#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bda n GLY 2 N -2.59 1.26 3.92 0.00 0.00 -0.82 -4.70 105.19 102.26 1bda n GLY 2 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1bda n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bda s LEU 3 N -3.29 4.35 -0.28 0.99 1.43 -1.26 -0.51 118.68 120.11 1bda s LEU 3 Ca 0.00 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.12 1bda s LEU 3 Cb 0.00 -2.97 0.10 0.00 0.03 0.00 0.00 46.19 43.35 1bda s LEU 3 CO 0.00 0.14 0.91 0.00 0.23 0.00 0.00 176.35 177.62 1bda s ARG 4 N -2.67 0.64 -1.05 1.70 1.70 -1.26 -4.87 118.95 113.13 1bda s ARG 4 Ca 0.35 0.76 -0.18 0.00 -0.47 0.00 0.00 55.73 56.20 1bda s ARG 4 Cb -0.13 0.31 0.13 0.00 -0.57 0.00 0.00 34.95 34.70 1bda s ARG 4 CO 0.28 -0.08 1.29 -0.65 -1.08 0.00 0.00 175.30 175.07 1bda s GLN 5 N 0.30 3.78 0.93 3.89 -0.21 -1.25 -5.00 119.66 122.11 1bda s GLN 5 Ca 0.02 -1.98 -0.12 0.00 0.02 0.00 0.00 55.36 53.31 1bda s GLN 5 Cb -0.05 -5.04 0.15 0.00 1.00 0.00 0.00 33.01 29.06 1bda s GLN 5 CO -0.04 -1.84 1.09 -0.47 -2.12 0.00 0.00 175.29 171.91 1bda s TYR 6 N 2.65 2.16 -0.19 0.91 5.04 -1.26 -4.01 117.35 122.65 1bda s TYR 6 Ca 0.38 1.29 -0.15 0.00 -2.44 0.00 0.00 57.07 56.16 1bda s TYR 6 Cb -0.03 -3.17 0.05 0.00 0.35 0.00 0.00 41.96 39.16 1bda s TYR 6 CO -0.05 -2.58 0.49 -1.12 -1.34 0.00 0.00 175.55 170.94 1bda s SER 7 N -3.27 -0.56 -0.12 4.32 0.01 -1.26 -4.97 113.70 107.85 1bda s SER 7 Ca 0.64 1.01 -0.29 0.00 1.31 0.00 0.00 55.95 58.62 1bda s SER 7 Cb -0.19 0.97 -0.06 0.00 0.21 0.00 0.00 66.02 66.95 1bda s SER 7 CO 0.58 -0.18 1.95 -1.10 0.41 0.00 0.00 173.24 174.89 1bda s GLN 8 N 0.74 3.71 -0.70 12.44 -0.21 -1.26 -4.88 119.66 129.50 1bda s GLN 8 Ca -0.04 2.15 -0.26 0.00 0.02 0.00 0.00 55.36 57.23 1bda s GLN 8 Cb -0.05 -4.19 -0.06 0.00 1.00 0.00 0.00 33.01 29.71 1bda s GLN 8 CO -0.05 -1.43 2.08 -2.14 -2.12 0.00 0.00 175.29 171.62 1bda s PRO 9 N 5.14 2.34 -0.15 2.91 0.02 -1.26 -4.84 135.00 139.16 1bda s PRO 9 Ca 0.87 0.50 -0.04 0.00 0.02 0.00 0.00 61.00 62.36 1bda s PRO 9 Cb -0.34 -4.68 -0.08 0.00 0.02 0.00 0.00 34.50 29.42 1bda s PRO 9 CO 0.36 -3.29 2.89 1.04 -0.33 0.00 0.00 177.00 177.67 1bda n GLN 10 N 9.01 1.87 -3.43 5.54 6.02 -1.26 -4.72 117.38 130.39 1bda n GLN 10 Ca 0.33 -1.19 0.01 0.00 -0.01 0.00 0.00 57.00 56.15 1bda n GLN 10 Cb 0.50 -1.78 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1bda n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1bda s PHE 11 N -0.20 -0.97 0.23 1.08 0.08 -1.26 -5.04 117.98 111.89 1bda s PHE 11 Ca 0.47 1.54 -0.03 0.00 0.12 0.00 0.00 56.93 59.03 1bda s PHE 11 Cb 0.26 0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 43.19 1bda s PHE 11 CO -0.05 -0.49 0.45 1.03 -0.10 0.00 0.00 175.22 176.06 1bda s ARG 15 N 2.67 3.58 0.10 0.44 0.52 -1.26 0.09 118.95 125.09 1bda s ARG 15 Ca -0.01 -0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1bda s ARG 15 Cb -0.09 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 1bda s ARG 15 CO -0.18 0.34 0.04 0.42 0.02 0.00 0.00 175.30 175.94 1bda s ILE 16 N -1.91 0.15 -0.38 1.52 1.01 -0.97 -4.72 121.20 115.90 1bda s ILE 16 Ca 0.41 -1.79 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 1bda s ILE 16 Cb -0.11 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1bda s ILE 16 CO 0.28 -0.69 1.33 -0.75 0.00 0.00 0.00 174.94 175.11 1bda s LYS 17 N -3.98 3.72 0.00 2.79 2.20 -1.26 -2.52 119.74 120.69 1bda s LYS 17 Ca 0.15 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1bda s LYS 17 Cb 0.07 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1bda s LYS 17 CO -0.04 -1.38 0.00 0.41 -0.36 0.00 0.00 175.35 173.98 1bda n GLY 18 N 4.76 0.81 0.00 5.54 0.00 -1.25 -4.70 105.19 110.36 1bda n GLY 18 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1bda n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bda n GLY 19 N -0.77 -0.53 3.65 -0.02 0.00 -1.05 -2.86 105.19 103.60 1bda n GLY 19 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1bda n GLY 19 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bda s LEU 20 N 0.00 -0.26 0.44 0.99 2.96 -0.76 -2.30 118.68 119.75 1bda s LEU 20 Ca 0.00 0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 54.13 1bda s LEU 20 Cb 0.00 1.45 -0.10 0.00 0.50 0.00 0.00 46.19 48.04 1bda s LEU 20 CO 0.00 -0.08 1.14 0.49 -1.32 0.00 0.00 176.35 176.58 1bda n PHE 21 N 2.53 1.62 -3.76 5.38 3.72 0.11 -1.50 117.46 125.56 1bda n PHE 21 Ca -0.14 0.52 -0.13 0.00 -0.05 0.00 0.00 57.45 57.65 1bda n PHE 21 Cb 0.57 -2.29 -0.10 0.00 -0.94 0.00 0.00 39.48 36.72 1bda n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bda s ALA 22 N -1.25 -0.81 0.18 4.37 0.00 0.26 -4.52 121.76 119.98 1bda s ALA 22 Ca 0.63 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1bda s ALA 22 Cb -0.52 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.26 1bda s ALA 22 CO 0.56 -0.21 1.10 0.34 0.00 0.00 0.00 175.76 177.56 1bda s ASP 23 N -0.53 7.26 0.44 0.00 -1.08 -1.26 -4.23 116.67 117.27 1bda s ASP 23 Ca -0.06 2.09 0.20 0.00 -0.52 0.00 0.00 52.55 54.25 1bda s ASP 23 Cb -0.04 -2.60 1.16 0.00 -1.46 0.00 0.00 42.92 39.97 1bda s ASP 23 CO 0.02 -0.22 1.87 -0.29 0.52 0.00 0.00 175.17 177.07 1bda h ILE 24 N 3.73 0.67 -0.33 4.11 6.09 -1.88 0.26 117.51 130.16 1bda h ILE 24 Ca -0.44 -0.11 0.10 0.00 -1.37 0.00 0.00 64.86 63.03 1bda h ILE 24 Cb 1.21 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1bda h ILE 24 CO 0.72 0.06 0.35 0.00 -3.07 0.00 0.00 178.15 176.21 1bda h ALA 25 N 1.61 2.03 0.00 0.18 0.00 -1.88 0.55 119.26 121.74 1bda h ALA 25 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1bda h ALA 25 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1bda h ALA 25 CO -0.14 -0.52 0.00 0.77 0.00 0.00 0.00 179.25 179.36 1bda h SER 26 N 0.00 0.00 -1.42 0.00 0.02 -0.60 -3.31 113.55 108.24 1bda h SER 26 Ca 0.16 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.68 1bda h SER 26 Cb 0.85 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.06 1bda h SER 26 CO -0.00 0.00 -0.97 1.41 -1.14 0.00 0.00 176.83 176.13 1bda n HIS 27 N -3.06 -0.86 0.00 3.45 8.25 0.18 -4.85 115.22 118.32 1bda n HIS 27 Ca 0.02 -3.24 0.00 0.00 -0.26 0.00 0.00 57.72 54.24 1bda n HIS 27 Cb 0.39 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1bda n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bda n PRO 28 N 0.66 0.00 0.00 -0.41 -0.04 -0.38 -0.67 135.00 134.15 1bda n PRO 28 Ca 0.19 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1bda n PRO 28 Cb 0.64 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 1bda n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bda n TRP 29 N -0.92 0.00 -2.29 0.54 2.14 -1.21 -1.58 117.44 114.11 1bda n TRP 29 Ca 0.00 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.19 1bda n TRP 29 Cb 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.48 1bda n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bda s GLN 30 N -1.50 3.93 -0.00 -2.67 2.00 0.15 -1.69 119.66 119.87 1bda s GLN 30 Ca 0.15 1.79 -0.00 0.00 -2.00 0.00 0.00 55.36 55.31 1bda s GLN 30 Cb 0.12 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.39 1bda s GLN 30 CO 0.27 -0.41 0.00 0.00 -0.50 0.00 0.00 175.29 174.65 1bda s ALA 31 N -1.49 0.00 -0.19 1.58 0.00 0.25 -4.43 121.76 117.48 1bda s ALA 31 Ca 0.60 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 1bda s ALA 31 Cb -0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1bda s ALA 31 CO 0.36 -0.00 0.05 0.00 0.00 0.00 0.00 175.76 176.16 1bda s ALA 32 N 0.04 3.29 -0.30 0.00 0.00 -0.91 0.23 121.76 124.11 1bda s ALA 32 Ca -0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1bda s ALA 32 Cb -0.01 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.25 1bda s ALA 32 CO -0.00 0.07 0.07 0.42 0.00 0.00 0.00 175.76 176.32 1bda s ILE 33 N 0.58 3.78 -0.13 0.00 1.01 0.99 -1.89 121.20 125.54 1bda s ILE 33 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1bda s ILE 33 Cb -0.13 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1bda s ILE 33 CO 0.01 0.03 0.26 -0.36 0.00 0.00 0.00 174.94 174.89 1bda s PHE 34 N 1.45 3.53 -0.22 3.97 0.08 0.03 -1.88 117.98 124.95 1bda s PHE 34 Ca 0.01 0.62 -0.02 0.00 0.12 0.00 0.00 56.93 57.67 1bda s PHE 34 Cb -0.18 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1bda s PHE 34 CO 0.02 0.43 -0.09 0.00 -0.10 0.00 0.00 175.22 175.48 1bda s ALA 35 N -0.15 2.66 0.24 5.36 0.00 -0.52 -0.74 121.76 128.61 1bda s ALA 35 Ca 0.16 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1bda s ALA 35 Cb -0.13 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 1bda s ALA 35 CO 0.05 -0.55 0.94 0.15 0.00 0.00 0.00 175.76 176.35 1bda s LYS 36 N 1.38 4.84 -0.10 0.00 1.02 0.17 -3.19 119.74 123.85 1bda s LYS 36 Ca 0.04 1.47 -0.22 0.00 0.02 0.00 0.00 55.97 57.28 1bda s LYS 36 Cb -0.15 -3.25 -0.19 0.00 -0.52 0.00 0.00 37.83 33.72 1bda s LYS 36 CO -0.06 0.51 0.71 0.45 -0.92 0.00 0.00 175.35 176.04 1bda h HIS 37 N 4.10 -0.04 0.00 3.18 3.86 -1.87 -3.46 115.15 120.92 1bda h HIS 37 Ca -0.45 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1bda h HIS 37 Cb 1.20 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1bda h HIS 37 CO 0.61 0.61 0.00 0.54 0.86 0.00 0.00 177.93 180.55 1bda n ARG 37 N -4.73 0.00 -3.65 2.45 5.12 -1.26 -4.51 116.66 110.08 1bda n ARG 37 Ca -0.08 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.62 1bda n ARG 37 Cb 0.33 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.67 1bda n ARG 37 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1bda n SER 37 N 0.00 -2.56 0.23 0.55 7.64 -1.26 -4.89 113.62 113.33 1bda n SER 37 Ca 0.00 -0.85 0.16 0.00 1.01 0.00 0.00 58.87 59.19 1bda n SER 37 Cb 0.00 -4.04 0.61 0.00 -1.01 0.00 0.00 64.21 59.76 1bda n SER 37 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1bda h PRO 37 N -1.78 0.00 0.00 1.43 0.11 -1.97 -3.47 132.00 126.33 1bda h PRO 37 Ca -0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1bda h PRO 37 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1bda h PRO 37 CO 0.53 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1bda n GLY 37 N 0.09 -1.52 1.36 -0.55 0.00 -1.26 -5.09 105.19 98.22 1bda n GLY 37 Ca 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1bda n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bda n GLU 38 N -0.14 1.08 -3.64 1.61 1.02 -1.26 -3.38 120.64 115.92 1bda n GLU 38 Ca 0.00 -1.18 -0.02 0.00 -0.02 0.00 0.00 57.16 55.94 1bda n GLU 38 Cb 0.00 0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.41 1bda n GLU 38 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1bda s ARG 39 N -2.85 0.36 -0.27 3.49 3.52 -1.19 -4.89 118.95 117.12 1bda s ARG 39 Ca 0.15 0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 56.07 1bda s ARG 39 Cb -0.01 0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1bda s ARG 39 CO 0.09 -0.07 1.28 0.12 -0.81 0.00 0.00 175.30 175.91 1bda s PHE 40 N 1.26 2.75 -0.17 5.12 5.36 -1.26 -1.44 117.98 129.59 1bda s PHE 40 Ca -0.08 0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 56.66 1bda s PHE 40 Cb -0.04 -3.79 -0.06 0.00 -0.34 0.00 0.00 43.02 38.80 1bda s PHE 40 CO -0.14 -1.66 -0.28 -0.11 -1.46 0.00 0.00 175.22 171.57 1bda n LEU 41 N 7.33 1.90 -3.88 6.12 7.94 -0.79 -4.95 117.00 130.67 1bda n LEU 41 Ca 0.14 0.43 -0.11 0.00 -1.11 0.00 0.00 56.01 55.37 1bda n LEU 41 Cb 0.46 -0.79 0.01 0.00 0.53 0.00 0.00 43.42 43.63 1bda n LEU 41 CO 0.61 -0.29 0.43 0.00 -1.11 0.00 0.00 177.39 177.04 1bda s GLY 43 N -3.13 1.76 -0.14 0.00 0.00 0.17 -0.00 107.32 105.97 1bda s GLY 43 Ca 0.20 -1.54 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 1bda s GLY 43 CO 0.14 -1.41 0.37 -0.32 0.00 0.00 0.00 173.10 171.89 1bda s GLY 44 N -4.26 -0.28 -0.34 0.20 0.00 0.13 -4.07 107.32 98.71 1bda s GLY 44 Ca 0.50 1.06 -0.10 0.00 0.00 0.00 0.00 44.72 46.18 1bda s GLY 44 CO 0.32 0.94 0.17 -0.42 0.00 0.00 0.00 173.10 174.11 1bda s ILE 45 N 0.27 4.51 -0.06 0.90 1.01 -0.23 0.86 121.20 128.47 1bda s ILE 45 Ca -0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1bda s ILE 45 Cb -0.03 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1bda s ILE 45 CO -0.00 -0.08 1.31 -0.22 0.00 0.00 0.00 174.94 175.95 1bda s LEU 46 N 1.57 4.27 -0.00 2.97 2.96 -0.68 -0.52 118.68 129.25 1bda s LEU 46 Ca 0.03 1.91 0.07 0.00 -0.22 0.00 0.00 54.13 55.93 1bda s LEU 46 Cb -0.18 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 1bda s LEU 46 CO 0.06 -0.68 0.28 2.30 -1.32 0.00 0.00 176.35 176.98 1bda n ILE 47 N 4.83 0.00 -3.58 6.68 -5.35 -0.64 -1.33 119.36 119.97 1bda n ILE 47 Ca 0.13 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.25 1bda n ILE 47 Cb 0.45 0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 39.21 1bda n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bda s SER 48 N -1.89 -0.24 0.00 7.28 1.04 -1.12 -4.79 113.70 113.98 1bda s SER 48 Ca 0.02 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1bda s SER 48 Cb 0.05 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1bda s SER 48 CO 0.30 -0.54 0.23 -0.24 0.98 0.00 0.00 173.24 173.97 1bda n SER 49 N -0.27 0.00 -0.28 7.02 2.88 -1.26 -0.97 113.62 120.73 1bda n SER 49 Ca -0.06 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1bda n SER 49 Cb 0.61 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1bda n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bda s TRP 51 N 0.00 1.09 -0.00 0.00 0.52 -0.14 0.58 118.94 120.98 1bda s TRP 51 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 56.10 55.41 1bda s TRP 51 Cb 0.00 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 1bda s TRP 51 CO 0.00 -0.55 -0.15 0.96 0.02 0.00 0.00 176.95 177.23 1bda s ILE 52 N 1.84 3.00 0.19 2.03 -4.36 -0.34 -1.61 121.20 121.94 1bda s ILE 52 Ca 0.01 -0.93 -0.10 0.00 -0.26 0.00 0.00 60.65 59.37 1bda s ILE 52 Cb -0.16 -2.22 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1bda s ILE 52 CO -0.07 0.46 0.52 -0.76 0.24 0.00 0.00 174.94 175.33 1bda s LEU 53 N -1.11 4.22 0.26 0.37 1.43 0.32 -0.62 118.68 123.56 1bda s LEU 53 Ca 0.14 0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 53.93 1bda s LEU 53 Cb -0.11 -3.51 0.03 0.00 0.03 0.00 0.00 46.19 42.63 1bda s LEU 53 CO 0.03 -0.01 0.70 -0.55 0.23 0.00 0.00 176.35 176.76 1bda s SER 54 N -2.20 -0.31 0.30 2.29 0.15 0.11 -1.06 113.70 112.98 1bda s SER 54 Ca 0.44 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 1bda s SER 54 Cb -0.12 0.71 -0.10 0.00 -1.71 0.00 0.00 66.02 64.80 1bda s SER 54 CO 0.21 -1.29 1.14 0.00 1.20 0.00 0.00 173.24 174.50 1bda s ALA 55 N -3.89 3.41 0.08 5.45 0.00 -1.26 -0.89 121.76 124.66 1bda s ALA 55 Ca 0.09 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1bda s ALA 55 Cb -0.05 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1bda s ALA 55 CO 0.04 -0.26 1.46 0.00 0.00 0.00 0.00 175.76 176.99 1bda h ALA 56 N 3.66 0.35 0.00 0.00 0.00 -1.57 -2.52 119.26 119.19 1bda h ALA 56 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1bda h ALA 56 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bda h ALA 56 CO 0.66 0.20 0.11 1.12 0.00 0.00 0.00 179.25 181.34 1bda h HIS 57 N 0.25 0.00 0.00 0.00 2.07 -1.91 0.91 115.15 116.47 1bda h HIS 57 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1bda h HIS 57 Cb 0.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.57 1bda h HIS 57 CO 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.92 1bda n PHE 59 N -2.25 0.00 -0.36 0.00 3.72 0.31 -4.78 117.46 114.10 1bda n PHE 59 Ca 0.01 -0.38 0.30 0.00 -0.05 0.00 0.00 57.45 57.33 1bda n PHE 59 Cb 0.20 -0.04 0.56 0.00 -0.94 0.00 0.00 39.48 39.26 1bda n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1bda h GLN 60 N 0.00 0.15 0.00 -1.08 4.20 -1.64 0.79 115.11 117.53 1bda h GLN 60 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1bda h GLN 60 Cb 0.48 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1bda h GLN 60 CO 0.00 0.10 0.58 0.93 -0.67 0.00 0.00 178.83 179.76 1bda h GLU 60 N 0.15 0.00 -4.19 1.46 5.08 -1.86 -3.43 114.58 111.78 1bda h GLU 60 Ca 0.79 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.96 1bda h GLU 60 Cb 2.11 0.00 0.10 0.00 0.50 0.00 0.00 28.75 31.46 1bda h GLU 60 CO -0.60 0.00 -0.46 0.54 -1.00 0.00 0.00 179.01 177.48 1bda n ARG 60 N -2.31 -3.81 -1.86 2.33 5.12 0.27 -4.94 116.66 111.47 1bda n ARG 60 Ca -0.01 0.51 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 1bda n ARG 60 Cb 0.59 -4.49 -0.03 0.00 -1.16 0.00 0.00 32.46 27.38 1bda n ARG 60 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bda s PHE 60 N -3.22 1.91 -0.17 -1.55 0.08 -1.26 -4.94 117.98 108.84 1bda s PHE 60 Ca 0.02 0.01 -0.29 0.00 0.12 0.00 0.00 56.93 56.78 1bda s PHE 60 Cb -0.00 -4.06 -0.02 0.00 -0.57 0.00 0.00 43.02 38.38 1bda s PHE 60 CO 0.44 -4.48 1.31 -2.14 -0.10 0.00 0.00 175.22 170.25 1bda s PRO 60 N 3.64 4.19 0.13 0.24 0.02 -1.26 -4.87 135.00 137.10 1bda s PRO 60 Ca 0.79 1.67 0.06 0.00 0.02 0.00 0.00 61.00 63.54 1bda s PRO 60 Cb -0.39 -3.80 0.46 0.00 0.02 0.00 0.00 34.50 30.78 1bda s PRO 60 CO 0.35 -0.77 0.60 -2.30 -0.33 0.00 0.00 177.00 174.54 1bda n PRO 61 N 6.75 -0.02 0.00 5.54 -0.02 -1.26 0.84 135.00 146.82 1bda n PRO 61 Ca 0.14 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1bda n PRO 61 Cb 0.45 -0.93 0.42 0.00 -0.02 0.00 0.00 33.50 33.43 1bda n PRO 61 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1bda n HIS 62 N -3.98 0.00 -0.65 6.00 1.44 -1.26 -1.01 115.22 115.76 1bda n HIS 62 Ca 0.13 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 1bda n HIS 62 Cb 0.44 -0.12 0.37 0.00 0.12 0.00 0.00 29.99 30.80 1bda n HIS 62 