.34 0.86 3.45 -0.79 -3.34 116.42 118.05 1bap h ASP 30 Ca 0.25 -0.28 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 1bap h ASP 30 Cb 0.27 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1bap h ASP 30 CO -0.01 0.28 -1.70 0.18 -1.57 0.00 0.00 179.24 176.42 1bap n LEU 31 N -4.95 0.31 -0.73 1.55 4.77 0.21 -5.02 117.00 113.14 1bap n LEU 31 Ca -0.08 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1bap n LEU 31 Cb 0.16 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1bap n LEU 31 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1bap n GLY 32 N 1.29 0.87 3.19 -0.72 0.00 0.54 -5.06 105.19 105.28 1bap n GLY 32 Ca -0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1bap n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bap s PHE 33 N -2.49 0.07 -0.16 1.61 -0.12 -0.48 -4.38 117.98 112.04 1bap s PHE 33 Ca 0.00 -0.32 -0.10 0.00 -0.05 0.00 0.00 56.93 56.47 1bap s PHE 33 Cb 0.00 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 1bap s PHE 33 CO 0.00 -0.45 0.16 -2.00 -0.05 0.00 0.00 175.22 172.88 1bap s GLU 34 N -2.77 3.93 -0.28 1.99 2.12 0.09 -4.22 118.70 119.57 1bap s GLU 34 Ca -0.03 -0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 1bap s GLU 34 Cb -0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1bap s GLU 34 CO -0.05 0.47 0.24 0.08 -0.54 0.00 0.00 175.26 175.46 1bap s VAL 35 N -0.15 5.27 -0.39 3.70 1.01 -1.26 -0.62 120.40 127.96 1bap s VAL 35 Ca 0.12 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1bap s VAL 35 Cb -0.12 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1bap s VAL 35 CO 0.01 0.21 0.58 -0.63 0.00 0.00 0.00 175.10 175.28 1bap s ILE 36 N 1.85 4.92 -0.36 2.22 1.01 0.92 -4.94 121.20 126.82 1bap s ILE 36 Ca 0.09 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 1bap s ILE 36 Cb -0.16 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1bap s ILE 36 CO 0.11 -0.39 0.38 -0.54 0.00 0.00 0.00 174.94 174.50 1bap s LYS 37 N 2.60 3.47 -0.03 2.79 1.02 -1.26 -0.78 119.74 127.56 1bap s LYS 37 Ca 0.21 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.76 1bap s LYS 37 Cb -0.15 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.32 1bap s LYS 37 CO 0.16 -0.59 -0.17 0.42 -0.92 0.00 0.00 175.35 174.25 1bap s ILE 38 N 2.04 1.35 -0.04 2.17 1.01 -0.96 -5.00 121.20 121.77 1bap s ILE 38 Ca 0.12 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1bap s ILE 38 Cb -0.17 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1bap s ILE 38 CO 0.12 0.39 0.65 0.00 0.00 0.00 0.00 174.94 176.09 1bap s ALA 39 N -0.18 3.40 -0.49 9.38 0.00 -1.26 -1.80 121.76 130.81 1bap s ALA 39 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.13 1bap s ALA 39 Cb -0.09 -2.86 0.24 0.00 0.00 0.00 0.00 23.12 20.42 1bap s ALA 39 CO 0.01 0.02 0.59 1.33 0.00 0.00 0.00 175.76 177.70 1bap n VAL 40 N 3.30 0.46 0.37 0.00 0.24 0.03 -4.88 118.33 117.86 1bap n VAL 40 Ca -0.04 -4.44 0.14 0.00 -2.04 0.00 0.00 64.34 57.96 1bap n VAL 40 Cb 0.51 -2.00 0.50 0.00 -1.47 0.00 0.00 33.84 31.38 1bap n VAL 40 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1bap h PRO 41 N 4.23 0.00 -4.26 7.34 0.13 -1.78 -3.37 132.00 134.30 1bap h PRO 41 Ca 0.13 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.05 1bap h PRO 41 Cb 0.80 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.81 1bap h PRO 41 CO 0.60 0.00 -0.38 0.16 -0.23 0.00 0.00 178.00 178.15 1bap s ASP 42 N -5.02 0.37 0.19 1.44 3.84 -1.26 -4.87 116.67 111.36 1bap s ASP 42 Ca 0.05 -1.31 -0.10 0.00 -0.00 0.00 0.00 52.55 51.19 1bap s ASP 42 Cb 0.09 0.51 0.10 0.00 -1.38 0.00 0.00 42.92 42.24 1bap s ASP 42 CO 0.51 -1.03 1.73 1.23 -0.00 0.00 0.00 175.17 177.61 1bap h GLY 43 N 2.37 1.11 0.87 2.12 0.00 -1.94 -2.04 103.07 105.56 1bap h GLY 43 Ca -0.31 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 1bap h GLY 43 CO 0.43 0.59 -0.03 -2.09 0.00 0.00 0.00 176.54 175.45 1bap h GLU 44 N 0.97 -0.07 -0.10 4.80 4.81 -1.97 -2.17 114.58 120.84 1bap h GLU 44 Ca 0.22 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1bap h GLU 44 Cb 0.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1bap h GLU 44 CO -0.01 0.07 -0.04 0.87 -0.73 0.00 0.00 179.01 179.17 1bap h LYS 45 N -0.21 0.14 0.55 1.92 1.57 -1.94 -0.89 116.57 117.72 1bap h LYS 45 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1bap h LYS 45 Cb 0.18 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1bap h LYS 45 CO 0.01 0.20 -0.27 1.15 -0.57 0.00 0.00 179.45 179.98 1bap h THR 46 N 0.14 0.42 -0.64 -0.16 2.02 -1.14 0.17 112.91 113.73 1bap h THR 46 Ca 0.03 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1bap h THR 46 Cb 0.17 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1bap h THR 46 CO 0.01 0.03 0.12 -0.07 0.37 0.00 0.00 175.52 175.97 1bap h LEU 47 N -0.85 1.01 -0.49 2.58 3.38 -1.06 -2.59 115.31 117.29 1bap h LEU 47 Ca -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1bap h LEU 47 Cb 0.61 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1bap h LEU 47 CO 0.13 1.01 0.28 0.78 0.09 0.00 0.00 178.44 180.72 1bap h ASN 48 N 0.97 0.60 -0.72 -0.43 2.35 -1.13 -2.24 115.58 114.98 1bap h ASN 48 Ca 0.20 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1bap h ASN 48 Cb 0.42 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1bap h ASN 48 CO 0.01 0.50 0.47 0.00 -1.65 0.00 0.00 177.43 176.76 1bap h ALA 49 N 1.13 1.58 -0.43 -0.83 0.00 -0.42 -1.33 119.26 118.96 1bap h ALA 49 Ca 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1bap h ALA 49 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1bap h ALA 49 CO -0.03 0.34 -0.19 0.82 0.00 0.00 0.00 179.25 180.19 1bap h ILE 50 N 0.87 1.28 -0.44 0.00 2.04 -1.03 -0.56 117.51 119.67 1bap h ILE 50 Ca 0.29 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.90 1bap h ILE 50 Cb 0.06 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1bap h ILE 50 CO -0.08 0.45 0.01 0.44 0.00 0.00 0.00 178.15 178.97 1bap h ASP 51 N 0.72 -0.16 -0.16 1.72 3.32 -1.08 -1.28 116.42 119.49 1bap h ASP 51 Ca 0.10 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1bap h ASP 51 Cb 0.75 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1bap h ASP 51 CO 0.06 -0.04 0.10 0.28 -1.72 0.00 0.00 179.24 177.92 1bap h SER 52 N 0.12 0.19 -0.78 6.45 0.02 -0.87 -1.94 113.55 116.74 1bap h SER 52 Ca 0.22 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.30 1bap h SER 52 Cb 0.31 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 1bap h SER 52 CO -0.35 0.16 0.30 -0.07 -1.14 0.00 0.00 176.83 175.72 1bap h LEU 53 N 0.21 0.25 -0.47 5.07 3.38 -0.62 -1.53 115.31 121.58 1bap h LEU 53 Ca 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1bap h LEU 53 Cb -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1bap h LEU 53 CO -0.01 0.07 0.23 0.00 0.09 0.00 0.00 178.44 178.82 1bap h ALA 54 N 1.59 0.61 0.00 1.53 0.00 -0.81 -1.24 119.26 120.93 1bap h ALA 54 Ca 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1bap h ALA 54 Cb 0.71 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bap h ALA 54 CO -0.44 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 178.86 1bap h ALA 55 N 1.08 1.70 0.00 0.00 0.00 -0.87 -1.07 119.26 120.09 1bap h ALA 55 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bap h ALA 55 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bap h ALA 55 CO -0.02 0.14 -0.44 0.77 0.00 0.00 0.00 179.25 179.70 1bap h SER 56 N 0.00 0.00 0.00 0.00 0.02 -0.78 -3.48 113.55 109.31 1bap h SER 56 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bap h SER 56 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1bap h SER 56 CO 0.01 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 1bap n GLY 57 N 1.15 0.93 3.77 -3.77 0.00 -0.41 -4.99 105.19 101.88 1bap n GLY 57 Ca 0.02 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1bap n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bap s ALA 58 N -2.00 3.05 -0.29 4.61 0.00 -0.65 -4.68 121.76 121.81 1bap s ALA 58 Ca 0.00 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.06 1bap s ALA 58 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1bap s ALA 58 CO 0.00 -0.49 0.88 1.63 0.00 0.00 0.00 175.76 177.77 1bap n LYS 59 N -0.23 0.52 -3.93 0.00 4.76 -0.64 -4.77 118.16 113.88 1bap n LYS 59 Ca 0.06 -0.01 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 1bap n LYS 59 Cb 0.48 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1bap n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bap n GLY 60 N 1.26 0.18 3.45 0.72 0.00 -1.26 -2.27 105.19 107.27 1bap n GLY 60 Ca -0.01 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1bap n GLY 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bap s PHE 61 N -2.04 -0.54 -0.02 1.61 -0.71 -0.74 -0.94 117.98 114.59 1bap s PHE 61 Ca 0.30 0.98 -0.15 0.00 -1.04 0.00 0.00 56.93 57.02 1bap s PHE 61 Cb -0.01 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1bap s PHE 61 CO -0.01 -0.52 0.41 0.08 -1.34 0.00 0.00 175.22 173.83 1bap s VAL 62 N -1.04 5.06 -0.02 -2.49 1.01 0.20 -2.37 120.40 120.76 1bap s VAL 62 Ca -0.10 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1bap s VAL 62 Cb -0.02 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1bap s VAL 62 CO 0.07 0.55 -0.02 -0.51 0.00 0.00 0.00 175.10 175.19 1bap s ILE 63 N -0.85 0.26 -0.51 2.22 2.07 -0.45 -0.39 121.20 123.55 1bap s ILE 63 Ca 0.24 -0.05 -0.08 0.00 -1.41 0.00 0.00 60.65 59.34 1bap s ILE 63 Cb -0.16 -0.28 0.13 0.00 0.13 0.00 0.00 42.46 42.27 1bap s ILE 63 CO 0.13 0.12 0.37 0.00 -1.91 0.00 0.00 174.94 173.65 1bap s THR 65 N 1.11 2.67 -0.83 0.00 -1.32 -1.26 -1.76 115.64 114.24 1bap s THR 65 Ca 0.08 0.55 0.23 0.00 -1.21 0.00 0.00 61.69 61.34 1bap s THR 65 Cb -0.24 -3.30 0.21 0.00 -1.51 0.00 0.00 72.50 67.66 1bap s THR 65 CO -0.02 0.04 1.71 -0.81 -2.21 0.00 0.00 174.62 173.33 1bap n PRO 66 N -0.31 0.09 -3.49 7.08 -0.04 -1.26 -4.65 135.00 132.43 1bap n PRO 66 Ca 0.06 0.21 -0.03 0.00 -0.04 0.00 0.00 63.50 63.70 1bap n PRO 66 Cb 0.45 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1bap n PRO 66 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bap s ASP 67 N -3.58 -0.70 0.60 3.54 2.15 -1.26 -4.99 116.67 112.43 1bap s ASP 67 Ca 0.09 1.02 0.32 0.00 0.43 0.00 0.00 52.55 54.41 1bap s ASP 67 Cb 0.13 1.79 1.91 0.00 -0.30 0.00 0.00 42.92 46.44 1bap s ASP 67 CO 0.43 -0.25 2.26 -0.65 -0.17 0.00 0.00 175.17 176.80 1bap h PRO 68 N 8.08 0.00 0.00 4.34 0.11 -1.82 -1.10 132.00 141.61 1bap h PRO 68 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1bap h PRO 68 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bap h PRO 68 CO 0.17 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 179.60 1bap n LYS 69 N -3.69 0.44 0.00 1.05 5.02 -1.26 -1.90 118.16 117.82 1bap n LYS 69 Ca -0.03 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1bap n LYS 69 Cb 0.09 -1.50 0.70 0.00 -0.02 0.00 0.00 35.03 34.30 1bap n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bap n LEU 70 N -1.28 0.00 -0.32 -0.35 4.77 -0.42 -4.32 117.00 115.09 1bap n LEU 70 Ca 0.14 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 1bap n LEU 70 Cb 0.23 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1bap n LEU 70 CO 0.23 -0.01 0.50 1.23 -1.33 0.00 0.00 177.39 178.00 1bap h GLY 71 N 4.81 -0.83 0.32 -0.72 0.00 -1.56 -0.09 103.07 104.99 1bap h GLY 71 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 47.33 48.14 1bap h GLY 71 CO 0.00 -0.03 -0.09 1.76 0.00 0.00 0.00 176.54 178.18 1bap h SER 72 N -0.14 -0.33 -0.33 0.19 0.02 -1.77 -1.82 113.55 109.37 1bap h SER 72 Ca 0.14 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1bap h SER 72 Cb 0.49 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1bap h SER 72 CO -0.82 -0.12 0.17 0.00 -1.14 0.00 0.00 176.83 174.93 1bap h ALA 73 N 1.32 0.42 -0.39 3.77 0.00 -1.57 -1.35 119.26 121.47 1bap h ALA 73 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bap h ALA 73 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1bap h ALA 73 CO -0.35 -0.04 0.16 0.82 0.00 0.00 0.00 179.25 179.84 1bap h ILE 74 N 0.40 0.92 -0.60 0.00 2.04 -0.82 -1.01 117.51 118.45 1bap h ILE 74 Ca 0.11 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1bap h ILE 74 Cb 0.07 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1bap h ILE 74 CO -0.02 0.06 0.19 0.58 0.00 0.00 0.00 178.15 178.96 1bap h VAL 75 N 0.34 1.24 -0.30 1.67 2.07 -1.17 -0.59 116.25 119.53 1bap h VAL 75 Ca 0.17 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1bap h VAL 75 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1bap h VAL 75 CO -0.15 0.31 0.12 0.00 0.02 0.00 0.00 177.57 177.87 1bap h ALA 76 N 1.06 0.39 0.28 1.67 0.00 -0.94 0.31 119.26 122.03 1bap h ALA 76 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1bap h ALA 76 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bap h ALA 76 CO -0.01 -0.02 -0.14 0.87 0.00 0.00 0.00 179.25 179.96 1bap h LYS 77 N 0.34 -0.37 -0.04 0.00 1.57 -1.04 -2.00 116.57 115.03 1bap h LYS 77 Ca 0.10 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1bap h LYS 77 Cb 0.18 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1bap h LYS 77 CO -0.01 -0.24 -0.10 0.00 -0.57 0.00 0.00 179.45 178.53 1bap h ALA 78 N 0.34 -0.08 -0.58 3.86 0.00 -1.01 -2.61 119.26 119.18 1bap h ALA 78 Ca -0.04 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1bap h ALA 78 Cb 0.29 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 1bap h ALA 78 CO 0.06 -0.58 -0.34 0.00 0.00 0.00 0.00 179.25 178.39 1bap h ARG 79 N -0.15 -0.16 -0.68 0.00 3.08 -0.82 -0.20 114.38 115.44 1bap h ARG 79 Ca 0.05 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.28 1bap h ARG 79 Cb 0.22 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1bap h ARG 79 CO -0.13 -0.11 0.47 0.78 -1.07 0.00 0.00 179.97 179.91 1bap h GLY 80 N -0.17 0.34 -2.04 0.04 0.00 -1.12 -0.56 103.07 99.56 1bap h GLY 80 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1bap h GLY 80 CO -0.67 0.03 0.00 -1.72 0.00 0.00 0.00 176.54 174.17 1bap n TYR 81 N -4.42 0.19 -3.53 5.60 0.53 -0.24 -4.95 117.16 110.35 1bap n TYR 81 Ca 0.13 -0.09 -0.21 0.00 -1.02 0.00 0.00 57.90 56.71 1bap n TYR 81 Cb 0.61 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 39.01 1bap n TYR 81 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1bap n ASP 82 N 1.38 -4.32 -4.64 7.72 10.43 -0.22 -5.00 116.55 121.89 1bap n ASP 82 Ca 0.16 -0.58 -0.35 0.00 2.57 0.00 0.00 54.79 56.59 1bap n ASP 82 Cb 0.60 -5.06 -0.10 0.00 1.84 0.00 0.00 41.12 38.39 1bap n ASP 82 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1bap s MET 83 N -5.88 3.08 0.06 -1.24 -1.94 -0.32 -4.85 119.30 108.21 1bap s MET 83 Ca 0.31 -0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 53.66 1bap s MET 83 Cb -0.14 -2.79 -0.06 0.00 2.01 0.00 0.00 34.83 33.84 1bap s MET 83 CO 0.73 0.62 0.56 0.15 -0.01 0.00 0.00 175.02 177.07 1bap s LYS 84 N -0.66 4.20 -0.03 2.03 -0.14 -0.96 -4.34 119.74 119.85 1bap s LYS 84 Ca 0.10 0.71 0.07 0.00 -1.36 0.00 0.00 55.97 55.50 1bap s LYS 84 Cb -0.12 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1bap s LYS 84 CO 0.02 0.60 -0.23 0.08 -0.76 0.00 0.00 175.35 175.06 1bap s VAL 85 N -0.96 2.26 -0.05 3.17 1.01 -1.26 -1.79 120.40 122.78 1bap s VAL 85 Ca 0.29 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1bap s VAL 85 Cb -0.19 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1bap s VAL 85 CO 0.18 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 175.10 1bap s ILE 86 N -0.55 1.16 0.00 2.22 1.01 -1.00 -4.44 121.20 119.61 1bap s ILE 86 Ca 0.08 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 1bap s ILE 86 Cb -0.11 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 1bap s ILE 86 CO 0.00 0.35 0.48 0.00 0.00 0.00 0.00 174.94 175.78 1bap s ALA 87 N 0.38 3.61 -0.09 9.38 0.00 -0.44 -1.34 121.76 133.27 1bap s ALA 87 Ca -0.09 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1bap s ALA 87 Cb -0.13 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 1bap s ALA 87 CO 0.03 0.35 -0.24 0.54 0.00 0.00 0.00 175.76 176.44 1bap s VAL 88 N -0.74 2.05 0.00 0.00 0.11 -0.19 -1.60 120.40 120.02 1bap s VAL 88 Ca 0.26 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1bap s VAL 88 Cb -0.17 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1bap s VAL 88 CO 0.15 0.56 0.00 0.47 -3.33 0.00 0.00 175.10 172.95 1bap n ASP 89 N 3.35 0.00 -4.49 3.54 10.43 0.27 -4.03 116.55 125.61 1bap n ASP 89 Ca -0.19 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 56.79 1bap n ASP 89 Cb 0.53 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.37 1bap n ASP 89 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1bap s ASP 90 N 0.00 5.66 0.27 -2.24 -0.00 -1.26 -4.83 116.67 114.26 1bap s ASP 90 Ca 0.00 -0.30 -0.30 0.00 -0.00 0.00 0.00 52.55 51.95 1bap s ASP 90 Cb 0.00 -2.04 -0.09 0.00 -0.00 0.00 0.00 42.92 40.79 1bap s ASP 90 CO 0.00 -0.13 1.07 -1.58 -0.00 0.00 0.00 175.17 174.54 1bap s GLN 91 N 1.67 4.67 0.37 8.23 0.74 -1.26 -4.61 119.66 129.47 1bap s GLN 91 Ca 0.06 1.75 -0.27 0.00 0.05 0.00 0.00 55.36 56.95 1bap s GLN 91 Cb -0.16 -3.21 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 1bap s GLN 91 CO 0.08 0.25 1.33 -0.06 -0.55 0.00 0.00 175.29 176.33 1bap s PHE 92 N -1.12 2.89 0.16 1.67 0.40 -1.26 -4.64 117.98 116.09 1bap s PHE 92 Ca 0.44 1.38 0.06 0.00 -0.60 0.00 0.00 56.93 58.21 1bap s PHE 92 Cb -0.31 -3.72 -0.04 0.00 0.51 0.00 0.00 43.02 39.46 1bap s PHE 92 CO 0.39 -2.09 -0.12 0.14 0.70 0.00 0.00 175.22 174.24 1bap s VAL 93 N -1.19 1.39 0.43 -0.44 -7.23 -0.80 -0.69 120.40 111.88 1bap s VAL 93 Ca 0.53 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 1bap s VAL 93 Cb -0.40 -1.87 0.10 0.00 0.56 0.00 0.00 36.38 34.77 1bap s VAL 93 CO 0.52 -0.65 0.59 -0.46 -0.31 0.00 0.00 175.10 174.80 1bap n ASN 94 N -0.16 0.11 -0.21 4.85 0.23 0.22 -4.22 115.26 116.08 1bap n ASN 94 Ca -0.10 -1.25 -0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1bap n ASN 94 Cb 0.60 -0.45 0.23 0.00 -2.08 0.00 0.00 39.78 38.08 1bap n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bap h ALA 95 N -1.75 1.41 0.00 -2.53 0.00 -1.88 -1.89 119.26 112.62 1bap h ALA 95 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bap h ALA 95 Cb 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bap h ALA 95 CO 0.14 0.51 0.00 0.87 0.00 0.00 0.00 179.25 180.78 1bap h LYS 96 N 1.00 0.00 0.00 0.00 1.57 -2.00 -3.46 116.57 113.67 1bap h LYS 96 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1bap h LYS 96 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1bap h LYS 96 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1bap n GLY 97 N 0.98 0.86 3.78 3.86 0.00 -0.71 -5.07 105.19 108.89 1bap n GLY 97 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1bap n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bap s LYS 98 N -0.99 4.59 0.40 1.61 -0.14 -1.26 -4.73 119.74 119.21 1bap s LYS 98 Ca 0.00 1.37 -0.26 0.00 -1.36 0.00 0.00 55.97 55.71 1bap s LYS 98 Cb 0.00 -2.84 -0.09 0.00 -1.68 0.00 0.00 37.83 33.22 1bap s LYS 98 CO 0.00 0.28 1.32 -1.25 -0.76 0.00 0.00 175.35 174.94 1bap s PRO 99 N -1.98 4.01 -1.06 -1.68 0.04 -1.26 0.71 135.00 133.77 1bap s PRO 99 Ca 0.50 2.21 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1bap s PRO 99 Cb -0.20 -2.81 0.15 0.00 0.04 0.00 0.00 34.50 31.69 1bap s PRO 99 CO 0.25 -0.48 1.27 -1.64 0.04 0.00 0.00 177.00 176.44 1bap s MET 100 N -2.19 3.85 0.60 4.56 -1.94 0.14 -4.79 119.30 119.53 1bap s MET 100 Ca 0.56 -2.20 0.35 0.00 -1.71 0.00 0.00 55.69 52.69 1bap s MET 100 Cb -0.39 -4.97 