#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkb n LYS 8 N 0.00 1.94 -1.63 3.52 0.00 -1.26 -3.56 118.16 117.17 3fkb n LYS 8 Ca 0.00 -1.62 -0.39 0.00 0.00 0.00 0.00 58.31 56.30 3fkb n LYS 8 Cb 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 35.03 33.61 3fkb n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3fkb n GLU 9 N 0.90 1.26 -4.08 1.64 2.13 -1.25 -4.66 120.64 116.58 3fkb n GLU 9 Ca 0.12 0.46 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 3fkb n GLU 9 Cb 0.55 -2.18 -0.11 0.00 0.27 0.00 0.00 31.44 29.97 3fkb n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fkb s ARG 10 N -2.41 0.58 0.07 5.31 0.52 -1.26 -0.91 118.95 120.85 3fkb s ARG 10 Ca 0.69 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3fkb s ARG 10 Cb -0.48 -0.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 3fkb s ARG 10 CO 0.52 0.04 -0.07 -0.08 0.02 0.00 0.00 175.30 175.74 3fkb s THR 11 N -1.75 0.60 -0.17 0.02 -1.32 -0.78 -4.71 115.64 107.51 3fkb s THR 11 Ca -0.06 -1.60 -0.07 0.00 -1.21 0.00 0.00 61.69 58.75 3fkb s THR 11 Cb -0.07 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3fkb s THR 11 CO -0.00 -0.69 0.05 0.12 -2.21 0.00 0.00 174.62 171.88 3fkb s PHE 12 N -2.78 3.23 -0.05 9.09 5.36 -1.26 -2.41 117.98 129.16 3fkb s PHE 12 Ca 0.03 0.04 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3fkb s PHE 12 Cb -0.00 -2.05 -0.00 0.00 -0.34 0.00 0.00 43.02 40.62 3fkb s PHE 12 CO -0.03 0.16 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.20 3fkb s LEU 13 N 0.29 1.92 -0.18 6.12 1.43 -0.09 -1.95 118.68 126.22 3fkb s LEU 13 Ca 0.03 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3fkb s LEU 13 Cb -0.12 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.09 3fkb s LEU 13 CO 0.01 0.15 -0.14 0.00 0.23 0.00 0.00 176.35 176.59 3fkb s ALA 14 N 0.10 2.09 -0.49 4.21 0.00 -0.46 -0.79 121.76 126.42 3fkb s ALA 14 Ca -0.06 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.49 3fkb s ALA 14 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.82 3fkb s ALA 14 CO 0.03 -0.57 0.95 0.08 0.00 0.00 0.00 175.76 176.25 3fkb s VAL 15 N 1.37 4.42 1.00 0.00 1.01 -0.34 -1.72 120.40 126.14 3fkb s VAL 15 Ca 0.02 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 3fkb s VAL 15 Cb -0.14 -4.48 0.19 0.00 0.00 0.00 0.00 36.38 31.95 3fkb s VAL 15 CO -0.10 -0.93 1.10 -0.54 0.00 0.00 0.00 175.10 174.64 3fkb s LYS 16 N 3.88 0.45 0.41 2.72 1.02 -0.35 -1.78 119.74 126.09 3fkb s LYS 16 Ca 0.36 0.42 0.22 0.00 0.02 0.00 0.00 55.97 57.00 3fkb s LYS 16 Cb -0.10 -1.75 1.20 0.00 -0.52 0.00 0.00 37.83 36.66 3fkb s LYS 16 CO 0.25 -2.69 1.74 -1.35 -0.92 0.00 0.00 175.35 172.37 3fkb h PRO 17 N -1.86 0.29 -0.29 -1.68 0.11 -1.84 0.11 132.00 126.84 3fkb h PRO 17 Ca -0.54 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.38 3fkb h PRO 17 Cb 1.33 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fkb h PRO 17 CO 0.58 0.19 -0.49 0.38 -0.21 0.00 0.00 178.00 178.46 3fkb h ASP 18 N 0.30 0.89 -0.69 -2.05 2.03 -1.88 -0.24 116.42 114.79 3fkb h ASP 18 Ca 0.65 -0.45 -0.06 0.00 -0.73 0.00 0.00 57.03 56.44 3fkb h ASP 18 Cb 1.79 -0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 40.01 3fkb h ASP 18 