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1bda n HIS 63 N -1.12 1.56 -4.43 -1.40 8.25 0.25 -4.97 115.22 113.35 1bda n HIS 63 Ca 0.10 -0.62 -0.22 0.00 -0.26 0.00 0.00 57.72 56.72 1bda n HIS 63 Cb 0.08 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 30.83 1bda n HIS 63 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1bda s LEU 64 N -1.90 2.57 -0.26 2.41 2.96 -0.18 0.41 118.68 124.70 1bda s LEU 64 Ca 0.52 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 1bda s LEU 64 Cb 0.34 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 46.29 1bda s LEU 64 CO 0.25 -0.17 0.62 -0.89 -1.32 0.00 0.00 176.35 174.84 1bda s THR 65 N -2.81 -0.14 -0.25 3.68 2.01 0.08 -4.11 115.64 114.11 1bda s THR 65 Ca 0.28 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 1bda s THR 65 Cb -0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1bda s THR 65 CO 0.12 0.01 0.11 -0.69 -0.69 0.00 0.00 174.62 173.48 1bda s VAL 66 N 1.77 4.77 -0.17 3.82 1.01 0.39 -0.79 120.40 131.19 1bda s VAL 66 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1bda s VAL 66 Cb -0.07 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1bda s VAL 66 CO -0.18 0.33 -0.16 -0.63 0.00 0.00 0.00 175.10 174.46 1bda s ILE 67 N 1.43 2.46 0.37 2.22 1.01 -0.79 -0.70 121.20 127.20 1bda s ILE 67 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1bda s ILE 67 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1bda s ILE 67 CO 0.06 0.51 0.24 -0.76 0.00 0.00 0.00 174.94 174.99 1bda s LEU 68 N 1.11 3.35 -1.18 2.97 1.43 0.53 -2.14 118.68 124.76 1bda s LEU 68 Ca 0.00 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1bda s LEU 68 Cb -0.14 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1bda s LEU 68 CO -0.06 -0.44 0.75 0.61 0.23 0.00 0.00 176.35 177.45 1bda n GLY 69 N -1.32 -0.83 2.80 -3.19 0.00 -1.18 -1.21 105.19 100.28 1bda n GLY 69 Ca -0.01 0.39 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1bda n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bda s ARG 70 N -5.86 0.37 -0.06 1.61 3.52 -1.26 -3.31 118.95 113.96 1bda s ARG 70 Ca 0.36 0.09 0.13 0.00 -0.13 0.00 0.00 55.73 56.17 1bda s ARG 70 Cb -0.12 -0.61 -0.23 0.00 -1.56 0.00 0.00 34.95 32.43 1bda s ARG 70 CO 0.84 -0.18 0.60 2.41 -0.81 0.00 0.00 175.30 178.17 1bda n THR 71 N 4.41 1.59 -4.03 4.11 -1.04 -1.26 -4.71 114.28 113.36 1bda n THR 71 Ca -0.21 -0.80 -0.35 0.00 -2.04 0.00 0.00 64.05 60.66 1bda n THR 71 Cb 0.50 -1.00 -0.09 0.00 -1.82 0.00 0.00 70.33 67.92 1bda n THR 71 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1bda s TYR 72 N -2.59 3.28 0.20 -1.42 2.02 -1.26 -1.06 117.35 116.51 1bda s TYR 72 Ca -0.06 0.13 -0.15 0.00 -0.37 0.00 0.00 57.07 56.63 1bda s TYR 72 Cb 0.08 -2.04 0.19 0.00 -0.40 0.00 0.00 41.96 39.79 1bda s TYR 72 CO 0.82 0.25 1.64 -0.09 -1.57 0.00 0.00 175.55 176.60 1bda h ARG 73 N 6.36 0.01 0.00 -0.62 2.43 -1.38 -3.32 114.38 117.86 1bda h ARG 73 Ca -0.40 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1bda h ARG 73 Cb 1.17 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1bda h ARG 73 CO 0.68 0.01 -1.35 0.28 -1.51 0.00 0.00 179.97 178.07 1bda n VAL 74 N -5.38 0.09 -2.37 0.20 0.31 -1.26 -4.92 118.33 105.00 1bda n VAL 74 Ca 0.06 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.77 1bda n VAL 74 Cb 0.29 0.11 -0.02 0.00 -0.91 0.00 0.00 33.84 33.30 1bda n VAL 74 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bda s VAL 75 N -2.43 3.99 0.13 2.52 1.01 -1.25 -4.94 120.40 119.44 1bda s VAL 75 Ca -0.03 1.06 -0.34 0.00 0.00 0.00 0.00 61.98 62.68 1bda s VAL 75 Cb 0.04 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1bda s VAL 75 CO 0.29 -0.62 1.61 -2.65 0.00 0.00 0.00 175.10 173.73 1bda n PRO 76 N 7.74 2.14 -2.13 2.72 -0.02 -1.26 -4.35 135.00 139.84 1bda n PRO 76 Ca 0.16 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.11 1bda n PRO 76 Cb 0.47 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1bda n PRO 76 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bda s GLY 77 N 1.24 1.70 -0.03 -1.23 0.00 -1.26 -5.01 107.32 102.72 1bda s GLY 77 Ca 0.80 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 45.14 1bda s GLY 77 CO 0.39 0.11 1.17 1.05 0.00 0.00 0.00 173.10 175.82 1bda h GLU 78 N 0.03 0.11 -0.35 2.90 4.11 -1.93 -3.25 114.58 116.20 1bda h GLU 78 Ca -0.45 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1bda h GLU 78 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bda h GLU 78 CO 0.62 0.69 0.00 0.39 0.07 0.00 0.00 179.01 180.78 1bda n GLU 79 N -4.69 1.80 -0.82 1.06 1.02 -1.26 -4.94 120.64 112.81 1bda n GLU 79 Ca -0.08 -1.19 -0.33 0.00 -0.02 0.00 0.00 57.16 55.54 1bda n GLU 79 Cb 0.35 -1.28 0.13 0.00 -0.02 0.00 0.00 31.44 30.63 1bda n GLU 79 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bda n GLU 80 N 0.45 -0.25 -3.88 3.49 0.28 -1.21 -4.86 120.64 114.66 1bda n GLU 80 Ca 0.11 -0.02 -0.27 0.00 -0.16 0.00 0.00 57.16 56.83 1bda n GLU 80 Cb 0.29 -2.08 -0.17 0.00 1.43 0.00 0.00 31.44 30.92 1bda n GLU 80 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bda s GLN 81 N -3.93 1.35 -0.03 3.44 -0.21 -0.35 -4.97 119.66 114.96 1bda s GLN 81 Ca 0.62 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.71 1bda s GLN 81 Cb -0.24 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1bda s GLN 81 CO 0.62 -0.32 0.10 0.21 -2.12 0.00 0.00 175.29 173.78 1bda s LYS 82 N 1.73 3.18 -0.06 2.91 2.20 -1.26 -0.34 119.74 128.10 1bda s LYS 82 Ca 0.04 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.16 1bda s LYS 82 Cb -0.13 -2.94 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1bda s LYS 82 CO -0.08 0.68 0.23 -0.06 -0.36 0.00 0.00 175.35 175.77 1bda s PHE 83 N -1.16 -0.19 0.37 4.03 0.08 0.13 -5.01 117.98 116.23 1bda s PHE 83 Ca 0.21 0.42 -0.07 0.00 0.12 0.00 0.00 56.93 57.62 1bda s PHE 83 Cb -0.12 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.34 1bda s PHE 83 CO 0.12 -0.21 0.67 -1.21 -0.10 0.00 0.00 175.22 174.49 1bda s GLU 84 N -0.46 3.66 0.01 0.44 2.02 -1.26 -0.46 118.70 122.65 1bda s GLU 84 Ca -0.06 0.19 -0.25 0.00 0.02 0.00 0.00 54.97 54.87 1bda s GLU 84 Cb -0.04 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 1bda s GLU 84 CO 0.01 0.04 0.78 0.08 0.02 0.00 0.00 175.26 176.20 1bda s VAL 85 N -2.32 4.84 -0.15 2.63 1.01 -1.26 0.63 120.40 125.79 1bda s VAL 85 Ca 0.47 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.87 1bda s VAL 85 Cb -0.10 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 31.94 1bda s VAL 85 CO 0.33 0.30 0.54 -0.08 0.00 0.00 0.00 175.10 176.19 1bda h GLU 86 N 6.15 0.00 -2.90 2.72 4.57 -0.63 -3.43 114.58 121.08 1bda h GLU 86 Ca -0.43 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.83 1bda h GLU 86 Cb 1.20 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.75 1bda h GLU 86 CO 0.73 0.84 0.28 -1.59 -1.18 0.00 0.00 179.01 178.09 1bda s LYS 87 N -2.16 1.77 -0.15 1.92 -2.85 -1.19 -4.94 119.74 112.13 1bda s LYS 87 Ca -0.18 -1.01 -0.08 0.00 -1.00 0.00 0.00 55.97 53.70 1bda s LYS 87 Cb -0.01 0.58 0.06 0.00 -2.06 0.00 0.00 37.83 36.40 1bda s LYS 87 CO 0.57 -0.81 0.37 1.52 0.10 0.00 0.00 175.35 177.09 1bda s TYR 88 N -3.53 -0.54 -0.20 1.78 1.13 -1.26 -1.00 117.35 113.72 1bda s TYR 88 Ca 0.12 1.17 -0.11 0.00 -1.41 0.00 0.00 57.07 56.84 1bda s TYR 88 Cb -0.05 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 1bda s TYR 88 CO 0.07 -0.32 0.19 0.42 -2.51 0.00 0.00 175.55 173.40 1bda s ILE 89 N 1.46 5.36 -0.09 -3.49 1.01 0.16 -4.96 121.20 120.65 1bda s ILE 89 Ca -0.09 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1bda s ILE 89 Cb -0.09 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1bda s ILE 89 CO -0.12 0.40 -0.12 -0.69 0.00 0.00 0.00 174.94 174.41 1bda s VAL 90 N 0.58 3.24 -0.23 2.92 1.01 -1.26 -0.21 120.40 126.44 1bda s VAL 90 Ca 0.11 -0.63 -0.34 0.00 0.00 0.00 0.00 61.98 61.12 1bda s VAL 90 Cb -0.12 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1bda s VAL 90 CO 0.01 0.56 2.07 1.57 0.00 0.00 0.00 175.10 179.32 1bda n HIS 91 N 2.76 1.95 0.00 5.22 -0.00 -1.13 -4.79 115.22 119.23 1bda n HIS 91 Ca -0.18 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1bda n HIS 91 Cb 0.52 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.78 1bda n HIS 91 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1bda n LYS 92 N 7.65 0.00 0.00 1.57 5.02 -1.26 -0.76 118.16 130.38 1bda n LYS 92 Ca 0.32 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1bda n LYS 92 Cb 0.29 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1bda n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bda n GLU 93 N -1.16 2.20 -1.43 1.97 1.02 -1.26 -5.03 120.64 116.95 1bda n GLU 93 Ca 0.00 -1.25 -0.50 0.00 -0.02 0.00 0.00 57.16 55.39 1bda n GLU 93 Cb 0.20 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 