1.96 0.00 2.01 0.00 0.00 34.83 33.43 1bap s MET 100 CO 0.51 -1.75 2.26 -0.44 -0.01 0.00 0.00 175.02 175.58 1bap h ASP 101 N 7.96 0.00 1.14 3.03 3.32 -1.92 -2.98 116.42 126.97 1bap h ASP 101 Ca 0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1bap h ASP 101 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1bap h ASP 101 CO 1.16 0.02 -0.27 0.71 -1.72 0.00 0.00 179.24 179.14 1bap h THR 102 N 0.00 0.58 -3.30 0.35 1.35 -1.95 -3.42 112.91 106.52 1bap h THR 102 Ca -0.00 -1.37 -0.59 0.00 -0.55 0.00 0.00 66.41 63.90 1bap h THR 102 Cb 0.08 1.94 -0.09 0.00 -1.73 0.00 0.00 68.15 68.35 1bap h THR 102 CO 0.00 0.27 0.42 -0.69 -0.25 0.00 0.00 175.52 175.27 1bap s VAL 103 N -3.46 4.86 0.26 6.82 1.01 -1.13 -5.03 120.40 123.74 1bap s VAL 103 Ca 0.02 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1bap s VAL 103 Cb 0.09 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1bap s VAL 103 CO 0.66 -0.04 1.31 -2.65 0.00 0.00 0.00 175.10 174.38 1bap n PRO 104 N 5.80 1.87 -4.56 2.72 -0.02 -1.26 -4.83 135.00 134.72 1bap n PRO 104 Ca 0.05 0.66 -0.22 0.00 -2.02 0.00 0.00 63.50 61.97 1bap n PRO 104 Cb 0.48 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 1bap n PRO 104 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bap s LEU 105 N -0.04 1.93 -0.12 2.45 2.96 0.79 -1.32 118.68 125.33 1bap s LEU 105 Ca 0.65 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1bap s LEU 105 Cb -0.66 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 45.37 1bap s LEU 105 CO 0.54 0.13 -0.16 0.68 -1.32 0.00 0.00 176.35 176.21 1bap s VAL 106 N -0.09 1.62 0.22 1.68 -7.23 -0.63 -0.53 120.40 115.44 1bap s VAL 106 Ca 0.01 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 1bap s VAL 106 Cb -0.07 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1bap s VAL 106 CO 0.00 0.46 0.46 0.00 -0.31 0.00 0.00 175.10 175.72 1bap s MET 107 N 1.07 1.45 0.72 4.82 0.23 -0.11 -0.57 119.30 126.91 1bap s MET 107 Ca -0.04 -1.14 -0.11 0.00 -1.03 0.00 0.00 55.69 53.37 1bap s MET 107 Cb -0.15 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 1bap s MET 107 CO -0.04 -0.60 1.08 0.00 -2.03 0.00 0.00 175.02 173.43 1bap s MET 108 N -3.97 2.64 -1.29 3.16 0.23 -1.26 -0.50 119.30 118.31 1bap s MET 108 Ca 0.18 1.10 -0.18 0.00 -1.03 0.00 0.00 55.69 55.76 1bap s MET 108 Cb -0.00 -1.95 0.05 0.00 -1.53 0.00 0.00 34.83 31.40 1bap s MET 108 CO 0.05 -1.34 1.80 0.00 -2.03 0.00 0.00 175.02 173.50 1bap n ALA 109 N -3.19 3.50 0.01 3.16 0.00 -0.50 -4.64 120.51 118.85 1bap n ALA 109 Ca 0.08 -3.75 -0.10 0.00 0.00 0.00 0.00 53.44 49.67 1bap n ALA 109 Cb 0.53 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 16.35 1bap n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bap h ALA 110 N 7.70 -0.01 -0.21 0.00 0.00 -1.91 -0.46 119.26 124.38 1bap h ALA 110 Ca 0.43 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1bap h ALA 110 Cb 0.86 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bap h ALA 110 CO 1.47 -0.54 0.10 1.15 0.00 0.00 0.00 179.25 181.43 1bap h THR 111 N -0.09 1.00 -0.52 0.00 2.02 -1.89 -1.18 112.91 112.25 1bap h THR 111 Ca 0.06 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1bap h THR 111 Cb 0.18 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1bap h THR 111 CO -0.14 0.04 0.09 0.11 0.37 0.00 0.00 175.52 175.99 1bap h LYS 112 N 0.22 0.81 0.05 6.66 1.79 -1.83 -0.52 116.57 123.76 1bap h LYS 112 Ca 0.08 -0.18 -0.24 0.00 -2.18 0.00 0.00 60.65 58.14 1bap h LYS 112 Cb 0.01 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1bap h LYS 112 CO -0.05 0.75 -1.05 0.82 -1.08 0.00 0.00 179.45 178.84 1bap h ILE 113 N 0.77 1.48 -0.25 1.86 2.04 -1.05 -2.25 117.51 120.12 1bap h ILE 113 Ca 0.17 -2.80 -0.00 0.00 1.00 0.00 0.00 64.86 63.22 1bap h ILE 113 Cb 0.33 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1bap h ILE 113 CO 0.00 0.82 0.14 1.23 0.00 0.00 0.00 178.15 180.34 1bap h GLY 114 N 1.63 0.36 1.22 5.37 0.00 -0.87 -1.19 103.07 109.59 1bap h GLY 114 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1bap h GLY 114 CO 0.17 0.15 0.42 0.83 0.00 0.00 0.00 176.54 178.11 1bap h GLU 115 N 0.29 1.03 -0.63 4.80 5.08 -1.07 -1.61 114.58 122.46 1bap h GLU 115 Ca 0.09 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1bap h GLU 115 Cb 0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1bap h GLU 115 CO -0.01 0.75 0.10 -0.09 -1.00 0.00 0.00 179.01 178.76 1bap h ARG 116 N 1.04 1.02 -0.29 2.33 9.65 -1.13 -1.09 114.38 125.91 1bap h ARG 116 Ca 0.26 -0.26 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1bap h ARG 116 Cb 0.01 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1bap h ARG 116 CO -0.04 0.94 0.07 0.37 2.80 0.00 0.00 179.97 184.11 1bap h GLN 117 N 0.96 0.18 -0.18 0.20 4.15 -0.29 -1.08 115.11 119.05 1bap h GLN 117 Ca 0.19 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1bap h GLN 117 Cb 0.41 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1bap h GLN 117 CO 0.01 0.12 0.11 0.78 -1.93 0.00 0.00 178.83 177.93 1bap h GLY 118 N 0.19 0.26 0.47 2.39 0.00 -0.92 -0.41 103.07 105.05 1bap h GLY 118 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.42 1bap h GLY 118 CO -0.16 0.10 0.08 1.46 0.00 0.00 0.00 176.54 178.03 1bap h GLN 119 N 0.23 0.21 -0.01 4.80 4.20 -0.90 -1.77 115.11 121.86 1bap h GLN 119 Ca 0.07 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1bap h GLN 119 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1bap h GLN 119 CO -0.01 0.14 -0.68 0.93 -0.67 0.00 0.00 178.83 178.54 1bap h GLU 120 N 0.21 0.05 -0.34 1.46 4.39 -0.98 -1.50 114.58 117.88 1bap h GLU 120 Ca 0.21 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1bap h GLU 120 Cb 0.25 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1bap h GLU 120 CO -0.27 0.71 0.17 -0.07 -1.16 0.00 0.00 179.01 178.39 1bap h LEU 121 N 0.04 0.44 -0.31 1.33 3.38 -0.83 -1.90 115.31 117.45 1bap h LEU 121 Ca -0.01 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1bap h LEU 121 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1bap h LEU 121 CO 0.09 0.43 -0.13 0.22 0.09 0.00 0.00 178.44 179.14 1bap h TYR 122 N 0.41 0.74 -0.34 1.13 3.20 -1.11 -1.50 116.97 119.51 1bap h TYR 122 Ca 0.12 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1bap h TYR 122 Cb 0.10 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1bap h TYR 122 CO -0.02 0.86 0.06 -0.22 -1.64 0.00 0.00 178.16 177.20 1bap h LYS 123 N 0.41 0.17 -0.51 1.82 3.64 -1.19 -1.08 116.57 119.82 1bap h LYS 123 Ca 0.07 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 1bap h LYS 123 Cb 0.65 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1bap h LYS 123 CO 0.04 0.11 -0.17 1.49 -2.27 0.00 0.00 179.45 178.66 1bap h GLU 124 N 0.17 1.01 -0.40 1.90 4.57 -1.23 -1.72 114.58 118.87 1bap h GLU 124 Ca 0.16 -0.40 0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1bap h GLU 124 Cb 0.18 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 1bap h GLU 124 CO -0.22 1.09 0.05 1.98 -1.18 0.00 0.00 179.01 180.73 1bap h MET 125 N 0.88 0.16 -0.83 1.92 4.05 -0.89 -1.97 114.93 118.24 1bap h MET 125 Ca 0.12 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1bap h MET 125 Cb 0.74 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 1bap h MET 125 CO 0.06 0.10 0.40 1.96 0.23 0.00 0.00 176.91 179.66 1bap h GLN 126 N 0.16 1.19 -0.85 0.39 4.20 -0.96 -2.19 115.11 117.05 1bap h GLN 126 Ca 0.20 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1bap h GLN 126 Cb 0.26 -0.21 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1bap h GLN 126 CO -0.29 0.92 0.51 -0.22 -0.67 0.00 0.00 178.83 179.08 1bap h LYS 127 N 1.18 0.86 0.00 1.46 3.64 -0.86 -2.32 116.57 120.53 1bap h LYS 127 Ca 0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1bap h LYS 127 Cb 0.12 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1bap h LYS 127 CO -0.04 0.57 -0.34 0.00 -2.27 0.00 0.00 179.45 177.38 1bap h ARG 128 N 0.89 0.00 -0.56 1.90 3.08 -1.08 -3.48 114.38 115.13 1bap h ARG 128 Ca 0.39 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.37 1bap h ARG 128 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1bap h ARG 128 CO -0.21 0.00 -0.09 0.41 -1.07 0.00 0.00 179.97 179.01 1bap n GLY 129 N 1.23 0.25 3.76 0.04 0.00 -0.85 -4.99 105.19 104.64 1bap n GLY 129 Ca 0.04 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1bap n GLY 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bap s TRP 130 N -2.22 2.42 -0.38 1.61 0.51 -1.17 -4.95 118.94 114.77 1bap s TRP 130 Ca 0.00 1.28 -0.29 0.00 -2.12 0.00 0.00 56.10 54.98 1bap s TRP 130 Cb -0.00 -3.90 0.02 0.00 -0.81 0.00 0.00 33.47 28.78 1bap s TRP 130 CO 0.01 -2.94 1.07 0.34 -0.51 0.00 0.00 176.95 174.92 1bap s ASP 131 N -0.58 6.80 0.37 2.95 3.68 -1.26 -4.89 116.67 123.73 1bap s ASP 131 Ca 0.63 0.79 0.15 0.00 2.13 0.00 0.00 52.55 56.25 1bap s ASP 131 Cb -0.43 -2.53 1.01 0.00 -1.45 0.00 0.00 42.92 39.51 1bap s ASP 131 CO 0.55 -1.00 1.76 1.62 0.13 0.00 0.00 175.17 178.23 1bap h VAL 132 N 5.91 0.54 -0.68 1.11 3.04 -1.93 -1.02 116.25 123.21 1bap h VAL 132 Ca -0.22 -0.16 0.11 0.00 -1.01 0.00 0.00 66.70 65.42 1bap h VAL 132 Cb 1.06 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.32 1bap h VAL 132 CO 1.06 0.09 0.46 0.11 -1.01 0.00 0.00 177.57 178.27 1bap h LYS 133 N 0.48 0.47 -0.22 4.17 1.57 -2.02 -2.40 116.57 118.61 1bap h LYS 133 Ca 0.61 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1bap h LYS 133 Cb 1.38 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1bap h LYS 133 CO -0.36 0.31 -0.00 -0.85 -0.57 0.00 0.00 179.45 177.98 1bap n GLU 134 N -4.48 2.69 -4.22 3.15 0.28 -0.40 -4.98 120.64 112.68 1bap n GLU 134 Ca 0.12 -2.81 -0.25 0.00 -0.16 0.00 0.00 57.16 54.05 1bap n GLU 134 Cb 0.40 -1.80 -0.07 0.00 1.43 0.00 0.00 31.44 31.40 