CO -0.32 1.22 0.19 1.23 -1.03 0.00 0.00 179.24 180.54 3fkb h GLY 19 N 0.82 1.17 0.72 7.15 0.00 -0.94 -1.58 103.07 110.41 3fkb h GLY 19 Ca 0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 3fkb h GLY 19 CO 0.11 0.66 -0.12 -2.08 0.00 0.00 0.00 176.54 175.11 3fkb h VAL 20 N 1.02 1.35 0.00 4.60 2.07 -1.18 -2.04 116.25 122.07 3fkb h VAL 20 Ca 0.22 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3fkb h VAL 20 Cb 0.34 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3fkb h VAL 20 CO -0.00 0.37 -0.08 0.00 0.02 0.00 0.00 177.57 177.87 3fkb h ALA 21 N 0.60 1.79 -0.20 1.67 0.00 -0.95 -1.60 119.26 120.57 3fkb h ALA 21 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fkb h ALA 21 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3fkb h ALA 21 CO 0.03 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.92 3fkb n ARG 22 N -4.34 1.70 -3.29 0.00 1.74 -0.60 -4.95 116.66 106.92 3fkb n ARG 22 Ca -0.03 -1.07 -0.17 0.00 -0.77 0.00 0.00 57.85 55.82 3fkb n ARG 22 Cb 0.16 -1.36 0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3fkb n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fkb n GLY 23 N 1.09 -0.24 0.65 -0.13 0.00 -0.60 -4.95 105.19 101.01 3fkb n GLY 23 Ca 0.15 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3fkb n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fkb n LEU 24 N -3.89 2.82 0.06 0.99 4.77 -0.77 -4.68 117.00 116.29 3fkb n LEU 24 Ca -0.09 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 53.93 3fkb n LEU 24 Cb 0.59 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 3fkb n LEU 24 CO 0.51 0.68 0.84 0.58 -1.33 0.00 0.00 177.39 178.68 3fkb h VAL 25 N 2.19 0.98 -0.51 4.08 2.07 -1.88 -1.76 116.25 121.42 3fkb h VAL 25 Ca 0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3fkb h VAL 25 Cb 0.70 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3fkb h VAL 25 CO 0.00 0.02 0.13 1.23 0.02 0.00 0.00 177.57 178.97 3fkb h GLY 26 N -0.08 0.87 0.55 2.17 0.00 -1.97 -1.61 103.07 103.00 3fkb h GLY 26 Ca -0.01 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.86 3fkb h GLY 26 CO 0.01 0.50 0.28 -2.09 0.00 0.00 0.00 176.54 175.23 3fkb h GLU 27 N 0.70 0.49 -0.10 4.80 4.57 -1.83 -0.43 114.58 122.78 3fkb h GLU 27 Ca 0.16 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 3fkb h GLU 27 Cb 0.32 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3fkb h GLU 27 CO -0.00 0.32 -0.08 0.82 -1.18 0.00 0.00 179.01 178.90 3fkb h ILE 28 N 0.51 1.34 -0.69 2.32 2.04 -1.14 -2.55 117.51 119.34 3fkb h ILE 28 Ca 0.29 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.99 3fkb h ILE 28 Cb 0.27 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3fkb h ILE 28 CO -0.24 0.33 0.44 0.40 0.00 0.00 0.00 178.15 179.09 3fkb h ILE 29 N -0.16 1.12 -0.90 -0.67 2.04 -1.11 -2.16 117.51 115.67 3fkb h ILE 29 Ca 0.02 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3fkb h ILE 29 Cb 0.57 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3fkb h ILE 29 CO 0.02 0.16 0.57 0.00 0.00 0.00 0.00 178.15 178.90 3fkb h ALA 30 N 1.28 1.21 -0.72 1.87 0.00 -1.05 -0.89 119.26 120.96 3fkb h ALA 30 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3fkb h ALA 30 Cb -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3fkb h ALA 30 CO -0.09 0.38 0.46 0.00 0.00 0.00 0.00 179.25 179.99 3fkb h ARG 31 N 1.08 0.86 -0.04 0.00 3.08 -0.95 0.38 114.38 118.78 3fkb h ARG 31 Ca 0.37 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.21 3fkb h ARG 31 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3fkb h ARG 31 CO -0.15 0.57 -0.70 1.88 -1.07 0.00 0.00 179.97 180.51 3fkb h TYR 32 N 0.89 0.30 -0.25 3.04 0.05 -1.19 -2.36 116.97 117.46 3fkb h TYR 32 Ca 0.29 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 3fkb h TYR 32 Cb 0.01 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3fkb h TYR 32 CO -0.04 0.85 -0.07 0.93 -1.05 0.00 0.00 178.16 178.78 3fkb h GLU 33 N 0.15 0.48 -0.22 4.88 5.08 -0.74 -2.44 114.58 121.78 3fkb h GLU 33 Ca -0.02 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3fkb h GLU 33 Cb 1.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3fkb h GLU 33 CO 0.11 0.71 -0.03 0.87 -1.00 0.00 0.00 179.01 179.67 3fkb h LYS 34 N 0.22 0.34 0.00 2.33 1.57 -0.92 -1.99 116.57 118.12 3fkb h LYS 34 Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3fkb h LYS 34 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fkb h LYS 34 CO 0.03 0.39 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.91 3fkb h LYS 35 N 0.33 0.00 0.00 3.15 1.63 -1.28 -3.46 116.57 116.94 3fkb h LYS 35 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3fkb h LYS 35 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3fkb h LYS 35 CO 0.01 0.17 0.00 0.41 -3.45 0.00 0.00 179.45 176.59 3fkb n GLY 36 N -0.51 0.86 3.80 5.01 0.00 -0.75 -5.10 105.19 108.51 3fkb n GLY 36 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3fkb n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fkb s PHE 37 N -2.00 3.64 -0.16 1.61 0.08 -0.93 -4.95 117.98 115.27 3fkb s PHE 37 Ca 0.00 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 3fkb s PHE 37 Cb 0.00 -2.73 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 3fkb s PHE 37 CO 0.00 0.27 0.24 0.08 -0.10 0.00 0.00 175.22 175.71 3fkb s VAL 38 N -1.59 5.34 -0.26 -0.44 1.01 -0.38 -4.37 120.40 119.71 3fkb s VAL 38 Ca 0.47 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3fkb s VAL 38 Cb -0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 3fkb s VAL 38 CO 0.22 0.44 1.27 -0.22 0.00 0.00 0.00 175.10 176.80 3fkb s LEU 39 N 0.21 3.97 0.00 3.92 2.96 -1.26 -0.24 118.68 128.24 3fkb s LEU 39 Ca 0.15 1.34 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 3fkb s LEU 39 Cb -0.13 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3fkb s LEU 39 CO 0.03 -0.97 0.61 1.33 -1.32 0.00 0.00 176.35 176.03 3fkb n VAL 40 N 5.93 0.00 -3.63 1.68 0.24 -0.00 -4.93 118.33 117.61 3fkb n VAL 40 Ca 0.14 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 3fkb n VAL 40 Cb 0.46 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 3fkb n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fkb s GLY 41 N -0.81 -0.57 -0.28 7.63 0.00 -1.13 -1.28 107.32 110.87 3fkb s GLY 41 Ca 0.07 2.16 -0.19 0.00 0.00 0.00 0.00 44.72 46.76 3fkb s GLY 41 CO 0.13 1.97 0.76 -2.27 0.00 0.00 0.00 173.10 173.68 3fkb s LEU 42 N 0.80 -0.81 -0.17 0.66 2.96 -1.26 -1.34 118.68 119.52 3fkb s LEU 42 Ca -0.03 1.