1bda n GLU 93 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bda n PHE 94 N -0.38 1.41 -2.39 -0.32 7.35 0.06 -4.76 117.46 118.43 1bda n PHE 94 Ca 0.00 0.35 -0.37 0.00 -0.76 0.00 0.00 57.45 56.66 1bda n PHE 94 Cb 0.27 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.58 1bda n PHE 94 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1bda s ASP 95 N 7.72 6.01 0.64 -2.13 -1.08 0.14 -4.83 116.67 123.14 1bda s ASP 95 Ca 1.13 -0.92 0.22 0.00 -0.52 0.00 0.00 52.55 52.46 1bda s ASP 95 Cb -0.94 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 39.06 1bda s ASP 95 CO 0.50 -1.93 1.60 -0.78 0.52 0.00 0.00 175.17 175.07 1bda h ASP 96 N 10.65 0.00 -0.41 -0.34 3.58 -1.87 0.30 116.42 128.33 1bda h ASP 96 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1bda h ASP 96 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1bda h ASP 96 CO 1.33 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 178.16 1bda n ASP 97 N -3.07 2.64 0.00 2.28 8.00 -1.26 -4.43 116.55 120.72 1bda n ASP 97 Ca 0.05 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1bda n ASP 97 Cb 0.79 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1bda n ASP 97 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bda n THR 98 N 0.95 0.00 -2.74 -3.53 -2.24 0.61 -4.99 114.28 102.33 1bda n THR 98 Ca 0.17 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1bda n THR 98 Cb 0.44 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 1bda n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1bda n TYR 99 N 0.00 -1.52 -3.27 4.78 4.01 0.72 -4.92 117.16 116.97 1bda n TYR 99 Ca 0.00 0.25 -0.39 0.00 -0.16 0.00 0.00 57.90 57.60 1bda n TYR 99 Cb 0.28 -3.95 -0.06 0.00 -0.31 0.00 0.00 39.34 35.29 1bda n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1bda s ASP 100 N -2.37 6.60 0.00 7.72 2.15 -1.24 -3.74 116.67 125.80 1bda s ASP 100 Ca 0.16 0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1bda s ASP 100 Cb -0.07 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1bda s ASP 100 CO 0.19 -0.13 0.00 0.59 -0.17 0.00 0.00 175.17 175.66 1bda n ASN 101 N 4.47 -1.54 -2.03 -0.34 3.02 -1.26 0.26 115.26 117.83 1bda n ASN 101 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.37 1bda n ASN 101 Cb 0.51 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 39.02 1bda n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bda n ASP 102 N 1.71 5.26 -4.33 6.41 2.03 -1.24 -4.00 116.55 122.38 1bda n ASP 102 Ca 0.00 -2.47 -0.21 0.00 0.52 0.00 0.00 54.79 52.62 1bda n ASP 102 Cb 0.49 -1.41 -0.11 0.00 -0.72 0.00 0.00 41.12 39.38 1bda n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bda s ILE 103 N 1.05 1.79 -0.13 5.18 2.07 -1.26 -2.15 121.20 127.74 1bda s ILE 103 Ca 0.66 -1.92 -0.30 0.00 -1.41 0.00 0.00 60.65 57.69 1bda s ILE 103 Cb 0.31 -1.84 0.10 0.00 0.13 0.00 0.00 42.46 41.17 1bda s ILE 103 CO -0.00 -0.33 0.87 0.00 -1.91 0.00 0.00 174.94 173.57 1bda s ALA 104 N -2.08 -1.87 -0.10 1.50 0.00 -0.06 -2.84 121.76 116.31 1bda s ALA 104 Ca 0.16 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1bda s ALA 104 Cb -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1bda s ALA 104 CO 0.06 -0.33 -0.15 -0.51 0.00 0.00 0.00 175.76 174.84 1bda s LEU 105 N -0.97 2.63 -0.03 0.00 1.43 0.71 -0.71 118.68 121.73 1bda s LEU 105 Ca -0.05 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1bda s LEU 105 Cb -0.01 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1bda s LEU 105 CO 0.04 0.22 -0.12 -0.76 0.23 0.00 0.00 176.35 175.96 1bda s LEU 106 N 0.04 2.87 -0.23 1.79 1.02 0.21 0.38 118.68 124.76 1bda s LEU 106 Ca -0.05 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.88 1bda s LEU 106 Cb -0.15 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1bda s LEU 106 CO 0.04 0.32 -0.06 -1.58 0.02 0.00 0.00 176.35 175.10 1bda s GLN 107 N -0.98 3.21 0.26 1.70 0.74 -0.17 -1.20 119.66 123.21 1bda s GLN 107 Ca 0.13 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 1bda s GLN 107 Cb -0.11 -2.97 -0.10 0.00 1.10 0.00 0.00 33.01 30.93 1bda s GLN 107 CO 0.03 -0.25 1.47 -0.51 -0.55 0.00 0.00 175.29 175.48 1bda s LEU 108 N 1.43 4.38 -0.36 3.68 1.43 0.20 0.05 118.68 129.48 1bda s LEU 108 Ca 0.04 2.72 -0.25 0.00 -1.03 0.00 0.00 54.13 55.62 1bda s LEU 108 Cb -0.15 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1bda s LEU 108 CO -0.04 -0.75 0.89 -0.75 0.23 0.00 0.00 176.35 175.93 1bda s LYS 109 N -0.36 3.83 -0.16 1.70 2.20 0.21 -4.57 119.74 122.58 1bda s LYS 109 Ca 0.60 0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 56.63 1bda s LYS 109 Cb -0.43 -3.80 0.05 0.00 -1.51 0.00 0.00 37.83 32.14 1bda s LYS 109 CO 0.44 -0.91 0.41 0.45 -0.36 0.00 0.00 175.35 175.37 1bda s SER 110 N 1.85 -0.47 0.00 1.43 0.15 -1.26 -4.27 113.70 111.13 1bda s SER 110 Ca 0.36 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1bda s SER 110 Cb -0.12 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1bda s SER 110 CO 0.18 -0.17 0.67 -0.67 1.20 0.00 0.00 173.24 174.45 1bda n ASP 110 N 3.58 1.89 -0.01 5.45 2.03 -1.26 -4.97 116.55 123.26 1bda n ASP 110 Ca -0.18 -1.25 0.09 0.00 0.52 0.00 0.00 54.79 53.96 1bda n ASP 110 Cb 0.56 -0.36 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 1bda n ASP 110 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1bda n SER 110 N 1.19 1.04 -4.22 1.67 7.64 -1.26 -5.16 113.62 114.52 1bda n SER 110 Ca 0.00 -0.07 -0.39 0.00 1.01 0.00 0.00 58.87 59.42 1bda n SER 110 Cb 0.24 1.73 -0.10 0.00 -1.01 0.00 0.00 64.21 65.06 1bda n SER 110 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1bda s ARG 110 N -3.15 2.45 0.00 1.43 1.81 -1.26 -4.82 118.95 115.41 1bda s ARG 110 Ca -0.05 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 52.35 1bda s ARG 110 Cb 0.11 -3.76 0.00 0.00 -0.45 0.00 0.00 34.95 30.85 1bda s ARG 110 CO 0.71 -1.03 0.00 0.00 -0.68 0.00 0.00 175.30 174.30 1bda s ALA 112 N -3.37 3.25 -0.29 0.00 0.00 0.39 -5.02 121.76 116.72 1bda s ALA 112 Ca 0.00 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1bda s ALA 112 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1bda s ALA 112 CO 0.00 -0.16 0.22 -0.65 0.00 0.00 0.00 175.76 175.17 1bda s GLN 113 N 0.39 3.89 0.42 0.00 -0.21 -1.26 -4.69 119.66 118.20 1bda s GLN 113 Ca 0.50 -0.33 -0.23 0.00 0.02 0.00 0.00 55.36 55.32 1bda s GLN 113 Cb -0.24 -3.68 -0.11 0.00 1.00 0.00 0.00 33.01 29.97 1bda s GLN 113 CO 0.30 -0.23 0.83 -1.91 -2.12 0.00 0.00 175.29 172.15 1bda n GLU 114 N 5.10 1.01 -1.59 2.91 2.13 -1.26 -4.83 120.64 124.11 1bda n GLU 114 Ca -0.13 0.36 -0.01 0.00 0.66 0.00 0.00 57.16 58.04 1bda n GLU 114 Cb 0.51 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1bda n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1bda n SER 115 N 0.76 -0.36 0.26 4.31 3.41 0.29 -4.94 113.62 117.36 1bda n SER 115 Ca 0.11 -1.23 0.10 0.00 -0.26 0.00 0.00 58.87 57.58 1bda n SER 115 Cb 0.39 0.59 0.69 0.00 -0.26 0.00 0.00 64.21 65.62 1bda n SER 115 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1bda h SER 116 N 0.33 0.00 0.00 4.04 0.87 -1.99 -2.84 113.55 113.96 1bda h SER 116 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1bda h SER 116 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1bda h SER 116 CO 0.07 0.05 -0.08 1.33 -0.53 0.00 0.00 176.83 177.67 1bda n VAL 117 N -4.24 1.26 -3.35 2.23 0.24 -1.26 -4.70 118.33 108.51 1bda n VAL 117 Ca -0.03 -1.47 -0.18 0.00 -2.04 0.00 0.00 64.34 60.62 1bda n VAL 117 Cb 0.14 0.13 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 1bda n VAL 117 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bda s VAL 118 N -1.80 -0.25 0.06 3.34 1.01 -1.07 -3.07 120.40 118.60 1bda s VAL 118 Ca 0.18 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1bda s VAL 118 Cb 0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1bda s VAL 118 CO 0.02 -0.66 -0.18 -0.13 0.00 0.00 0.00 175.10 174.15 1bda s ARG 119 N 1.24 1.13 0.33 2.72 0.52 -0.62 -0.55 118.95 123.73 1bda s ARG 119 Ca 0.19 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1bda s ARG 119 Cb -0.14 -1.23 -0.09 0.00 0.52 0.00 0.00 34.95 34.01 1bda s ARG 119 CO -0.03 0.30 0.75 0.95 0.02 0.00 0.00 175.30 177.28 1bda s THR 120 N -0.94 4.68 0.51 0.02 -4.23 -1.26 -3.35 115.64 111.07 1bda s THR 120 Ca 0.04 0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 61.43 1bda s THR 120 Cb -0.09 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1bda s THR 120 CO 0.02 -0.22 0.83 -0.69 -0.54 0.00 0.00 174.62 174.03 1bda s VAL 121 N -2.03 4.81 -0.09 2.29 1.01 -0.44 -1.94 120.40 124.01 1bda s VAL 121 Ca 0.54 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 1bda s VAL 121 Cb -0.10 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1bda s VAL 121 CO 0.18 -0.88 0.61 0.00 0.00 0.00 0.00 175.10 175.01 1bda s LEU 