1bap n GLU 134 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1bap s SER 135 N -2.07 4.77 0.05 -1.84 0.01 -0.90 -0.85 113.70 112.85 1bap s SER 135 Ca 0.41 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 1bap s SER 135 Cb 0.33 -1.00 0.02 0.00 0.21 0.00 0.00 66.02 65.58 1bap s SER 135 CO 0.08 0.06 0.32 0.00 0.41 0.00 0.00 173.24 174.11 1bap s ALA 136 N -1.88 -0.72 -0.19 1.44 0.00 -0.40 -4.96 121.76 115.04 1bap s ALA 136 Ca 0.29 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1bap s ALA 136 Cb -0.09 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1bap s ALA 136 CO 0.19 -0.43 0.16 0.08 0.00 0.00 0.00 175.76 175.76 1bap s VAL 137 N -2.64 5.39 -0.36 0.00 1.01 -0.64 -0.56 120.40 122.60 1bap s VAL 137 Ca -0.04 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1bap s VAL 137 Cb -0.01 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1bap s VAL 137 CO -0.04 0.44 0.17 -0.32 0.00 0.00 0.00 175.10 175.35 1bap s MET 138 N 0.30 2.80 -0.42 2.72 0.00 0.13 -0.95 119.30 123.88 1bap s MET 138 Ca 0.10 -1.08 -0.12 0.00 0.00 0.00 0.00 55.69 54.59 1bap s MET 138 Cb -0.11 -3.63 0.06 0.00 0.00 0.00 0.00 34.83 31.14 1bap s MET 138 CO -0.00 -0.66 0.30 0.00 0.00 0.00 0.00 175.02 174.65 1bap s ALA 139 N 1.51 3.40 -0.41 4.11 0.00 0.36 0.18 121.76 130.92 1bap s ALA 139 Ca 0.01 -1.98 -0.22 0.00 0.00 0.00 0.00 51.96 49.77 1bap s ALA 139 Cb -0.19 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1bap s ALA 139 CO 0.05 -1.59 0.74 0.42 0.00 0.00 0.00 175.76 175.38 1bap s ILE 140 N 1.56 4.74 0.15 0.00 1.01 0.18 -0.83 121.20 128.02 1bap s ILE 140 Ca 0.03 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.29 1bap s ILE 140 Cb -0.22 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1bap s ILE 140 CO 0.06 -0.54 -0.00 0.42 0.00 0.00 0.00 174.94 174.87 1bap s THR 141 N 3.06 3.79 -0.45 2.92 -4.23 -0.18 -4.37 115.64 116.18 1bap s THR 141 Ca 0.28 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.56 1bap s THR 141 Cb -0.13 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.10 1bap s THR 141 CO 0.19 -0.05 0.60 0.00 -0.54 0.00 0.00 174.62 174.83 1bap n ALA 142 N 0.07 2.80 0.38 3.99 0.00 -1.26 -1.26 120.51 125.22 1bap n ALA 142 Ca -0.10 -3.73 0.13 0.00 0.00 0.00 0.00 53.44 49.74 1bap n ALA 142 Cb 0.54 -0.84 0.52 0.00 0.00 0.00 0.00 19.45 19.68 1bap n ALA 142 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1bap h ASN 143 N 3.89 0.00 1.35 0.00 2.35 -1.94 -2.22 115.58 119.02 1bap h ASN 143 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1bap h ASN 143 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1bap h ASN 143 CO 0.55 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 176.00 1bap h GLU 144 N 0.00 0.00 -4.75 0.81 3.07 -1.99 -3.41 114.58 108.31 1bap h GLU 144 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 1bap h GLU 144 Cb 0.38 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.03 1bap h GLU 144 CO 0.00 0.00 -0.59 -1.17 -1.40 0.00 0.00 179.01 175.85 1bap s LEU 145 N -4.99 4.10 0.17 1.33 2.96 -0.83 -5.00 118.68 116.41 1bap s LEU 145 Ca 0.08 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 53.02 1bap s LEU 145 Cb 0.10 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.95 1bap s LEU 145 CO 0.56 -0.24 1.64 -0.78 -1.32 0.00 0.00 176.35 176.21 1bap h ASP 146 N 8.29 -0.62 -0.96 3.68 3.58 -1.83 0.75 116.42 129.29 1bap h ASP 146 Ca -0.30 0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.33 1bap h ASP 146 Cb 1.12 0.34 -0.05 0.00 1.72 0.00 0.00 39.33 42.46 1bap h ASP 146 CO 0.62 -0.22 0.63 0.00 -2.88 0.00 0.00 179.24 177.39 1bap h THR 147 N -0.12 1.19 -0.33 2.25 1.03 -1.93 -0.51 112.91 114.49 1bap h THR 147 Ca 0.19 -0.43 -0.10 0.00 -0.01 0.00 0.00 66.41 66.06 1bap h THR 147 Cb 0.41 -0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 67.31 1bap h THR 147 CO -0.45 0.23 -0.19 0.00 -0.01 0.00 0.00 175.52 175.09 1bap h ALA 148 N 1.38 0.47 -0.54 0.00 0.00 -1.53 -2.94 119.26 116.09 1bap h ALA 148 Ca 0.37 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bap h ALA 148 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1bap h ALA 148 CO -0.11 0.41 0.36 -0.09 0.00 0.00 0.00 179.25 179.82 1bap h ARG 149 N 0.49 0.71 0.00 0.00 2.43 -0.59 -2.05 114.38 115.36 1bap h ARG 149 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1bap h ARG 149 Cb 0.74 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1bap h ARG 149 CO 0.06 0.47 -0.38 0.00 -1.51 0.00 0.00 179.97 178.60 1bap h ARG 150 N 0.73 0.00 0.21 0.20 3.08 -1.10 -1.00 114.38 116.49 1bap h ARG 150 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1bap h ARG 150 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1bap h ARG 150 CO -0.05 0.38 -0.10 0.00 -1.07 0.00 0.00 179.97 179.13 1bap h ARG 151 N 0.00 -0.27 -0.08 0.04 3.08 -1.25 -0.48 114.38 115.41 1bap h ARG 151 Ca -0.00 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1bap h ARG 151 Cb 0.84 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1bap h ARG 151 CO 0.05 0.12 -0.63 1.79 -1.07 0.00 0.00 179.97 180.23 1bap h THR 152 N -0.81 1.38 -0.36 2.04 1.35 -1.34 -0.72 112.91 114.45 1bap h THR 152 Ca -0.03 -2.01 -0.05 0.00 -0.55 0.00 0.00 66.41 63.78 1bap h THR 152 Cb 0.51 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1bap h THR 152 CO 0.05 0.60 0.05 0.74 -0.25 0.00 0.00 175.52 176.70 1bap h THR 153 N 0.22 1.24 -0.29 6.82 2.02 -1.25 -1.16 112.91 120.51 1bap h THR 153 Ca -0.01 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.35 1bap h THR 153 Cb 1.15 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1bap h THR 153 CO 0.10 0.29 0.01 1.23 0.37 0.00 0.00 175.52 177.53 1bap h GLY 154 N 0.43 0.30 0.94 2.16 0.00 -0.80 0.24 103.07 106.34 1bap h GLY 154 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1bap h GLY 154 CO 0.01 -0.05 -0.08 0.23 0.00 0.00 0.00 176.54 176.65 1bap h SER 155 N 0.10 -0.19 -0.78 0.19 0.87 -0.91 -1.25 113.55 111.58 1bap h SER 155 Ca 0.14 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1bap h SER 155 Cb 0.18 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1bap h SER 155 CO -0.23 -0.08 0.51 0.24 -0.53 0.00 0.00 176.83 176.75 1bap h MET 156 N -0.29 0.99 -0.39 2.24 2.86 -0.94 -1.19 114.93 118.21 1bap h MET 156 Ca -0.02 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1bap h MET 156 Cb 0.22 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1bap h MET 156 CO 0.04 0.65 0.25 -0.44 1.06 0.00 0.00 176.91 178.47 1bap h ASP 157 N 1.02 0.42 -0.53 1.22 3.32 -0.38 -1.26 116.42 120.22 1bap h ASP 157 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1bap h ASP 157 Cb -0.05 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1bap h ASP 157 CO -0.09 0.30 0.31 0.00 -1.72 0.00 0.00 179.24 178.05 1bap h ALA 158 N 1.15 0.68 -0.69 3.45 0.00 -0.85 -0.65 119.26 122.35 1bap h ALA 158 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1bap h ALA 158 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1bap h ALA 158 CO -0.04 0.18 0.29 -0.07 0.00 0.00 0.00 179.25 179.61 1bap h LEU 159 N 0.71 0.94 -0.56 0.00 3.38 -0.79 -1.10 115.31 117.89 1bap h LEU 159 Ca 0.19 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1bap h LEU 159 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1bap h LEU 159 CO -0.03 0.84 -0.25 0.11 0.09 0.00 0.00 178.44 179.20 1bap h LYS 160 N 0.98 0.89 -0.09 1.13 1.57 -1.13 0.24 116.57 120.16 1bap h LYS 160 Ca 0.23 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1bap h LYS 160 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1bap h LYS 160 CO -0.02 1.03 -0.29 0.00 -0.57 0.00 0.00 179.45 179.60 1bap h ALA 161 N 0.95 1.35 0.00 3.86 0.00 -0.92 -0.65 119.26 123.85 1bap h ALA 161 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bap h ALA 161 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1bap h ALA 161 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1bap h ALA 162 N 1.56 1.00 0.00 0.00 0.00 -0.83 -3.47 119.26 117.52 1bap h ALA 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bap h ALA 162 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bap h ALA 162 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1bap n GLY 163 N 1.26 1.25 3.71 0.00 0.00 -0.25 -5.07 105.19 106.07 1bap n GLY 163 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1bap n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bap s PHE 164 N -2.00 3.06 0.04 1.61 2.19 0.01 -4.92 117.98 117.96 1bap s PHE 164 Ca 0.00 0.85 -0.31 0.00 0.33 0.00 0.00 56.93 57.80 1bap s PHE 164 Cb 0.00 -3.70 -0.10 0.00 -1.31 0.00 0.00 43.02 37.90 1bap s PHE 164 CO 0.00 -2.54 1.91 -0.35 1.83 0.00 0.00 175.22 176.07 1bap n PRO 165 N 4.51 2.68 -0.28 10.12 -0.04 -1.26 -4.29 135.00 146.43 1bap n PRO 165 Ca 0.12 0.98 0.15 0.00 -0.04 0.00 0.00 63.50 64.71 1bap n PRO 165 Cb 0.42 -2.89 0.41 0.00 -0.04 0.00 0.00 33.50 31.40 1bap n PRO 165 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bap h GLU 166 N 9.64 0.60 0.00 0.54 4.81 -1.94 0.04 114.58 128.28 1bap h GLU 166 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1bap h GLU 166 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bap h GLU 166 CO 0.94 0.40 0.00 1.17 -0.73 0.00 0.00 179.01 180.79 1bap n LYS 167 N -4.59 0.18 -0.55 1.92 4.81 -1.26 -2.60 118.16 116.07 1bap n LYS 167 Ca 0.20 0.39 0.08 0.00 -0.87 0.00 0.00 58.31 58.11 1bap n LYS 167 Cb 0.57 -1.84 0.30 0.00 0.02 0.00 0.00 35.03 34.09 1bap n LYS 167 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1bap n GLN 168 N -2.18 3.56 -3.69 1.64 6.02 0.00 -4.88 117.38 117.85 1bap n GLN 168 Ca 0.02 -2.82 -0.39 0.00 -0.01 0.00 0.00 57.00 53.81 1bap n GLN 168 Cb 0.24 -1.87 -0.12 0.00 1.02 0.00 0.00 30.24 29.50 1bap n GLN 168 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bap s