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.95 3fkb s LEU 42 Cb -0.05 2.29 0.13 0.00 0.50 0.00 0.00 46.19 49.07 3fkb s LEU 42 CO -0.06 -0.22 1.04 -1.59 -1.32 0.00 0.00 176.35 174.20 3fkb s LYS 43 N 1.23 0.53 -0.11 1.98 -2.85 -0.68 -5.02 119.74 114.81 3fkb s LYS 43 Ca -0.07 0.11 -0.04 0.00 -1.00 0.00 0.00 55.97 54.97 3fkb s LYS 43 Cb -0.05 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 3fkb s LYS 43 CO -0.14 -0.17 0.05 -1.14 0.10 0.00 0.00 175.35 174.05 3fkb s GLN 44 N -1.20 3.29 0.21 1.78 0.74 -1.26 -0.63 119.66 122.60 3fkb s GLN 44 Ca -0.00 -0.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.91 3fkb s GLN 44 Cb -0.01 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.15 3fkb s GLN 44 CO -0.00 0.65 0.57 -0.48 -0.55 0.00 0.00 175.29 175.48 3fkb s LEU 45 N -0.70 -0.05 -0.40 3.68 2.34 -0.42 -4.97 118.68 118.15 3fkb s LEU 45 Ca 0.12 -0.49 -0.08 0.00 0.06 0.00 0.00 54.13 53.74 3fkb s LEU 45 Cb -0.12 2.29 0.08 0.00 -0.56 0.00 0.00 46.19 47.88 3fkb s LEU 45 CO 0.02 -1.12 0.22 -0.69 -1.06 0.00 0.00 176.35 173.73 3fkb s VAL 46 N -3.88 3.98 0.47 1.48 1.01 -1.26 -0.71 120.40 121.48 3fkb s VAL 46 Ca 0.10 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.39 3fkb s VAL 46 Cb -0.02 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3fkb s VAL 46 CO -0.01 -0.48 0.99 -2.65 0.00 0.00 0.00 175.10 172.95 3fkb n PRO 47 N 4.84 1.24 -3.36 2.72 -0.02 -1.26 -5.02 135.00 134.15 3fkb n PRO 47 Ca -0.09 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 3fkb n PRO 47 Cb 0.43 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3fkb n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fkb s THR 48 N -1.35 4.31 0.18 3.45 -4.23 -1.26 -4.54 115.64 112.20 3fkb s THR 48 Ca 0.66 -0.77 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 3fkb s THR 48 Cb -0.52 -3.54 0.07 0.00 1.34 0.00 0.00 72.50 69.85 3fkb s THR 48 CO 0.55 -0.28 1.80 0.50 -0.54 0.00 0.00 174.62 176.65 3fkb h LYS 49 N 0.75 0.54 -0.56 3.99 3.64 -1.95 -1.72 116.57 121.25 3fkb h LYS 49 Ca -0.47 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 3fkb h LYS 49 Cb 1.25 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3fkb h LYS 49 CO 0.56 0.36 0.18 -0.44 -2.27 0.00 0.00 179.45 177.83 3fkb h ASP 50 N 0.55 0.77 -0.17 4.20 5.19 -1.99 0.45 116.42 125.43 3fkb h ASP 50 Ca 0.21 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3fkb h ASP 50 Cb 0.07 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 3fkb h ASP 50 CO -0.12 0.73 -0.02 0.25 -3.12 0.00 0.00 179.24 176.96 3fkb h LEU 51 N 0.82 0.31 -0.66 1.55 5.85 -1.90 -2.84 115.31 118.42 3fkb h LEU 51 Ca 0.19 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3fkb h LEU 51 Cb 0.24 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3fkb h LEU 51 CO -0.01 0.58 0.33 0.00 -0.34 0.00 0.00 178.44 179.00 3fkb h ALA 52 N 0.75 0.85 -0.35 1.25 0.00 -0.96 -0.87 119.26 119.92 3fkb h ALA 52 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fkb h ALA 52 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fkb h ALA 52 CO 0.01 0.40 -0.03 0.93 0.00 0.00 0.00 179.25 180.57 3fkb h GLU 53 N 0.91 0.56 -0.11 0.00 5.08 -0.92 -1.42 