123 N 0.71 3.97 0.47 0.00 1.43 -1.26 -0.91 118.68 123.08 1bda s LEU 123 Ca 0.33 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.18 1bda s LEU 123 Cb -0.17 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 1bda s LEU 123 CO 0.15 -0.66 1.16 -2.16 0.23 0.00 0.00 176.35 175.06 1bda s PRO 124 N -2.92 3.71 0.01 1.29 0.04 -1.22 -4.84 135.00 131.07 1bda s PRO 124 Ca 0.63 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 1bda s PRO 124 Cb -0.19 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1bda s PRO 124 CO 0.23 -0.59 1.09 -2.14 0.04 0.00 0.00 177.00 175.63 1bda s PRO 125 N -2.78 4.47 0.27 0.56 0.02 -1.26 -4.88 135.00 131.40 1bda s PRO 125 Ca 0.65 1.58 0.17 0.00 0.02 0.00 0.00 61.00 63.41 1bda s PRO 125 Cb -0.28 -3.44 0.95 0.00 0.02 0.00 0.00 34.50 31.75 1bda s PRO 125 CO 0.33 -0.20 1.08 0.00 -0.33 0.00 0.00 177.00 177.88 1bda n ALA 126 N 4.18 0.77 -0.23 -1.55 0.00 -1.26 0.36 120.51 122.77 1bda n ALA 126 Ca 0.08 0.67 -0.09 0.00 0.00 0.00 0.00 53.44 54.09 1bda n ALA 126 Cb 0.49 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.27 1bda n ALA 126 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bda n ASP 127 N -4.40 4.68 -4.51 0.00 5.75 -1.26 -4.91 116.55 111.90 1bda n ASP 127 Ca 0.26 -2.67 -0.43 0.00 -0.01 0.00 0.00 54.79 51.95 1bda n ASP 127 Cb 0.94 -0.85 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 1bda n ASP 127 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1bda s LEU 128 N -1.10 4.66 -0.54 -2.12 2.96 0.16 -5.00 118.68 117.70 1bda s LEU 128 Ca 0.19 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1bda s LEU 128 Cb 0.15 -2.49 0.16 0.00 0.50 0.00 0.00 46.19 44.51 1bda s LEU 128 CO 0.02 -0.59 0.38 -1.58 -1.32 0.00 0.00 176.35 173.26 1bda s GLN 129 N 2.32 1.63 0.46 1.98 0.74 -1.26 -5.02 119.66 120.50 1bda s GLN 129 Ca 0.15 -2.60 -0.25 0.00 0.05 0.00 0.00 55.36 52.72 1bda s GLN 129 Cb -0.16 -2.44 -0.08 0.00 1.10 0.00 0.00 33.01 31.43 1bda s GLN 129 CO 0.15 -1.30 1.37 -0.51 -0.55 0.00 0.00 175.29 174.45 1bda s LEU 130 N -0.51 4.09 1.22 3.68 1.43 -1.26 -4.98 118.68 122.35 1bda s LEU 130 Ca 0.26 2.80 -0.18 0.00 -1.03 0.00 0.00 54.13 55.98 1bda s LEU 130 Cb -0.06 -4.00 0.25 0.00 0.03 0.00 0.00 46.19 42.42 1bda s LEU 130 CO -0.14 -1.15 0.59 -2.65 0.23 0.00 0.00 176.35 173.22 1bda n PRO 131 N -0.27 -2.91 -0.96 1.29 -0.02 -1.26 -4.95 135.00 125.91 1bda n PRO 131 Ca 0.06 -0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 60.39 1bda n PRO 131 Cb 0.43 -1.86 0.15 0.00 -0.02 0.00 0.00 33.50 32.20 1bda n PRO 131 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bda s ASP 132 N -2.34 3.30 -0.15 2.55 1.01 -1.26 -3.43 116.67 116.34 1bda s ASP 132 Ca 0.59 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.70 1bda s ASP 132 Cb -0.15 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1bda s ASP 132 CO 0.58 -2.80 0.00 0.79 0.21 0.00 0.00 175.17 173.95 1bda n TRP 133 N -4.02 -1.34 -1.68 4.23 7.02 -0.48 -4.85 117.44 116.31 1bda n TRP 133 Ca 0.09 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.12 1bda n TRP 133 Cb 0.53 -1.20 -0.04 0.00 -2.42 0.00 0.00 31.31 28.18 1bda n TRP 133 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1bda n THR 134 N -1.73 0.05 -2.07 -0.99 -1.04 -1.22 -4.40 114.28 102.87 1bda n THR 134 Ca -0.02 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1bda n THR 134 Cb 0.24 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1bda n THR 134 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1bda s GLU 135 N 1.23 2.84 0.43 -2.82 2.12 -1.26 -1.44 118.70 119.81 1bda s GLU 135 Ca 0.79 0.76 0.05 0.00 0.36 0.00 0.00 54.97 56.93 1bda s GLU 135 Cb -0.62 -4.32 -0.06 0.00 0.26 0.00 0.00 34.13 29.38 1bda s GLU 135 CO 0.37 -2.47 0.01 0.00 -0.54 0.00 0.00 175.26 172.63 1bda s GLU 137 N -3.75 0.21 0.34 0.00 -1.05 -0.07 -0.19 118.70 114.19 1bda s GLU 137 Ca 0.28 0.24 0.10 0.00 -0.15 0.00 0.00 54.97 55.44 1bda s GLU 137 Cb 0.08 0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 1bda s GLU 137 CO 0.14 -0.03 -0.10 -0.48 0.95 0.00 0.00 175.26 175.75 1bda s LEU 138 N 0.08 2.74 -0.00 1.83 2.34 0.81 -1.40 118.68 125.07 1bda s LEU 138 Ca -0.00 -1.18 -0.20 0.00 0.06 0.00 0.00 54.13 52.81 1bda s LEU 138 Cb -0.01 -1.02 0.04 0.00 -0.56 0.00 0.00 46.19 44.63 1bda s LEU 138 CO 0.00 -0.19 0.43 -0.94 -1.06 0.00 0.00 176.35 174.59 1bda s SER 139 N -3.61 -0.33 0.00 1.48 1.04 -1.25 -0.21 113.70 110.82 1bda s SER 139 Ca 0.32 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1bda s SER 139 Cb 0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1bda s SER 139 CO 0.17 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1bda n GLY 140 N 0.93 1.77 2.14 7.32 0.00 -0.25 -4.26 105.19 112.85 1bda n GLY 140 Ca -0.20 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1bda n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bda n TYR 141 N 0.00 0.60 -1.82 1.61 4.01 -1.26 -1.72 117.16 118.58 1bda n TYR 141 Ca 0.00 -1.29 -0.31 0.00 -0.16 0.00 0.00 57.90 56.14 1bda n TYR 141 Cb 0.00 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 1bda n TYR 141 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bda s GLY 142 N -2.86 1.70 0.32 2.72 0.00 -1.26 -3.42 107.32 104.52 1bda s GLY 142 Ca 0.31 -0.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 1bda s GLY 142 CO -0.11 0.27 0.92 0.28 0.00 0.00 0.00 173.10 174.47 1bda n LYS 143 N -2.77 1.16 0.11 2.90 5.02 0.53 -3.74 118.16 121.38 1bda n LYS 143 Ca 0.07 0.41 0.02 0.00 -2.02 0.00 0.00 58.31 56.79 1bda n LYS 143 Cb 0.54 -1.78 0.37 0.00 -0.02 0.00 0.00 35.03 34.14 1bda n LYS 143 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bda h HIS 144 N 1.70 0.26 -3.74 2.13 3.86 -1.88 -3.44 115.15 114.04 1bda h HIS 144 Ca -0.40 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 58.66 1bda h HIS 144 Cb 1.35 -0.07 -0.17 0.00 1.06 0.00 0.00 27.41 29.58 1bda h HIS 144 CO 0.45 0.40 -0.48 -1.21 0.86 0.00 0.00 177.93 177.95 1bda s GLU 145 N -4.68 0.64 0.52 2.45 0.41 -1.26 -4.56 118.70 112.22 1bda s GLU 145 Ca -0.05 -0.75 0.20 0.00 -0.41 0.00 0.00 54.97 53.95 1bda s GLU 145 Cb 0.15 0.26 1.36 0.00 -1.78 0.00 0.00 34.13 34.12 1bda s GLU 145 CO 0.74 -0.17 2.14 0.00 -0.49 0.00 0.00 175.26 177.47 1bda h ALA 146 N 3.50 1.79 -0.10 5.21 0.00 -1.86 -2.02 119.26 125.78 1bda h ALA 146 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bda h ALA 146 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bda h ALA 146 CO 0.51 0.05 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1bda n LEU 147 N -4.28 1.98 -4.72 0.00 4.77 -1.26 -4.92 117.00 108.57 1bda n LEU 147 Ca -0.03 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1bda n LEU 147 Cb 0.13 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1bda n LEU 147 CO 0.33 0.37 0.68 -0.55 -1.33 0.00 0.00 177.39 176.88 1bda s SER 148 N -1.83 7.41 -0.00 -1.43 0.15 -0.76 -4.93 113.70 112.30 1bda s SER 148 Ca 0.35 1.72 0.02 0.00 0.70 0.00 0.00 55.95 58.74 1bda s SER 148 Cb 0.20 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 62.00 1bda s SER 148 CO 0.31 -0.20 0.97 -0.81 1.20 0.00 0.00 173.24 174.71 1bda n PRO 149 N 3.51 1.20 -4.10 5.44 -0.04 -1.26 -4.85 135.00 134.90 1bda n PRO 149 Ca 0.05 -0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.11 1bda n PRO 149 Cb 0.50 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1bda n PRO 149 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bda s PHE 150 N -1.77 0.66 0.01 0.54 0.08 -1.26 -5.14 117.98 111.10 1bda s PHE 150 Ca 0.05 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.51 1bda s PHE 150 Cb 0.03 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 42.02 1bda s PHE 150 CO 0.03 -0.06 0.54 0.71 -0.10 0.00 0.00 175.22 176.35 1bda s TYR 151 N -1.06 3.71 0.52 0.36 2.02 -1.26 -4.14 117.35 117.50 1bda s TYR 151 Ca -0.06 1.16 -0.20 0.00 -0.37 0.00 0.00 57.07 57.59 1bda s TYR 151 Cb -0.08 -2.52 -0.09 0.00 -0.40 0.00 0.00 41.96 38.87 1bda s TYR 151 CO 0.00 0.45 0.72 0.45 -1.57 0.00 0.00 175.55 175.60 1bda n SER 152 N 2.37 -0.18 -0.04 2.29 2.88 -1.22 -4.90 113.62 114.82 1bda n SER 152 Ca -0.09 0.84 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1bda n SER 152 Cb 0.51 -1.24 0.15 0.00 -0.75 0.00 0.00 64.21 62.88 1bda n SER 152 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1bda n GLU 153 N -0.09 0.13 -4.37 -1.46 0.28 -1.26 -4.59 120.64 109.28 1bda n GLU 153 Ca 0.12 -0.09 -0.19 0.00 -0.16 0.00 0.00 57.16 56.83 1bda n GLU 153 Cb 0.44 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.68 1bda n GLU 153 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1bda s ARG 154 N -2.93 0.89 0.03 3.44 3.52 -1.26 -1.13 118.95 121.49 1bda s ARG 154 Ca 0.12 -0.64 -0.33 0.00 -0.13 0.00 0.00 55.73 54.75 1bda s ARG 154 Cb 0.17 -0.86 -0.11 0.00 -1.56 0.00 0.00 34.95 32.58 1bda s ARG 154 CO 0.72 0.22 1.84 -0.11 -0.81 0.00 0.00 175.30 177.16 1bda n LEU 155 N 2.15 3.66 -4.83 -0.88 7.94 -0.23 -4.88 117.00 119.93 1bda n LEU 155 Ca -0.17 0.98 -0.36 0.00 -1.11 0.00 0.00 56.01 55.35 1bda n LEU 155 Cb 0.55 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 1bda n LEU 155 CO 0.23 0.01 -0.20 -1.59 -1.11 0.00 0.00 177.39 174.73 1bda s LYS 156 N 3.30 3.38 -0.03 1.96 -2.85 -0.70 -0.58 119.74 124.22 1bda s LYS 156 Ca 0.87 -0.19 0.05 0.00 -1.00 0.00 0.00 55.97 55.70 1bda s LYS 156 Cb -0.60 -3.12 -0.01 0.00 -2.06 0.00 0.00 37.83 32.05 1bda s LYS 156 CO 0.44 0.74 -0.18 -1.83 0.10 0.00 0.00 175.35 174.62 1bda s GLU 157 N -0.94 1.68 0.03 1.78 -1.05 -0.56 -1.09 118.70 118.54 1bda s GLU 157 Ca 0.14 -0.65 0.03 0.00 -0.15 0.00 0.00 54.97 54.35 1bda s GLU 157 Cb -0.12 -1.53 -0.02 0.00 -0.44 0.00 0.00 34.13 32.03 1bda s GLU 157 CO 0.03 0.33 -0.09 0.00 0.95 0.00 0.00 175.26 176.48 1bda s ALA 158 N -0.20 0.74 -0.16 -0.84 0.00 0.71 -1.82 121.76 120.19 1bda s ALA 158 Ca 0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1bda s ALA 158 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1bda s ALA 158 CO 0.01 0.10 -0.01 -1.01 0.00 0.00 0.00 175.76 174.84 1bda s HIS 159 N -0.86 3.08 0.20 0.00 0.09 -1.26 -0.14 115.29 116.40 1bda s HIS 159 Ca -0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 55.06 54.85 1bda s HIS 159 Cb -0.07 -1.98 -0.04 0.00 -0.00 0.00 0.00 32.58 30.49 1bda s HIS 159 CO 0.01 0.03 0.08 0.14 -0.00 0.00 0.00 174.74 175.00 1bda s VAL 160 N 0.30 0.32 -0.13 -0.90 -7.23 0.73 -4.77 120.40 108.72 1bda s VAL 160 Ca -0.02 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1bda s VAL 160 Cb -0.14 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1bda s VAL 160 CO 0.02 -0.19 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.37 1bda s ARG 161 N -4.05 3.35 0.32 4.82 0.52 0.04 0.50 118.95 124.44 1bda s ARG 161 Ca 0.33 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 1bda s ARG 161 Cb 0.07 -2.63 -0.11 0.00 0.52 0.00 0.00 34.95 32.80 1bda s ARG 161 CO 0.09 0.24 1.56 -0.51 0.02 0.00 0.00 175.30 176.70 1bda s LEU 162 N 0.29 4.34 0.48 2.53 1.43 -0.52 -1.82 118.68 125.40 1bda s LEU 162 Ca -0.09 2.97 -0.03 0.00 -1.03 0.00 0.00 54.13 55.95 1bda s LEU 162 Cb -0.16 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1bda s LEU 162 CO 0.05 -0.90 0.75 -0.31 0.23 0.00 0.00 176.35 176.18 1bda s TYR 163 N -0.32 3.42 0.30 0.29 1.51 -0.46 -1.39 117.35 120.70 1bda s TYR 163 Ca 0.60 0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 56.96 1bda s TYR 163 Cb -0.47 -2.34 -0.10 0.00 -0.11 0.00 0.00 41.96 38.95 1bda s TYR 163 CO 0.52 -0.35 1.13 -2.14 -1.11 0.00 0.00 175.55 173.59 1bda s PRO 164 N -4.69 4.56 0.30 -1.71 0.02 -1.26 -4.74 135.00 127.49 1bda s PRO 164 Ca 0.48 1.85 0.06 0.00 0.02 0.00 0.00 61.00 63.41 1bda s PRO 164 Cb -0.10 -3.12 0.82 0.00 0.02 0.00 0.00 34.50 32.11 1bda s PRO 164 CO 0.42 0.13 1.69 0.77 -0.33 0.00 0.00 177.00 179.67 1bda h SER 165 N 3.65 0.36 -0.36 2.53 0.02 -1.96 0.50 113.55 118.29 1bda h SER 165 Ca -0.47 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 60.75 1bda h SER 165 Cb 1.21 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1bda h SER 165 CO 0.66 -0.04 0.39 0.77 -1.14 0.00 0.00 176.83 177.47 1bda h SER 166 N 0.38 0.00 -0.01 3.07 4.64 -2.04 -1.24 113.55 118.35 1bda h SER 166 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1bda h SER 166 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1bda h SER 166 CO -0.56 0.00 -0.48 0.54 -0.87 0.00 0.00 176.83 175.46 1bda n ARG 167 N -3.75 1.77 -2.59 4.77 1.74 0.17 -4.68 116.66 114.10 1bda n ARG 167 Ca 0.06 -0.51 -0.43 0.00 -0.77 0.00 0.00 57.85 56.20 1bda n ARG 167 Cb 0.55 -1.26 0.01 0.00 -1.02 0.00 0.00 32.46 30.74 1bda n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bda s THR 169 N -0.37 0.13 0.63 0.00 -4.23 -1.26 -4.92 115.64 105.61 1bda s THR 169 Ca 0.37 -1.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.05 1bda s THR 169 Cb 0.07 -0.63 0.28 0.00 1.34 0.00 0.00 72.50 73.55 1bda s THR 169 CO 0.03 -0.57 1.44 0.28 -0.54 0.00 0.00 174.62 175.25 1bda h SER 169 N 4.11 0.00 0.20 3.99 0.02 -1.88 0.44 113.55 120.43 1bda h SER 169 Ca -0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1bda h SER 169 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1bda h SER 169 CO 0.47 0.00 -0.10 -0.61 -1.14 0.00 0.00 176.83 175.45 1bda h GLN 169 N 0.00 -0.26 0.00 3.45 5.75 -1.94 -0.55 115.11 121.56 1bda h GLN 169 Ca 0.24 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1bda h GLN 169 Cb 2.01 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.62 1bda h GLN 169 CO -0.00 -0.05 0.00 0.72 -2.65 0.00 0.00 178.83 176.84 1bda n HIS 170 N -5.14 0.00 -3.15 3.99 8.25 0.15 -3.86 115.22 115.47 1bda n HIS 170 Ca -0.09 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.11 1bda n HIS 170 Cb 0.19 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 1bda n HIS 170 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bda n LEU 171 N -1.46 3.55 -4.29 2.41 4.77 -0.97 -4.79 117.00 116.21 1bda n LEU 171 Ca 0.05 -5.46 -0.36 0.00 -0.03 0.00 0.00 56.01 50.21 1bda n LEU 171 Cb 0.19 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1bda n LEU 171 CO 0.16 2.23 -0.17 0.18 -1.33 0.00 0.00 177.39 178.45 1bda n LEU 172 N 0.31 -1.42 -0.07 2.23 4.77 -1.24 -1.31 117.00 120.27 1bda n LEU 172 Ca 0.29 -1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.14 1bda n LEU 172 Cb 0.43 -1.89 -0.00 0.00 -2.33 0.00 0.00 43.42 39.63 1bda n LEU 172 CO 0.34 0.29 -0.01 0.59 -1.33 0.00 0.00 177.39 177.27 1bda n ASN 173 N -2.69 -5.87 -3.47 -1.43 5.03 -0.25 -4.96 115.26 101.61 1bda n ASN 173 Ca -0.04 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1bda n ASN 173 Cb 0.55 -3.45 0.00 0.00 -1.02 0.00 0.00 39.78 35.85 1bda n ASN 173 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1bda n ARG 174 N 0.71 1.79 -4.66 3.52 5.12 -0.43 -5.00 116.66 117.71 1bda n ARG 174 Ca -0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.66 1bda n ARG 174 Cb 0.49 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.65 1bda n ARG 174 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1bda s THR 175 N 0.00 1.61 -0.20 0.55 2.01 -1.26 -4.67 115.64 113.69 1bda s THR 175 Ca 0.00 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 1bda s THR 175 Cb 0.00 -1.40 0.06 0.00 0.01 0.00 0.00 72.50 71.17 1bda s THR 175 CO 0.00 0.22 0.03 -0.69 -0.69 0.00 0.00 174.62 173.49 1bda s VAL 176 N -0.76 0.58 0.46 3.82 1.01 -1.26 -4.92 120.40 119.33 1bda s VAL 176 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1bda s VAL 176 Cb -0.09 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1bda s VAL 176 CO 0.01 -0.20 0.70 0.42 0.00 0.00 0.00 175.10 176.04 1bda s THR 177 N 1.83 4.26 0.00 3.92 -4.23 -1.26 -4.88 115.64 115.29 1bda s THR 177 Ca -0.01 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1bda s THR 177 Cb -0.17 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1bda s THR 177 CO -0.08 -0.47 1.42 -0.67 -0.54 0.00 0.00 174.62 174.28 1bda n ASP 178 N -2.14 3.87 0.00 3.99 -0.08 -1.26 -1.35 116.55 119.59 1bda n ASP 178 Ca 0.01 -2.02 0.00 0.00 -1.51 0.00 0.00 54.79 51.26 1bda n ASP 178 Cb 0.57 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1bda n ASP 178 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1bda n ASN 179 N 1.28 0.70 -4.47 1.67 3.02 -1.26 -5.00 115.26 111.20 1bda n ASN 179 Ca 0.00 -1.21 -0.29 0.00 -0.03 0.00 0.00 54.58 53.05 1bda n ASN 179 Cb 0.42 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 1bda n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bda s MET 180 N -0.21 1.76 -0.02 3.52 -1.94 -0.46 0.07 119.30 122.03 1bda s MET 180 Ca 0.00 -1.18 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1bda s MET 180 Cb 0.00 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.75 1bda s MET 180 CO 0.00 0.48 0.05 -0.48 -0.01 0.00 0.00 175.02 175.06 1bda s LEU 181 N -2.06 1.83 0.14 -0.03 0.05 0.20 -4.79 118.68 114.02 1bda s LEU 181 Ca 0.17 0.03 -0.05 0.00 0.05 0.00 0.00 54.13 54.33 1bda s LEU 181 Cb -0.10 0.20 -0.06 0.00 -2.05 0.00 0.00 46.19 44.18 1bda s LEU 181 CO 0.09 -0.07 0.37 0.00 -0.55 0.00 0.00 176.35 176.20 1bda s ALA 183 N -1.65 -1.89 0.01 0.00 0.00 -0.96 -1.35 121.76 115.93 1bda s ALA 183 Ca 0.41 2.30 -0.01 0.00 0.00 0.00 0.00 51.96 54.66 1bda s ALA 183 Cb -0.12 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1bda s ALA 183 CO 0.24 -0.36 0.05 0.41 0.00 0.00 0.00 175.76 176.10 1bda n GLY 184 N 3.82 1.59 3.84 0.00 0.00 -0.76 -2.43 105.19 111.26 1bda n GLY 184 Ca -0.18 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1bda n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bda