ILE 169 N -2.34 4.22 -0.19 5.09 1.01 -1.07 -1.62 121.20 126.30 1bap s ILE 169 Ca 0.44 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1bap s ILE 169 Cb 0.33 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1bap s ILE 169 CO 0.15 -0.08 -0.05 -0.31 0.00 0.00 0.00 174.94 174.65 1bap s TYR 170 N 1.51 2.96 -0.04 3.97 1.51 -0.12 -4.99 117.35 122.15 1bap s TYR 170 Ca 0.02 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.35 1bap s TYR 170 Cb -0.18 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1bap s TYR 170 CO 0.04 -0.36 0.16 -0.65 -1.11 0.00 0.00 175.55 173.63 1bap s GLN 171 N 1.05 3.38 -0.12 -0.62 -0.21 -1.26 -0.48 119.66 121.40 1bap s GLN 171 Ca 0.01 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.03 1bap s GLN 171 Cb -0.15 -3.08 0.05 0.00 1.00 0.00 0.00 33.01 30.83 1bap s GLN 171 CO 0.00 0.70 0.26 0.54 -2.12 0.00 0.00 175.29 174.67 1bap s VAL 172 N -1.23 -0.12 0.23 1.09 0.11 -0.01 -4.95 120.40 115.52 1bap s VAL 172 Ca 0.24 0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.16 1bap s VAL 172 Cb -0.12 -0.41 -0.09 0.00 -1.53 0.00 0.00 36.38 34.23 1bap s VAL 172 CO 0.14 0.07 1.01 -2.16 -3.33 0.00 0.00 175.10 170.83 1bap s PRO 173 N 1.52 4.74 -0.06 1.54 0.04 -1.26 -1.01 135.00 140.51 1bap s PRO 173 Ca -0.07 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1bap s PRO 173 Cb -0.11 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1bap s PRO 173 CO -0.09 0.34 0.06 -0.08 0.04 0.00 0.00 177.00 177.27 1bap s THR 174 N -0.91 4.69 -0.25 1.26 -1.32 -0.39 -4.76 115.64 113.95 1bap s THR 174 Ca 0.44 -0.24 0.20 0.00 -1.21 0.00 0.00 61.69 60.87 1bap s THR 174 Cb -0.28 -3.06 0.08 0.00 -1.51 0.00 0.00 72.50 67.74 1bap s THR 174 CO 0.35 0.50 1.25 0.11 -2.21 0.00 0.00 174.62 174.62 1bap h LYS 175 N 4.67 0.00 -3.99 7.08 1.57 -1.89 -3.45 116.57 120.57 1bap h LYS 175 Ca -0.51 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.08 1bap h LYS 175 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1bap h LYS 175 CO 0.58 0.17 -0.71 -1.54 -0.57 0.00 0.00 179.45 177.39 1bap s SER 176 N -5.94 0.26 -1.33 0.86 1.04 -1.26 -5.06 113.70 102.26 1bap s SER 176 Ca 0.02 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1bap s SER 176 Cb 0.08 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.39 1bap s SER 176 CO 0.75 -0.23 2.29 0.59 0.98 0.00 0.00 173.24 177.62 1bap n ASN 177 N 1.89 7.29 -2.35 7.02 3.02 -1.26 -4.15 115.26 126.72 1bap n ASN 177 Ca -0.21 -3.09 -0.09 0.00 -0.03 0.00 0.00 54.58 51.15 1bap n ASN 177 Cb 0.56 -1.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 1bap n ASN 177 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1bap n ASP 178 N 2.45 -1.18 0.13 6.41 3.85 -1.26 -4.79 116.55 122.16 1bap n ASP 178 Ca 0.58 -2.26 -0.14 0.00 -0.71 0.00 0.00 54.79 52.26 1bap n ASP 178 Cb 0.28 2.09 -0.08 0.00 -1.35 0.00 0.00 41.12 42.05 1bap n ASP 178 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1bap h ILE 179 N 1.71 0.83 -0.47 2.12 2.04 -1.90 -1.42 117.51 120.42 1bap h ILE 179 Ca -0.21 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1bap h ILE 179 Cb 0.85 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1bap h ILE 179 CO 0.27 0.08 0.16 -0.65 0.00 0.00 0.00 178.15 178.01 1bap h PRO 180 N -0.48 0.32 0.44 2.37 0.11 -1.94 0.35 132.00 133.17 1bap h PRO 180 Ca -0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1bap h PRO 180 Cb 0.36 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1bap h PRO 180 CO 0.05 0.21 -0.24 0.78 -0.21 0.00 0.00 178.00 178.59 1bap h GLY 181 N 0.33 -0.66 1.25 -0.55 0.00 -1.77 -2.25 103.07 99.42 1bap h GLY 181 Ca 0.22 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1bap h GLY 181 CO -0.23 -0.25 0.18 0.00 0.00 0.00 0.00 176.54 176.24 1bap h ALA 182 N -0.09 1.15 -0.05 3.60 0.00 -0.94 -2.37 119.26 120.57 1bap h ALA 182 Ca -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1bap h ALA 182 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bap h ALA 182 CO 0.07 0.58 -0.12 0.35 0.00 0.00 0.00 179.25 180.13 1bap h PHE 183 N 0.91 -0.31 -0.19 0.00 3.57 -0.22 0.11 116.94 120.80 1bap h PHE 183 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1bap h PHE 183 Cb 0.28 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1bap h PHE 183 CO 0.02 -0.18 0.02 -0.44 -2.23 0.00 0.00 178.31 175.50 1bap h ASP 184 N -0.18 -0.03 0.12 0.41 3.45 -1.26 -0.48 116.42 118.45 1bap h ASP 184 Ca 0.06 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1bap h ASP 184 Cb 0.26 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1bap h ASP 184 CO -0.16 0.01 -0.06 0.00 -1.57 0.00 0.00 179.24 177.46 1bap h ALA 185 N 1.15 -0.17 -0.66 3.45 0.00 -1.25 -2.87 119.26 118.92 1bap h ALA 185 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bap h ALA 185 Cb 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1bap h ALA 185 CO -0.14 -0.58 0.35 0.00 0.00 0.00 0.00 179.25 178.89 1bap h ALA 186 N 0.67 0.85 -0.62 0.00 0.00 -0.85 -2.66 119.26 116.65 1bap h ALA 186 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1bap h ALA 186 Cb 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1bap h ALA 186 CO 0.03 0.38 0.32 -0.97 0.00 0.00 0.00 179.25 179.00 1bap h ASN 187 N 0.91 0.44 0.37 0.00 -1.24 -1.07 0.96 115.58 115.95 1bap h ASN 187 Ca 0.23 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.20 1bap h ASN 187 Cb 0.07 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1bap h ASN 187 CO -0.03 0.28 -0.39 0.77 -1.29 0.00 0.00 177.43 176.77 1bap h SER 188 N 0.58 0.03 0.51 1.15 4.64 -1.25 -2.81 113.55 116.41 1bap h SER 188 Ca 0.28 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.30 1bap h SER 188 Cb 0.22 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1bap h SER 188 CO -0.20 0.42 -1.33 -0.03 -0.87 0.00 0.00 176.83 174.82 1bap h MET 189 N 0.03 0.36 -0.38 4.77 1.85 -1.04 -3.34 114.93 117.18 1bap h MET 189 Ca -0.00 -0.61 0.02 0.00 -0.61 0.00 0.00 59.70 58.50 1bap h MET 189 Cb 0.71 0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.94 1bap h MET 189 CO 0.05 1.29 0.21 -0.07 -0.40 0.00 0.00 176.91 177.99 1bap h LEU 190 N 0.10 0.33 -0.59 3.39 3.38 -0.58 -2.13 115.31 119.20 1bap h LEU 190 Ca -0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1bap h LEU 190 Cb 2.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1bap h LEU 190 CO 0.23 0.24 0.00 1.33 0.09 0.00 0.00 178.44 180.32 1bap n VAL 191 N -4.89 0.78 0.82 1.22 0.24 -1.13 -2.29 118.33 113.07 1bap n VAL 191 Ca 0.01 0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 1bap n VAL 191 Cb 0.07 -1.06 0.37 0.00 -1.47 0.00 0.00 33.84 31.75 1bap n VAL 191 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bap n GLN 192 N -2.26 0.13 -3.33 7.34 6.02 -0.81 -4.49 117.38 119.98 1bap n GLN 192 Ca 0.03 0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.83 1bap n GLN 192 Cb 0.27 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 1bap n GLN 192 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1bap n HIS 193 N -1.81 -0.25 0.28 1.08 8.25 -0.97 -4.93 115.22 116.87 1bap n HIS 193 Ca 0.05 -3.51 0.17 0.00 -0.26 0.00 0.00 57.72 54.18 1bap n HIS 193 Cb 0.38 -0.10 0.70 0.00 1.12 0.00 0.00 29.99 32.10 1bap n HIS 193 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bap h PRO 194 N 4.81 0.00 0.00 -0.41 0.13 -1.79 -2.61 132.00 132.13 1bap h PRO 194 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bap h PRO 194 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1bap h PRO 194 CO 0.45 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.27 1bap h GLU 195 N 0.00 0.00 -6.21 0.86 9.09 -1.93 -3.44 114.58 112.94 1bap h GLU 195 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 1bap h GLU 195 Cb 0.50 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.56 1bap h GLU 195 CO 0.00 0.00 0.16 0.08 0.05 0.00 0.00 179.01 179.30 1bap s VAL 196 N -3.44 4.87 -0.18 -1.06 1.01 -0.99 -4.91 120.40 115.70 1bap s VAL 196 Ca 0.04 1.62 0.18 0.00 0.00 0.00 0.00 61.98 63.81 1bap s VAL 196 Cb 0.09 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 1bap s VAL 196 CO 0.53 0.29 0.11 0.29 0.00 0.00 0.00 175.10 176.32 1bap n LYS 197 N 3.33 0.81 -3.84 2.72 4.76 -0.03 -4.96 118.16 120.95 1bap n LYS 197 Ca -0.01 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.28 1bap n LYS 197 Cb 0.51 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.06 1bap n LYS 197 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1bap s HIS 198 N -2.57 -0.02 -0.05 2.13 3.76 -1.11 -4.87 115.29 112.57 1bap s HIS 198 Ca -0.09 0.