114.58 118.69 3fkb h GLU 53 Ca 0.23 -0.13 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 3fkb h GLU 53 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3fkb h GLU 53 CO -0.03 0.61 -0.79 0.77 -1.00 0.00 0.00 179.01 178.56 3fkb h SER 54 N 0.53 0.75 -0.52 1.42 0.02 -1.26 -2.42 113.55 112.07 3fkb h SER 54 Ca 0.11 -0.50 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3fkb h SER 54 Cb 0.38 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3fkb h SER 54 CO 0.02 1.28 0.29 -0.74 -1.14 0.00 0.00 176.83 176.54 3fkb h HIS 55 N 0.41 0.54 -0.87 3.45 -0.00 -0.57 -2.66 115.15 115.45 3fkb h HIS 55 Ca -0.05 0.02 -0.39 0.00 -0.00 0.00 0.00 60.37 59.95 3fkb h HIS 55 Cb 1.40 -0.17 -0.23 0.00 -0.00 0.00 0.00 27.41 28.42 3fkb h HIS 55 CO 0.07 0.29 0.47 0.66 -0.00 0.00 0.00 177.93 179.42 3fkb n TYR 56 N -4.83 2.74 -0.23 5.26 4.01 -0.59 -4.72 117.16 118.80 3fkb n TYR 56 Ca 0.04 -1.59 0.23 0.00 -0.16 0.00 0.00 57.90 56.43 3fkb n TYR 56 Cb 0.11 -0.83 0.59 0.00 -0.31 0.00 0.00 39.34 38.90 3fkb n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fkb h ALA 57 N 1.64 2.46 0.00 -0.72 0.00 -1.06 -0.46 119.26 121.11 3fkb h ALA 57 Ca 0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3fkb h ALA 57 Cb 2.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3fkb h ALA 57 CO 0.93 -0.75 0.00 1.05 0.00 0.00 0.00 179.25 180.48 3fkb h GLU 58 N 0.25 0.00 -0.35 0.00 4.11 -1.86 -2.09 114.58 114.64 3fkb h GLU 58 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 3fkb h GLU 58 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3fkb h GLU 58 CO -0.13 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.67 3fkb n HIS 59 N -2.72 0.46 0.00 2.06 8.25 -0.18 -4.71 115.22 118.38 3fkb n HIS 59 Ca -0.01 -0.41 0.23 0.00 -0.26 0.00 0.00 57.72 57.26 3fkb n HIS 59 Cb 0.13 -0.02 0.72 0.00 1.12 0.00 0.00 29.99 31.94 3fkb n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3fkb h LYS 60 N 2.45 0.00 -0.04 -0.41 2.10 -1.40 0.75 116.57 120.02 3fkb h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fkb h LYS 60 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 3fkb h LYS 60 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 3fkb n GLU 61 N -3.91 1.88 -3.73 0.07 -0.58 -1.26 -4.93 120.64 108.18 3fkb n GLU 61 Ca 0.11 -1.29 -0.32 0.00 -0.42 0.00 0.00 57.16 55.25 3fkb n GLU 61 Cb 0.74 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 3fkb n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3fkb s ARG 62 N -1.97 3.58 0.59 3.49 0.52 0.26 -5.01 118.95 120.41 3fkb s ARG 62 Ca 0.35 -0.15 0.32 0.00 -0.52 0.00 0.00 55.73 55.73 3fkb s ARG 62 Cb 0.21 -2.92 1.85 0.00 0.52 0.00 0.00 34.95 34.60 3fkb s ARG 62 CO 0.32 0.52 2.24 -1.00 0.02 0.00 0.00 175.30 177.40 3fkb h PRO 63 N 3.04 0.00 -0.18 3.54 0.13 -1.92 -2.41 132.00 134.20 3fkb h PRO 63 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3fkb h PRO 63 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3fkb h PRO 63 CO 0.72 0.02 0.00 1.97 -0.23 0.00 0.00 178.00 180.48 3fkb n PHE 64 N -3.69 0.23 0.02 1.56 1.16 -1.26 -4.15 117.46 111.33 3fkb n PHE 64 Ca -0.03 -0.12 -0.12 0.00 -1.87 0.00 0.00 57.45 55.32 3fkb n PHE 64 Cb 0.11 