s ASP 185 N -1.11 6.82 0.00 1.61 -1.08 -1.25 -0.78 116.67 120.87 1bda s ASP 185 Ca 0.01 1.08 0.19 0.00 -0.52 0.00 0.00 52.55 53.32 1bda s ASP 185 Cb -0.00 -2.29 -0.14 0.00 -1.46 0.00 0.00 42.92 39.03 1bda s ASP 185 CO 0.00 0.09 0.87 0.35 0.52 0.00 0.00 175.17 177.00 1bda n THR 186 N 0.74 0.00 -0.48 1.71 -2.24 -1.26 -4.78 114.28 107.97 1bda n THR 186 Ca -0.05 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1bda n THR 186 Cb 0.52 1.08 0.24 0.00 -2.10 0.00 0.00 70.33 70.06 1bda n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bda n ARG 186 N -0.99 -2.79 0.00 -0.78 1.74 -1.26 -5.01 116.66 107.57 1bda n ARG 186 Ca 0.05 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 1bda n ARG 186 Cb 0.34 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1bda n ARG 186 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bda n SER 186 N -4.00 0.00 -1.59 0.55 2.88 -1.26 -4.88 113.62 105.32 1bda n SER 186 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1bda n SER 186 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1bda n SER 186 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bda n GLY 186 N 0.00 -4.45 3.00 0.46 0.00 -1.26 -4.89 105.19 98.05 1bda n GLY 186 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 1bda n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bda n PRO 186 N -1.49 0.00 -4.09 1.61 -0.02 -1.26 -2.17 135.00 127.58 1bda n PRO 186 Ca 0.00 -0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1bda n PRO 186 Cb 0.17 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 1bda n PRO 186 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bda n GLN 186 N 4.43 -1.29 -2.40 -0.52 1.13 -1.26 -4.90 117.38 112.58 1bda n GLN 186 Ca 0.00 0.20 -0.40 0.00 -1.94 0.00 0.00 57.00 54.85 1bda n GLN 186 Cb 0.48 -3.54 -0.04 0.00 0.11 0.00 0.00 30.24 27.25 1bda n GLN 186 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bda s ALA 186 N -3.94 3.43 0.59 -1.58 0.00 -0.92 -4.99 121.76 114.36 1bda s ALA 186 Ca 0.20 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 1bda s ALA 186 Cb -0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1bda s ALA 186 CO 0.95 -0.27 1.14 0.27 0.00 0.00 0.00 175.76 177.84 1bda n ASN 186 N 1.25 1.54 -4.38 0.00 0.23 -1.26 -4.93 115.26 107.71 1bda n ASN 186 Ca -0.00 0.86 -0.32 0.00 -0.53 0.00 0.00 54.58 54.59 1bda n ASN 186 Cb 0.44 -1.47 -0.15 0.00 -2.08 0.00 0.00 39.78 36.52 1bda n ASN 186 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1bda s LEU 187 N -2.85 2.41 0.25 -4.53 1.43 -1.26 -4.88 118.68 109.24 1bda s LEU 187 Ca 0.76 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1bda s LEU 187 Cb -0.41 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 1bda s LEU 187 CO 0.46 0.31 1.04 -1.00 0.23 0.00 0.00 176.35 177.39 1bda s HIS 188 N -0.50 3.72 0.00 0.29 3.76 -1.26 -3.76 115.29 117.54 1bda s HIS 188 Ca 0.06 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 1bda s HIS 188 Cb -0.11 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1bda s HIS 188 CO 0.01 -0.21 0.00 -3.47 -0.85 0.00 0.00 174.74 170.22 1bda n ASP 189 N 1.52 0.00 -4.83 1.40 2.03 -1.14 -3.95 116.55 111.58 1bda n ASP 189 Ca -0.01 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.01 1bda n ASP 189 Cb 0.46 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.96 1bda n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bda s ALA 190 N -2.00 2.43 0.33 -1.67 0.00 -1.26 -4.83 121.76 114.75 1bda s ALA 190 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 1bda s ALA 190 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.19 1bda s ALA 190 CO 0.00 -1.86 0.71 0.00 0.00 0.00 0.00 175.76 174.61 1bda n GLN 192 N -0.50 0.55 0.00 0.00 3.00 -1.26 0.50 117.38 119.67 1bda n GLN 192 Ca -0.05 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1bda n GLN 192 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1bda n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bda n GLY 193 N 5.31 1.96 0.03 1.08 0.00 -1.26 -0.34 105.19 111.95 1bda n GLY 193 Ca 0.37 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.52 1bda n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bda n ASP 194 N 0.00 0.28 -4.68 1.61 8.00 0.18 -4.04 116.55 117.90 1bda n ASP 194 Ca 0.00 -0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.12 1bda n ASP 194 Cb 0.00 -0.14 0.08 0.00 -0.02 0.00 0.00 41.12 41.04 1bda n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bda n SER 195 N -1.37 1.39 0.00 -2.24 7.64 -1.26 -2.19 113.62 115.59 1bda n SER 195 Ca 0.08 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1bda n SER 195 Cb 0.32 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1bda n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bda n GLY 196 N 0.96 0.55 3.98 0.23 0.00 -0.67 -0.66 105.19 109.58 1bda n GLY 196 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1bda n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bda s GLY 197 N -2.00 1.85 0.61 -0.02 0.00 -0.93 -2.43 107.32 104.40 1bda s GLY 197 Ca 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 1bda s GLY 197 CO 0.00 -1.19 0.93 2.56 0.00 0.00 0.00 173.10 175.40 1bda s PRO 198 N -4.60 2.85 -0.25 2.90 0.04 -1.26 -1.11 135.00 133.57 1bda s PRO 198 Ca 0.56 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1bda s PRO 198 Cb -0.10 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.29 1bda s PRO 198 CO 0.36 -0.78 0.13 -1.17 0.04 0.00 0.00 177.00 175.59 1bda s LEU 199 N -5.05 0.41 0.28 -3.56 2.96 -0.89 -3.84 118.68 108.99 1bda s LEU 199 Ca 0.55 -1.01 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1bda s LEU 199 Cb -0.11 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 1bda s LEU 199 CO 0.46 -0.41 0.09 0.68 -1.32 0.00 0.00 176.35 175.85 1bda s VAL 200 N 2.14 3.67 0.06 1.68 -7.23 -0.49 -1.90 120.40 118.32 1bda s VAL 200 Ca 0.07 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1bda s VAL 200 Cb -0.16 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1bda s VAL 200 CO -0.27 -0.33 -0.03 0.00 -0.31 0.00 0.00 175.10 174.16 1bda s LEU 202 N -2.94 4.45 -0.25 0.00 2.96 -1.26 0.35 118.68 121.99 1bda s LEU 202 Ca 0.08 2.02 -0.02 0.00 -0.22 0.00 0.00 54.13 56.00 1bda s LEU 202 Cb 0.08 -3.83 0.13 0.00 0.50 0.00 0.00 46.19 43.07 1bda s LEU 202 CO -0.09 -0.10 0.35 0.21 -1.32 0.00 0.00 176.35 175.40 1bda s ASN 203 N -1.28 0.59 -1.47 3.68 3.84 0.22 -4.83 114.94 115.69 1bda s ASN 203 Ca 0.47 -0.04 -0.11 0.00 0.21 0.00 0.00 52.86 53.39 1bda s ASN 203 Cb -0.25 0.94 0.06 0.00 -0.55 0.00 0.00 41.25 41.45 1bda s ASN 203 CO 0.31 -0.32 1.00 -0.67 -2.79 0.00 0.00 177.10 174.63 1bda n ASP 204 N 5.35 -4.68 0.00 -4.21 2.03 -1.26 -0.63 116.55 113.15 1bda n ASP 204 Ca -0.03 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1bda n ASP 204 Cb 0.49 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 1bda n ASP 204 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bda n GLY 205 N -1.74 2.40 3.49 0.27 0.00 -1.26 -5.01 105.19 103.34 1bda n GLY 205 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1bda n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bda s ARG 206 N -0.16 2.12 -0.01 1.61 0.52 0.20 -4.96 118.95 118.28 1bda s ARG 206 Ca 0.00 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 1bda s ARG 206 Cb 0.00 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1bda s ARG 206 CO 0.00 0.54 1.44 -1.64 0.02 0.00 0.00 175.30 175.66 1bda s MET 207 N -1.59 4.26 -0.10 3.54 -1.94 0.34 0.72 119.30 124.53 1bda s MET 207 Ca 0.16 2.00 0.04 0.00 -1.71 0.00 0.00 55.69 56.17 1bda s MET 207 Cb -0.11 -3.62 0.00 0.00 2.01 0.00 0.00 34.83 33.12 1bda s MET 207 CO 0.07 -0.62 -0.22 0.99 -0.01 0.00 0.00 175.02 175.23 1bda s THR 208 N 2.62 1.91 0.10 2.05 2.01 0.16 -3.15 115.64 121.34 1bda s THR 208 Ca 0.65 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 61.41 1bda s THR 208 Cb -0.32 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 1bda s THR 208 CO 0.27 0.53 1.79 -0.22 -0.69 0.00 0.00 174.62 176.29 1bda s LEU 209 N 0.46 4.39 -0.09 4.42 2.96 -0.09 -1.52 118.68 129.21 1bda s LEU 209 Ca -0.17 2.68 0.04 0.00 -0.22 0.00 0.00 54.13 56.46 1bda s LEU 209 Cb -0.17 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1bda s LEU 209 CO 0.07 -0.98 -0.03 0.52 -1.32 0.00 0.00 176.35 174.61 1bda n VAL 210 N 4.79 0.59 -3.79 1.68 0.31 -0.80 -3.38 118.33 117.74 1bda n VAL 210 Ca 0.17 -0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 1bda n VAL 210 Cb 0.39 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.47 1bda n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bda s GLY 211 N -4.49 -0.06 -0.04 2.92 0.00 -1.13 -2.13 107.32 102.39 1bda s GLY 211 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.37 1bda s GLY 211 CO 0.30 -0.20 -0.08 -0.42 0.00 