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1bap s HIS 198 Cb 0.06 -0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1bap s HIS 198 CO 0.80 -0.03 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.86 1bap s TRP 199 N 0.26 2.16 -0.16 1.40 0.52 -0.69 -1.28 118.94 121.14 1bap s TRP 199 Ca -0.02 -0.64 -0.12 0.00 0.02 0.00 0.00 56.10 55.34 1bap s TRP 199 Cb -0.03 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 1bap s TRP 199 CO -0.01 -0.20 0.24 -0.51 0.02 0.00 0.00 176.95 176.49 1bap s LEU 200 N -0.09 4.25 -0.28 2.99 1.43 0.27 -1.55 118.68 125.70 1bap s LEU 200 Ca -0.04 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1bap s LEU 200 Cb -0.13 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1bap s LEU 200 CO 0.03 0.15 0.03 -0.63 0.23 0.00 0.00 176.35 176.17 1bap s ILE 201 N 0.27 3.60 -0.16 -0.59 1.01 -0.25 0.22 121.20 125.30 1bap s ILE 201 Ca 0.14 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1bap s ILE 201 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1bap s ILE 201 CO 0.02 0.13 0.05 -0.69 0.00 0.00 0.00 174.94 174.45 1bap s VAL 202 N 1.44 4.71 0.01 2.92 1.01 0.13 -4.11 120.40 126.51 1bap s VAL 202 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1bap s VAL 202 Cb -0.17 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1bap s VAL 202 CO 0.00 0.50 0.65 -0.83 0.00 0.00 0.00 175.10 175.42 1bap s GLY 203 N 0.08 -0.59 0.52 4.51 0.00 -1.26 -0.64 107.32 109.94 1bap s GLY 203 Ca 0.05 1.07 0.30 0.00 0.00 0.00 0.00 44.72 46.14 1bap s GLY 203 CO 0.01 0.72 1.97 0.00 0.00 0.00 0.00 173.10 175.80 1bap h MET 204 N 2.72 0.00 -3.73 2.90 -0.00 -1.86 -3.44 114.93 111.52 1bap h MET 204 Ca -0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.31 1bap h MET 204 Cb 1.19 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.70 1bap h MET 204 CO 0.39 0.09 -0.13 0.54 -0.00 0.00 0.00 176.91 177.80 1bap s ASN 205 N -5.89 0.09 0.15 -0.10 2.20 -1.26 -4.51 114.94 105.63 1bap s ASN 205 Ca -0.00 -1.05 -0.26 0.00 -0.94 0.00 0.00 52.86 50.60 1bap s ASN 205 Cb 0.10 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 1bap s ASN 205 CO 0.57 -1.19 1.59 0.44 -2.94 0.00 0.00 177.10 175.57 1bap h ASP 206 N 2.23 -1.24 -0.80 3.54 3.32 -1.51 -2.40 116.42 119.56 1bap h ASP 206 Ca -0.27 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.03 1bap h ASP 206 Cb 1.25 0.54 -0.06 0.00 0.22 0.00 0.00 39.33 41.28 1bap h ASP 206 CO 0.37 -0.37 0.49 0.28 -1.72 0.00 0.00 179.24 178.29 1bap h SER 207 N -0.35 0.76 -0.19 6.45 0.02 -1.90 0.59 113.55 118.92 1bap h SER 207 Ca 0.13 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1bap h SER 207 Cb 0.58 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1bap h SER 207 CO -0.49 0.49 0.09 0.74 -1.14 0.00 0.00 176.83 176.52 1bap h THR 208 N 0.89 1.14 -0.51 -2.27 2.02 -1.72 -1.09 112.91 111.37 1bap h THR 208 Ca 0.35 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1bap h THR 208 Cb 0.16 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1bap h THR 208 CO -0.17 0.13 -0.00 0.58 0.37 0.00 0.00 175.52 176.43 1bap h VAL 209 N 0.18 1.26 -0.64 3.16 2.07 -1.26 -2.21 116.25 118.80 1bap h VAL 209 Ca 0.07 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1bap h VAL 209 Cb 0.13 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1bap h VAL 209 CO -0.01 0.38 0.41 -0.07 0.02 0.00 0.00 177.57 178.31 1bap h LEU 210 N 0.77 0.69 -0.40 2.57 3.38 -0.74 0.11 115.31 121.69 1bap h LEU 210 Ca 0.15 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1bap h LEU 210 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1bap h LEU 210 CO 0.03 0.49 0.21 1.23 0.09 0.00 0.00 178.44 180.48 1bap h GLY 211 N 0.82 0.55 0.62 0.83 0.00 -0.96 0.14 103.07 105.07 1bap h GLY 211 Ca 0.25 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1bap h GLY 211 CO -0.08 0.11 0.06 -1.33 0.00 0.00 0.00 176.54 175.30 1bap h GLY 212 N 0.42 0.35 0.96 4.60 0.00 -0.72 -2.08 103.07 106.61 1bap h GLY 212 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1bap h GLY 212 CO -0.11 -0.02 0.08 -2.08 0.00 0.00 0.00 176.54 174.41 1bap h VAL 213 N 0.16 1.07 -0.90 4.60 2.07 -0.30 -2.46 116.25 120.50 1bap h VAL 213 Ca 0.15 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1bap h VAL 213 Cb 0.16 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1bap h VAL 213 CO -0.20 0.06 0.54 0.03 0.02 0.00 0.00 177.57 178.03 1bap h ARG 214 N 0.15 0.86 -0.56 1.57 2.47 -0.84 -2.04 114.38 115.99 1bap h ARG 214 Ca 0.05 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1bap h ARG 214 Cb 0.03 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 1bap h ARG 214 CO -0.01 0.57 0.20 0.00 0.56 0.00 0.00 179.97 181.29 1bap h ALA 215 N 1.49 0.73 -0.66 0.04 0.00 -1.13 -2.62 119.26 117.10 1bap h ALA 215 Ca 0.44 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1bap h ALA 215 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1bap h ALA 215 CO -0.25 0.36 0.20 1.79 0.00 0.00 0.00 179.25 181.35 1bap h THR 216 N 0.77 1.24 -0.25 0.00 1.35 -0.95 -1.50 112.91 113.57 1bap h THR 216 Ca 0.18 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 65.16 1bap h THR 216 Cb 0.24 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1bap h THR 216 CO -0.01 0.33 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.25 1bap h GLU 217 N 0.98 0.38 0.00 4.72 5.08 -1.16 -1.65 114.58 122.93 1bap h GLU 217 Ca 0.22 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1bap h GLU 217 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1bap h GLU 217 CO -0.01 0.41 -0.33 0.78 -1.00 0.00 0.00 179.01 178.87 1bap h GLY 218 N 0.70 0.00 -3.32 -3.84 0.00 -0.93 -2.42 103.07 93.27 1bap h GLY 218 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1bap h GLY 218 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1bap n GLN 219 N -3.41 4.41 -2.13 4.80 1.13 -0.82 -4.94 117.38 116.42 1bap n GLN 219 Ca 0.00 -2.95 -0.05 0.00 -1.94 0.00 0.00 57.00 52.06 1bap n GLN 219 Cb 0.51 -2.13 -0.00 0.00 0.11 0.00 0.00 30.24 28.73 1bap n GLN 219 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bap n GLY 220 N 0.77 0.16 3.80 1.08 0.00 -0.91 -5.04 105.19 105.05 1bap n GLY 220 Ca 0.26 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1bap n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bap s PHE 221 N -2.30 3.66 0.30 1.61 0.08 -0.68 -5.03 117.98 115.62 1bap s PHE 221 Ca 0.00 0.96 -0.00 0.00 0.12 0.00 0.00 56.93 58.01 1bap s PHE 221 Cb -0.00 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 1bap s PHE 221 CO 0.01 0.49 0.51 -1.59 -0.10 0.00 0.00 175.22 174.54 1bap s LYS 222 N -0.54 3.51 0.30 0.44 -2.85 -1.26 -4.28 119.74 115.06 1bap s LYS 222 Ca 0.24 -0.30 0.05 0.00 -1.00 0.00 0.00 55.97 54.97 1bap s LYS 222 Cb -0.16 -2.70 0.76 0.00 -2.06 0.00 0.00 37.83 33.66 1bap s LYS 222 CO 0.12 0.22 1.73 0.00 0.10 0.00 0.00 175.35 177.52 1bap h ALA 223 N 1.16 1.57 -0.29 0.59 0.00 -1.89 0.18 119.26 120.58 1bap h ALA 223 Ca -0.49 0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.63 1bap h ALA 223 Cb 1.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1bap h ALA 223 CO 0.63 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.87 1bap h ALA 224 N 1.69 2.21 -0.30 0.00 0.00 -1.94 -2.10 119.26 118.82 1bap h ALA 224 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1bap h ALA 224 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bap h ALA 224 CO -0.46 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.16 1bap n ASP 225 N -4.33 2.95 -4.04 0.00 9.92 0.05 -4.86 116.55 116.23 1bap n ASP 225 Ca 0.04 -1.92 -0.25 0.00 -0.53 0.00 0.00 54.79 52.13 1bap n ASP 225 Cb 0.38 -0.19 -0.17 0.00 -0.64 0.00 0.00 41.12 40.51 1bap n ASP 225 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1bap s ILE 226 N -1.62 1.19 -0.18 0.53 -1.09 -0.79 -1.71 121.20 117.54 1bap s ILE 226 Ca 0.36 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1bap s ILE 226 Cb 0.21 -1.08 0.03 0.00 -1.58 0.00 0.00 42.46 40.04 1bap s ILE 226 CO 0.30 0.37 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.62 1bap s ILE 227 N 0.58 1.66 -0.09 2.92 1.01 -0.59 -4.58 121.20 122.11 1bap s ILE 227 Ca -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1bap s ILE 227 Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1bap s ILE 227 CO 0.04 0.33 -0.10 -0.83 0.00 0.00 0.00 174.94 174.38 1bap s GLY 228 N 1.42 0.80 -0.23 6.18 0.00 0.09 -1.09 107.32 114.49 1bap s GLY 228 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 1bap s GLY 228 CO -0.10 0.48 -0.10 -0.42 0.00 0.00 0.00 173.10 172.97 1bap s ILE 229 N 1.21 2.61 0.88 0.90 1.01 -1.26 -0.42 121.20 126.13 1bap s ILE 229 Ca -0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.40 1bap s ILE 229 Cb -0.14 -2.30 0.13 0.00 0.01 0.00 0.00 42.46 40.16 1bap s ILE 229 CO -0.03 0.25 1.20 -0.83 0.00 0.00 0.00 174.94 175.53 1bap s GLY 230 N 1.29 1.63 -0.06 6.18 0.00 -0.37 -4.77 107.32 111.21 1bap s GLY 230 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1bap s GLY 230 CO -0.06 -0.17 -0.16 -0.42 0.00 0.00 0.00 173.10 172.28 1bap s ILE 231 N -3.56 1.42 0.00 0.90 1.01 -1.26 -0.92 121.20 118.79 1bap s ILE 231 Ca 0.65 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1bap s ILE 231 Cb -0.10 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1bap s ILE 231 CO 0.51 0.41 0.00 0.59 0.00 0.00 0.00 174.94 176.46 1bap n ASN 232 N 3.48 0.00 0.00 3.58 4.13 0.79 -1.27 115.26 125.97 1bap n ASN 232 Ca -0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.06 1bap n ASN 232 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1bap n ASN 232 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bap n GLY 233 N 0.00 2.12 0.32 7.41 0.00 -1.18 -2.77 105.19 111.09 1bap n GLY 233 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1bap n GLY 233 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bap h VAL 234 N 0.00 0.88 0.00 1.61 -1.51 -1.94 -0.48 116.25 114.81 1bap h VAL 234 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1bap h VAL 234 Cb 0.00 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1bap h VAL 234 CO 0.00 0.01 0.00 0.44 -1.23 0.00 0.00 177.57 176.79 1bap h ASP 235 N 0.05 0.00 -0.02 4.19 3.32 -1.91 -3.29 116.42 118.76 1bap h ASP 235 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1bap h ASP 235 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1bap h ASP 235 CO -0.01 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.43 1bap n ALA 236 N -1.91 2.66 -0.23 3.45 0.00 -0.19 -4.63 120.51 119.67 1bap n ALA 236 Ca 0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 1bap n ALA 236 Cb 0.36 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 18.98 1bap n ALA 236 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bap h VAL 237 N 3.93 1.23 -0.55 0.00 2.07 -1.65 -1.59 116.25 119.70 1bap h VAL 237 Ca 0.00 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1bap h VAL 237 Cb 0.88 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1bap h VAL 237 CO 0.00 0.28 0.25 0.77 0.02 0.00 0.00 177.57 178.89 1bap h SER 238 N 0.89 0.70 -0.11 0.57 4.64 -1.88 -1.90 113.55 116.46 1bap h SER 238 Ca 0.21 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1bap h SER 238 Cb 0.19 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1bap h SER 238 CO -0.02 0.61 -0.10 -0.08 -0.87 0.00 0.00 176.83 176.37 1bap h GLU 239 N 0.77 0.25 0.00 4.77 4.57 -1.67 -3.10 114.58 120.17 1bap h GLU 239 Ca 0.19 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1bap h GLU 239 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1bap h GLU 239 CO -0.02 0.66 0.00 -0.07 -1.18 0.00 0.00 179.01 178.40 1bap h LEU 240 N -0.15 0.00 0.00 1.64 3.38 -1.10 -2.92 115.31 116.17 1bap h LEU 240 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bap h LEU 240 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1bap h LEU 240 CO 0.02 0.00 -0.63 0.28 0.09 0.00 0.00 178.44 178.21 1bap h SER 241 N 0.00 0.00 -3.95 -0.43 0.02 -1.27 -3.44 113.55 104.47 1bap h SER 241 Ca 0.00 -0.17 -0.54 0.00 -0.84 0.00 0.00 61.79 60.24 1bap h SER 241 Cb 0.42 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.15 1bap h SER 241 CO 0.00 0.09 0.08 0.29 -1.14 0.00 0.00 176.83 176.15 1bap n LYS 242 N -2.22 0.04 -0.00 3.45 5.02 -1.10 -4.95 118.16 118.40 1bap n LYS 242 Ca 0.03 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1bap n LYS 242 Cb 0.46 -2.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.13 1bap n LYS 242 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bap h ALA 243 N -1.06 0.08 -2.78 7.82 0.00 -1.91 -3.44 119.26 117.96 1bap h ALA 243 Ca -0.45 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 1bap h ALA 243 Cb 1.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1bap h ALA 243 CO 0.43 -0.32 -0.43 -0.65 0.00 0.00 0.00 179.25 178.28 1bap s GLN 244 N -5.41 3.52 0.45 0.00 -0.21 -1.26 -5.08 119.66 111.67 1bap s GLN 244 Ca -0.14 -0.21 -0.23 0.00 0.02 0.00 0.00 55.36 54.79 1bap s GLN 244 Cb 0.05 -3.04 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 1bap s GLN 244 CO 0.68 0.62 1.16 0.00 -2.12 0.00 0.00 175.29 175.63 1bap s ALA 245 N -1.40 3.01 0.02 6.09 0.00 -1.26 -5.04 121.76 123.18 1bap s ALA 245 Ca 0.31 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1bap s ALA 245 Cb -0.13 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1bap s ALA 245 CO 0.20 -0.60 0.00 0.25 0.00 0.00 0.00 175.76 175.61 1bap n THR 246 N -0.37 0.00 0.31 0.00 -2.24 -1.26 -4.88 114.28 105.84 1bap n THR 246 Ca 0.07 -0.08 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1bap n THR 246 Cb 0.48 0.02 0.51 0.00 -2.10 0.00 0.00 70.33 69.24 1bap n THR 246 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bap h GLY 247 N 0.05 0.00 -7.31 3.38 0.00 -1.81 -3.39 103.07 93.99 1bap h GLY 247 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.76 1bap h GLY 247 CO 0.02 0.00 1.10 -0.12 0.00 0.00 0.00 176.54 177.55 1bap s PHE 248 N -3.46 2.36 -0.01 5.60 5.36 -1.26 -0.73 117.98 125.84 1bap s PHE 248 Ca 0.04 -0.24 -0.21 0.00 -0.96 0.00 0.00 56.93 55.56 1bap s PHE 248 Cb 0.08 -4.62 -0.24 0.00 -0.34 0.00 0.00 43.02 37.91 1bap s PHE 248 CO 0.55 -2.02 1.08 -0.92 -1.46 0.00 0.00 175.22 172.45 1bap h TYR 249 N 9.94 0.52 -1.61 10.12 3.20 -0.94 -3.48 116.97 134.73 1bap h TYR 249 Ca -0.19 -0.28 0.06 0.00 3.14 0.00 0.00 58.73 61.46 1bap h TYR 249 Cb 1.04 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1bap h TYR 249 CO 1.15 1.10 0.17 0.41 -1.64 0.00 0.00 178.16 179.35 1bap n GLY 250 N 1.08 0.86 3.20 1.82 0.00 -1.22 -4.25 105.19 106.68 1bap n GLY 250 Ca -0.10 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1bap n GLY 250 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bap s SER 251 N -1.61 -0.25 -0.53 1.61 0.15 -0.05 -1.24 113.70 111.79 1bap s SER 251 Ca 0.06 0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 1bap s SER 251 Cb -0.00 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1bap s SER 251 CO 0.01 -0.25 0.93 -0.76 1.20 0.00 0.00 173.24 174.37 1bap s LEU 252 N -0.49 4.08 -0.27 3.45 1.43 -0.09 -0.55 118.68 126.23 1bap s LEU 252 Ca -0.06 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 1bap s LEU 252 Cb -0.04 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.28 1bap s LEU 252 CO 0.02 -1.18 1.16 -0.22 0.23 0.00 0.00 176.35 176.36 1bap s LEU 253 N 3.89 3.99 0.00 1.79 2.96 0.55 -0.15 118.68 131.71 1bap s LEU 253 Ca 0.32 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1bap s LEU 253 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1bap s LEU 253 CO 0.21 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 1bap n GLY 254 N 3.85 1.23 2.30 7.98 0.00 -1.11 -2.33 105.19 117.12 1bap n GLY 254 Ca 0.13 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 1bap n GLY 254 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bap n SER 255 N 0.00 1.13 0.24 1.61 7.64 -1.26 -4.90 113.62 118.08 1bap n SER 255 Ca 0.00 -2.87 0.10 0.00 1.01 0.00 0.00 58.87 57.11 1bap n SER 255 Cb 0.00 -0.64 0.61 0.00 -1.01 0.00 0.00 64.21 63.17 1bap n SER 255 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bap h PRO 256 N 4.30 0.00 -0.19 1.43 0.13 -1.91 -1.07 132.00 134.68 1bap h PRO 256 Ca 0.13 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1bap h PRO 256 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1bap h PRO 256 CO 0.56 0.18 0.08 0.38 -0.23 0.00 0.00 178.00 178.97 1bap h ASP 257 N 0.00 0.11 -0.23 1.44 2.03 -1.91 -0.20 116.42 117.67 1bap h ASP 257 Ca -0.00 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1bap h ASP 257 Cb 0.47 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 1bap h ASP 257 CO 0.02 0.09 0.12 0.58 -1.03 0.00 0.00 179.24 179.02 1bap h VAL 258 N 0.18 1.12 -0.17 4.15 2.07 -1.62 -1.81 116.25 120.17 1bap h VAL 258 Ca 0.08 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1bap h VAL 258 Cb 0.03 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1bap h VAL 258 CO -0.07 0.12 0.04 0.45 0.02 0.00 0.00 177.57 178.13 1bap h HIS 259 N 0.25 0.07 0.56 1.57 3.86 -1.13 0.63 115.15 120.96 1bap h HIS 259 Ca 0.08 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1bap h HIS 259 Cb 0.08 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1bap h HIS 259 CO -0.03 0.03 -0.27 0.78 0.86 0.00 0.00 177.93 179.29 1bap h GLY 260 N 0.11 -0.79 0.79 2.45 0.00 -0.99 -2.23 103.07 102.42 1bap h GLY 260 Ca 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1bap h GLY 260 CO -0.10 -0.29 -0.09 -1.82 0.00 0.00 0.00 176.54 174.25 1bap h TYR 261 N -0.80 -0.23 -0.38 5.60 5.03 -1.30 -2.98 116.97 121.90 1bap h TYR 261 Ca -0.08 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.16 1bap h TYR 261 Cb 0.60 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1bap h TYR 261 CO -0.03 0.01 -0.02 -0.22 -1.32 0.00 0.00 178.16 176.58 1bap h LYS 262 N -0.46 0.69 -0.44 1.82 3.64 -0.95 0.15 116.57 121.01 1bap h LYS 262 Ca -0.03 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1bap h LYS 262 Cb 0.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1bap h LYS 262 CO 0.04 0.81 0.27 0.66 -2.27 0.00 0.00 179.45 178.96 1bap h SER 263 N 0.51 0.53 -0.22 4.20 4.64 -1.51 -1.09 113.55 120.62 1bap h SER 263 Ca 0.11 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1bap h SER 263 Cb 0.51 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1bap h SER 263 CO 0.02 0.43 0.10 0.28 -0.87 0.00 0.00 176.83 176.79 1bap h SER 264 N 0.59 0.29 -0.80 4.97 0.02 -1.34 -1.60 113.55 115.68 1bap h SER 264 Ca 0.16 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1bap h SER 264 Cb -0.01 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1bap h SER 264 CO -0.03 0.34 0.41 -0.08 -1.14 0.00 0.00 176.83 176.33 1bap h GLU 265 N 0.22 1.13 -0.38 3.45 4.81 -0.87 -1.40 114.58 121.54 1bap h GLU 265 Ca 0.07 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1bap h GLU 265 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1bap h GLU 265 CO -0.01 0.86 -0.29 0.52 -0.73 0.00 0.00 179.01 179.36 1bap h MET 266 N 1.12 0.82 -0.20 1.92 2.86 -1.07 -1.82 114.93 118.56 1bap h MET 266 Ca 0.28 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1bap h MET 266 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1bap h MET 266 CO -0.04 1.01 0.08 1.25 1.06 0.00 0.00 176.91 180.26 1bap h LEU 267 N 0.70 0.28 0.06 1.22 5.85 -0.98 -1.90 115.31 120.54 1bap h LEU 267 Ca 0.08 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1bap h LEU 267 Cb 0.83 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1bap h LEU 267 CO 0.07 0.38 -0.38 0.22 -0.34 0.00 0.00 178.44 178.39 1bap h TYR 268 N 0.17 -1.06 -0.86 1.25 5.03 -1.15 0.20 116.97 120.55 1bap h TYR 268 Ca 0.07 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.51 1bap h TYR 268 Cb 0.19 0.46 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 1bap h TYR 268 CO -0.01 -0.48 0.55 -0.91 -1.32 0.00 0.00 178.16 176.00 1bap h ASN 269 N -0.58 0.72 0.35 -2.11 2.35 -1.25 0.53 115.58 115.58 1bap h ASN 269 Ca 0.04 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1bap h ASN 269 Cb 0.63 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1bap h ASN 269 CO -0.26 0.41 -0.17 -0.25 -1.65 0.00 0.00 177.43 175.52 1bap h TRP 270 N 0.79 -0.43 -0.51 1.19 7.01 -0.83 -0.46 115.95 122.71 1bap h TRP 270 Ca 0.40 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.35 1bap h TRP 270 Cb 0.48 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 1bap h TRP 270 CO -0.00 -0.10 0.14 0.28 -2.79 0.00 0.00 178.44 175.97 1bap h VAL 271 N -0.81 1.24 0.00 2.65 2.07 -0.06 -0.20 116.25 121.14 1bap h VAL 271 Ca -0.05 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 1bap h VAL 271 Cb 0.52 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1bap h VAL 271 CO 0.08 0.30 -0.96 0.00 0.02 0.00 0.00 177.57 177.01 