0.00 0.00 173.10 172.70 1bda s ILE 212 N -3.90 3.58 -0.43 0.90 1.01 -0.75 -2.08 121.20 119.52 1bda s ILE 212 Ca 0.11 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 1bda s ILE 212 Cb -0.03 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1bda s ILE 212 CO 0.02 0.54 1.84 -0.63 0.00 0.00 0.00 174.94 176.71 1bda s ILE 213 N -0.85 3.42 -0.12 2.92 1.01 -0.26 -0.10 121.20 127.22 1bda s ILE 213 Ca 0.14 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.02 1bda s ILE 213 Cb -0.11 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1bda s ILE 213 CO 0.03 -0.56 -0.27 -0.24 0.00 0.00 0.00 174.94 173.90 1bda n SER 214 N 11.39 1.74 -3.16 3.58 2.88 -1.09 -1.67 113.62 127.28 1bda n SER 214 Ca 0.23 0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 58.00 1bda n SER 214 Cb 0.49 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 63.32 1bda n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bda s TRP 215 N -2.69 0.10 0.00 0.66 1.48 -0.94 -4.95 118.94 112.60 1bda s TRP 215 Ca -0.23 -0.62 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 1bda s TRP 215 Cb 0.03 0.76 0.00 0.00 -1.16 0.00 0.00 33.47 33.11 1bda s TRP 215 CO 0.33 -1.19 0.00 0.41 -4.06 0.00 0.00 176.95 172.44 1bda n GLY 216 N -0.64 3.31 3.64 3.67 0.00 -1.26 -0.46 105.19 113.44 1bda n GLY 216 Ca -0.05 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1bda n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bda s LEU 217 N 0.00 4.04 0.00 0.99 1.43 -1.26 -4.75 118.68 119.13 1bda s LEU 217 Ca 0.00 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1bda s LEU 217 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1bda s LEU 217 CO 0.00 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 175.85 1bda n GLY 219 N 4.87 2.76 2.95 -3.19 0.00 -1.26 -4.49 105.19 106.83 1bda n GLY 219 Ca 0.22 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1bda n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bda n GLY 221 N 4.42 1.32 3.77 0.00 0.00 -1.26 -4.79 105.19 108.65 1bda n GLY 221 Ca 0.10 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1bda n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bda s GLN 221 N -0.96 4.40 0.75 1.61 -0.21 -1.26 -4.64 119.66 119.35 1bda s GLN 221 Ca 0.00 1.60 -0.12 0.00 0.02 0.00 0.00 55.36 56.86 1bda s GLN 221 Cb 0.00 -2.83 0.05 0.00 1.00 0.00 0.00 33.01 31.23 1bda s GLN 221 CO 0.00 0.05 1.11 -1.59 -2.12 0.00 0.00 175.29 172.74 1bda s LYS 222 N -2.02 2.27 -1.14 2.91 0.00 -1.26 -3.16 119.74 117.34 1bda s LYS 222 Ca 0.52 1.31 0.00 0.00 0.00 0.00 0.00 55.97 57.79 1bda s LYS 222 Cb -0.25 -1.89 0.00 0.00 0.00 0.00 0.00 37.83 35.69 1bda s LYS 222 CO 0.32 -1.65 0.00 -0.25 0.00 0.00 0.00 175.35 173.77 1bda n ASP 223 N -3.24 -5.06 -3.57 0.03 9.92 -1.26 -4.91 116.55 108.46 1bda n ASP 223 Ca 0.10 0.26 -0.27 0.00 -0.53 0.00 0.00 54.79 54.35 1bda n ASP 223 Cb 0.52 -3.85 -0.16 0.00 -0.64 0.00 0.00 41.12 36.99 1bda n ASP 223 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bda s VAL 224 N -1.86 -0.08 0.87 2.53 1.01 -1.19 -4.98 120.40 116.70 1bda s VAL 224 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1bda s VAL 224 Cb 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.72 1bda s VAL 224 CO 0.00 -0.50 1.12 -2.16 0.00 0.00 0.00 175.10 173.55 1bda s PRO 225 N 2.12 1.45 0.25 2.72 0.04 -1.26 -4.53 135.00 135.78 1bda s PRO 225 Ca 0.06 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1bda s PRO 225 Cb -0.16 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1bda s PRO 225 CO -0.23 -2.02 0.43 0.20 0.04 0.00 0.00 177.00 175.42 1bda s GLY 226 N -3.91 1.56 -0.18 0.56 0.00 -1.02 -4.61 107.32 99.72 1bda s GLY 226 Ca 0.63 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 44.37 1bda s GLY 226 CO 0.54 -0.89 0.01 0.14 0.00 0.00 0.00 173.10 172.91 1bda s VAL 227 N -2.01 4.21 0.27 1.40 1.01 0.39 -2.26 120.40 123.41 1bda s VAL 227 Ca 0.38 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 62.25 1bda s VAL 227 Cb -0.10 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1bda s VAL 227 CO 0.31 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.35 1bda s TYR 228 N 0.67 2.30 -0.10 5.22 1.51 0.19 -2.21 117.35 124.93 1bda s TYR 228 Ca 0.00 -0.33 -0.27 0.00 -1.01 0.00 0.00 57.07 55.46 1bda s TYR 228 Cb -0.14 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1bda s TYR 228 CO 0.02 0.68 0.89 0.99 -1.11 0.00 0.00 175.55 177.02 1bda s THR 229 N -2.38 4.88 -0.90 -0.71 2.01 0.86 0.63 115.64 120.03 1bda s THR 229 Ca 0.29 1.80 -0.25 0.00 0.31 0.00 0.00 61.69 63.84 1bda s THR 229 Cb -0.05 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 1bda s THR 229 CO 0.14 0.08 2.08 -0.54 -0.69 0.00 0.00 174.62 175.70 1bda s LYS 230 N 1.65 2.23 0.17 4.92 1.02 0.11 -1.80 119.74 128.04 1bda s LYS 230 Ca 0.44 -0.14 -0.21 0.00 0.02 0.00 0.00 55.97 56.08 1bda s LYS 230 Cb -0.18 -4.99 0.09 0.00 -0.52 0.00 0.00 37.83 32.23 1bda s LYS 230 CO 0.18 -3.81 1.61 0.28 -0.92 0.00 0.00 175.35 172.69 1bda h VAL 231 N 7.29 0.27 -0.99 3.17 2.07 -1.75 -1.21 116.25 125.09 1bda h VAL 231 Ca 0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1bda h VAL 231 Cb 1.00 0.27 -0.17 0.00 -1.52 0.00 0.00 31.29 30.87 1bda h VAL 231 CO 1.15 0.00 -0.35 0.35 0.02 0.00 0.00 177.57 178.74 1bda n THR 232 N -5.41 -0.49 -0.07 2.57 -2.24 -1.26 0.98 114.28 108.35 1bda n THR 232 Ca 0.02 2.31 0.14 0.00 -2.27 0.00 0.00 64.05 64.25 1bda n THR 232 Cb 0.33 -3.09 0.54 0.00 -2.10 0.00 0.00 70.33 66.01 1bda n THR 232 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1bda h ASN 233 N 0.00 0.29 -0.68 3.42 4.21 -1.61 -1.66 115.58 119.55 1bda h ASN 233 Ca 0.38 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.90 1bda h ASN 233 Cb 0.63 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1bda h ASN 233 CO -1.00 0.17 0.00 -1.22 -1.29 0.00 0.00 177.43 174.09 1bda n TYR 234 N -4.46 0.90 -0.18 1.19 4.02 0.27 -4.60 117.16 114.31 1bda n TYR 234 Ca 0.10 -0.45 -0.08 0.00 -0.01 0.00 0.00 57.90 57.46 1bda n TYR 234 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 1bda n TYR 234 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1bda h LEU 235 N 4.04 -1.33 -0.93 7.72 3.38 -0.64 0.39 115.31 127.94 1bda h LEU 235 Ca 0.00 0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1bda h LEU 235 Cb 0.92 0.62 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1bda h LEU 235 CO 0.00 -0.33 0.17 -2.24 0.09 0.00 0.00 178.44 176.13 1bda h ASP 236 N -0.23 0.89 -0.83 -0.43 3.04 -1.82 -0.37 116.42 116.67 1bda h ASP 236 Ca 0.19 -0.16 0.01 0.00 -3.24 0.00 0.00 57.03 53.82 1bda h ASP 236 Cb 0.56 -0.23 -0.04 0.00 -1.04 0.00 0.00 39.33 38.58 1bda h ASP 236 CO -0.65 0.85 0.54 -0.25 -2.04 0.00 0.00 179.24 177.70 1bda h TRP 237 N 0.92 1.06 0.00 4.15 7.01 -1.59 0.47 115.95 127.97 1bda h TRP 237 Ca 0.20 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1bda h TRP 237 Cb 0.30 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1bda h TRP 237 CO 0.02 0.68 -0.08 0.82 -2.79 0.00 0.00 178.44 177.09 1bda h ILE 238 N 1.13 0.29 0.10 2.65 2.04 -0.33 -2.22 117.51 121.17 1bda h ILE 238 Ca 0.30 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1bda h ILE 238 Cb -0.11 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1bda h ILE 238 CO -0.06 0.08 -0.05 -0.09 0.00 0.00 0.00 178.15 178.03 1bda h ARG 239 N 0.00 -0.12 0.78 2.37 9.65 0.15 -3.36 114.38 123.85 1bda h ARG 239 Ca -0.00 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1bda h ARG 239 Cb 0.41 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1bda h ARG 239 CO 0.01 0.39 -0.37 0.22 2.80 0.00 0.00 179.97 183.02 1bda h ASP 240 N -0.86 -0.89 0.00 -3.80 3.58 -0.77 -3.27 116.42 110.42 1bda h ASP 240 Ca -0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bda h ASP 240 Cb 0.58 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1bda h ASP 240 CO 0.02 -0.58 0.42 0.78 -2.88 0.00 0.00 179.24 177.00 1bda h ASN 241 N -1.15 0.00 -0.55 2.28 2.35 -1.59 -2.79 115.58 114.14 1bda h ASN 241 Ca -0.11 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.27 1bda h ASN 241 Cb 0.82 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.03 1bda h ASN 241 CO 0.18 0.00 0.48 0.23 -1.65 0.00 0.00 177.43 176.66 1bda n MET 242 N -2.26 1.92 -2.19 0.81 2.81 -1.23 -4.98 117.12 111.99 1bda n MET 242 Ca -0.01 -1.79 -0.42 0.00 -1.81 0.00 0.00 57.70 53.67 1bda n MET 242 Cb 0.44 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1bda n MET 242 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1bda s ARG 243 N -2.08 4.32 0.00 0.03 1.81 -1.05 -5.12 118.95 116.85 1bda s ARG 243 Ca 0.35 2.04 0.27 0.00 -1.72 0.00 0.00 55.73 56.67 1bda s ARG 243 Cb 0.28 -3.31 1.60 0.00 -0.45 0.00 0.00 34.95 33.07 1bda s ARG 243 CO -0.00 -0.45 1.95 -2.30 -0.68 0.00 0.00 175.30 173.82