1bap h ALA 272 N 1.01 0.65 0.00 1.67 0.00 -0.06 -3.39 119.26 119.14 1bap h ALA 272 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bap h ALA 272 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bap h ALA 272 CO -0.00 0.72 -0.30 1.63 0.00 0.00 0.00 179.25 181.30 1bap n LYS 273 N -3.03 0.00 -3.98 0.00 5.02 -0.26 -5.00 118.16 110.91 1bap n LYS 273 Ca -0.04 -0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 55.24 1bap n LYS 273 Cb 0.77 -0.40 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 1bap n LYS 273 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1bap n ASP 274 N 0.00 -0.74 -4.49 4.39 2.03 -0.09 -4.89 116.55 112.77 1bap n ASP 274 Ca 0.00 -1.02 -0.43 0.00 0.52 0.00 0.00 54.79 53.86 1bap n ASP 274 Cb 0.62 -1.30 -0.04 0.00 -0.72 0.00 0.00 41.12 39.68 1bap n ASP 274 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bap s VAL 275 N -3.26 4.38 -0.21 5.18 1.01 -0.75 -4.95 120.40 121.80 1bap s VAL 275 Ca 0.46 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1bap s VAL 275 Cb -0.27 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.50 1bap s VAL 275 CO 0.83 -1.26 1.48 -0.70 0.00 0.00 0.00 175.10 175.45 1bap s GLU 276 N 3.95 3.95 0.62 2.72 2.56 -1.26 -2.97 118.70 128.26 1bap s GLU 276 Ca 0.26 1.63 -0.18 0.00 0.00 0.00 0.00 54.97 56.68 1bap s GLU 276 Cb -0.15 -3.94 -0.02 0.00 2.00 0.00 0.00 34.13 32.02 1bap s GLU 276 CO 0.15 -1.09 1.18 -1.25 -0.56 0.00 0.00 175.26 173.68 1bap s PRO 277 N 4.27 2.87 0.47 4.30 0.04 -1.26 -4.99 135.00 140.69 1bap s PRO 277 Ca 0.65 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.15 1bap s PRO 277 Cb -0.23 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1bap s PRO 277 CO 0.25 -1.25 1.38 -0.35 0.04 0.00 0.00 177.00 177.07 1bap n PRO 278 N -1.86 2.05 -0.00 0.56 -0.04 -1.26 -4.91 135.00 129.53 1bap n PRO 278 Ca 0.13 0.73 -0.02 0.00 -0.04 0.00 0.00 63.50 64.30 1bap n PRO 278 Cb 0.50 -2.56 0.23 0.00 -0.04 0.00 0.00 33.50 31.63 1bap n PRO 278 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1bap h LYS 279 N 2.04 0.52 -3.53 0.54 1.79 -1.91 -3.40 116.57 112.61 1bap h LYS 279 Ca -0.50 -0.16 -0.39 0.00 -2.18 0.00 0.00 60.65 57.42 1bap h LYS 279 Cb 1.28 -0.05 -0.38 0.00 -1.58 0.00 0.00 32.23 31.51 1bap h LYS 279 CO 0.60 0.65 -0.75 0.12 -1.08 0.00 0.00 179.45 178.99 1bap s PHE 280 N -4.71 0.32 -0.24 -1.35 2.19 -1.26 -0.15 117.98 112.78 1bap s PHE 280 Ca -0.07 0.06 0.01 0.00 0.33 0.00 0.00 56.93 57.26 1bap s PHE 280 Cb 0.14 -0.57 0.06 0.00 -1.31 0.00 0.00 43.02 41.35 1bap s PHE 280 CO 0.78 -0.22 -0.05 0.99 1.83 0.00 0.00 175.22 178.55 1bap s THR 281 N 1.85 1.61 -0.23 0.12 2.01 0.31 -4.99 115.64 116.31 1bap s THR 281 Ca 0.02 -1.31 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 1bap s THR 281 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1bap s THR 281 CO -0.04 -0.13 0.05 -0.70 -0.69 0.00 0.00 174.62 173.12 1bap s GLU 282 N 1.35 3.67 -0.27 4.92 2.12 -1.26 -0.93 118.70 128.30 1bap s GLU 282 Ca -0.05 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 1bap s GLU 282 Cb -0.19 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1bap s GLU 282 CO -0.07 -0.11 0.19 0.08 -0.54 0.00 0.00 175.26 174.82 1bap s VAL 283 N 1.38 5.31 -1.22 3.70 1.01 0.35 -4.89 120.40 126.05 1bap s VAL 283 Ca 0.05 0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.40 1bap s VAL 283 Cb -0.15 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1bap s VAL 283 CO 0.03 0.26 0.83 0.35 0.00 0.00 0.00 175.10 176.58 1bap n THR 284 N 4.90 0.00 -1.61 3.92 -2.24 -1.26 -1.41 114.28 116.58 1bap n THR 284 Ca -0.14 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1bap n THR 284 Cb 0.52 1.10 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1bap n THR 284 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bap n ASP 285 N -0.81 1.41 -3.62 3.42 8.00 -1.26 -4.93 116.55 118.75 1bap n ASP 285 Ca 0.05 1.10 -0.09 0.00 0.71 0.00 0.00 54.79 56.57 1bap n ASP 285 Cb 0.32 -1.34 -0.07 0.00 -0.02 0.00 0.00 41.12 40.02 1bap n ASP 285 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bap s VAL 286 N -1.18 0.00 -0.05 2.53 0.11 -1.26 -4.50 120.40 116.04 1bap s VAL 286 Ca 0.60 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1bap s VAL 286 Cb -0.61 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1bap s VAL 286 CO 0.59 0.00 0.14 0.54 -3.33 0.00 0.00 175.10 173.04 1bap s VAL 287 N -0.11 0.00 -0.22 2.04 0.11 -0.98 -4.96 120.40 116.29 1bap s VAL 287 Ca 0.02 -0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1bap s VAL 287 Cb -0.04 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1bap s VAL 287 CO -0.05 -0.01 0.99 -0.22 -3.33 0.00 0.00 175.10 172.48 1bap s LEU 288 N 0.04 4.12 -0.10 2.54 2.96 -1.26 -0.33 118.68 126.64 1bap s LEU 288 Ca -0.00 1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1bap s LEU 288 Cb -0.01 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1bap s LEU 288 CO 0.00 -0.61 -0.05 0.27 -1.32 0.00 0.00 176.35 174.65 1bap s ILE 289 N 2.96 3.84 0.21 6.68 -4.36 0.29 -4.97 121.20 125.85 1bap s ILE 289 Ca 0.43 -0.41 0.02 0.00 -0.26 0.00 0.00 60.65 60.42 1bap s ILE 289 Cb -0.15 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 1bap s ILE 289 CO 0.08 0.56 0.06 0.35 0.24 0.00 0.00 174.94 176.23 1bap n THR 290 N 2.69 0.00 0.02 8.37 -2.24 -1.26 -0.87 114.28 120.99 1bap n THR 290 Ca -0.18 -1.18 0.16 0.00 -2.27 0.00 0.00 64.05 60.59 1bap n THR 290 Cb 0.53 0.39 0.64 0.00 -2.10 0.00 0.00 70.33 69.79 1bap n THR 290 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1bap h ARG 291 N 0.00 0.09 0.07 -0.78 3.08 -1.86 -2.10 114.38 112.88 1bap h ARG 291 Ca -0.17 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.60 1bap h ARG 291 Cb 0.61 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1bap h ARG 291 CO 0.27 0.06 -1.38 -0.44 -1.07 0.00 0.00 179.97 177.40 1bap h ASP 292 N 0.09 0.24 0.00 7.04 3.32 -1.95 -3.39 116.42 121.77 1bap h ASP 292 Ca 0.22 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bap h ASP 292 Cb 0.75 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1bap h ASP 292 CO -0.02 1.26 0.00 -0.46 -1.72 0.00 0.00 179.24 178.30 1bap n ASN 293 N -3.38 0.59 -0.25 6.45 6.94 -1.09 -4.84 115.26 119.69 1bap n ASN 293 Ca -0.11 -0.81 -0.02 0.00 -0.02 0.00 0.00 54.58 53.62 1bap n ASN 293 Cb 1.02 0.31 0.09 0.00 -2.36 0.00 0.00 39.78 38.83 1bap n ASN 293 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1bap h PHE 294 N 0.00 0.79 -0.42 -2.53 -0.00 -1.59 -1.60 116.94 111.59 1bap h PHE 294 Ca 0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 57.87 1bap h PHE 294 Cb 0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 35.72 1bap h PHE 294 CO 0.00 0.42 -0.21 0.87 -0.00 0.00 0.00 178.31 179.40 1bap h LYS 295 N 0.81 0.87 0.60 6.09 1.57 -1.88 -0.53 116.57 124.11 1bap h LYS 295 Ca 0.30 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1bap h LYS 295 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bap h LYS 295 CO -0.14 1.03 -0.44 0.93 -0.57 0.00 0.00 179.45 180.27 1bap h GLU 296 N 0.69 -0.95 -0.72 3.15 5.08 -1.84 -2.03 114.58 117.96 1bap h GLU 296 Ca 0.09 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1bap h GLU 296 Cb 0.77 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 1bap h GLU 296 CO 0.06 -0.64 0.39 0.93 -1.00 0.00 0.00 179.01 178.75 1bap h GLU 297 N -0.99 0.66 0.12 2.33 4.39 -1.18 0.17 114.58 120.07 1bap h GLU 297 Ca -0.08 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1bap h GLU 297 Cb 0.82 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1bap h GLU 297 CO 0.04 0.43 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.09 1bap h LEU 298 N 0.67 -0.44 -1.08 1.33 3.38 -1.02 -0.57 115.31 117.58 1bap h LEU 298 Ca 0.34 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 1bap h LEU 298 Cb 0.30 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1bap h LEU 298 CO -0.23 -0.24 -0.42 -0.33 0.09 0.00 0.00 178.44 177.32 1bap h GLU 299 N -0.33 0.09 -0.18 1.13 3.07 -1.26 0.20 114.58 117.31 1bap h GLU 299 Ca 0.02 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1bap h GLU 299 Cb 0.33 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1bap h GLU 299 CO -0.07 0.49 -0.21 -0.22 -1.40 0.00 0.00 179.01 177.60 1bap h LYS 300 N 0.08 0.31 -0.00 2.33 3.64 -0.22 -0.67 116.57 122.04 1bap h LYS 300 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1bap h LYS 300 Cb 0.77 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1bap h LYS 300 CO 0.06 0.51 -0.56 1.17 -2.27 0.00 0.00 179.45 178.36 1bap n LYS 301 N -4.18 0.34 -0.67 1.90 4.81 -0.26 -4.96 118.16 115.14 1bap n LYS 301 Ca -0.01 -0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 1bap n LYS 301 Cb 0.34 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1bap n LYS 301 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bap n GLY 302 N 1.45 0.77 2.22 3.14 0.00 -0.15 -4.95 105.19 107.67 1bap n GLY 302 Ca 0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1bap n GLY 302 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bap n LEU 303 N 0.00 6.46 -4.12 0.99 4.77 0.53 -4.98 117.00 120.66 1bap n LEU 303 Ca 0.00 -4.52 -0.36 0.00 -0.03 0.00 0.00 56.01 51.10 1bap n LEU 303 Cb 0.06 -0.70 0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1bap n LEU 303 CO 0.00 1.77 -1.22 0.61 -1.33 0.00 0.00 177.39 177.22 1bap n GLY 304 N -0.81 -3.33 0.00 -0.72 0.00 -1.25 -4.72 105.19 94.35 1bap n GLY 304 Ca 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bap n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bap n GLY 305 N 2.89 0.97 0.00 -0.02 0.00 -1.26 -5.00 105.19 102.77 1bap n GLY 305 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1bap n GLY 305 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49