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.92 3fkb n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3fkb h PHE 65 N 2.53 0.05 -0.97 2.97 3.57 -1.63 -1.23 116.94 122.23 3fkb h PHE 65 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3fkb h PHE 65 Cb 0.55 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 3fkb h PHE 65 CO 0.12 0.03 0.63 0.78 -2.23 0.00 0.00 178.31 177.63 3fkb h GLY 66 N 0.05 1.47 0.97 2.40 0.00 -1.80 -0.84 103.07 105.32 3fkb h GLY 66 Ca 0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3fkb h GLY 66 CO -0.00 0.29 -0.08 -1.33 0.00 0.00 0.00 176.54 175.43 3fkb h GLY 67 N 1.09 0.81 1.00 4.60 0.00 -1.70 0.95 103.07 109.82 3fkb h GLY 67 Ca 0.43 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3fkb h GLY 67 CO -0.18 0.60 0.27 1.41 0.00 0.00 0.00 176.54 178.64 3fkb h LEU 68 N 0.56 0.86 -0.13 3.11 3.38 -0.68 -0.97 115.31 121.44 3fkb h LEU 68 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3fkb h LEU 68 Cb 0.59 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3fkb h LEU 68 CO 0.04 0.78 -0.01 0.58 0.09 0.00 0.00 178.44 179.91 3fkb h VAL 69 N 0.88 1.27 -0.91 1.22 2.07 -1.06 -2.38 116.25 117.34 3fkb h VAL 69 Ca 0.21 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3fkb h VAL 69 Cb 0.17 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3fkb h VAL 69 CO -0.02 0.25 0.56 0.28 0.02 0.00 0.00 177.57 178.67 3fkb h SER 70 N -0.05 1.08 -0.18 0.57 0.02 -0.69 -2.80 113.55 111.48 3fkb h SER 70 Ca 0.03 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3fkb h SER 70 Cb 0.40 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3fkb h SER 70 CO 0.01 0.82 -0.21 0.15 -1.14 0.00 0.00 176.83 176.45 3fkb h PHE 71 N 1.25 0.57 0.00 3.45 3.57 -1.13 -2.40 116.94 122.25 3fkb h PHE 71 Ca 0.33 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3fkb h PHE 71 Cb -0.08 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3fkb h PHE 71 CO -0.00 0.85 0.00 0.97 -2.23 0.00 0.00 178.31 177.90 3fkb h ILE 72 N 0.13 0.00 -0.32 1.41 2.10 -1.38 -1.86 117.51 117.59 3fkb h ILE 72 Ca 0.03 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.76 3fkb h ILE 72 Cb 0.77 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3fkb h ILE 72 CO 0.05 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.47 3fkb n THR 73 N -2.35 0.57 1.00 2.19 -2.24 -1.06 -4.29 114.28 108.09 3fkb n THR 73 Ca 0.01 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 3fkb n THR 73 Cb 0.20 0.87 0.56 0.00 -2.10 0.00 0.00 70.33 69.86 3fkb n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3fkb n SER 74 N 1.05 0.09 -2.20 3.42 3.41 -0.70 -4.77 113.62 113.92 3fkb n SER 74 Ca 0.15 0.38 0.01 0.00 -0.26 0.00 0.00 58.87 59.15 3fkb n SER 74 Cb 0.49 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3fkb n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fkb n GLY 75 N 1.50 0.49 3.72 5.00 0.00 -1.26 -5.11 105.19 109.53 3fkb n GLY 75 Ca 0.07 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3fkb n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fkb n PRO 76 N -0.39 2.33 -4.40 1.61 -0.04 -1.26 -4.49 135.00 128.36 3fkb n PRO 76 Ca 0.02 0.82 -0.19 0.00 -0.04 0.00 0.00 63.50 64.10 3fkb n PRO 76 Cb 0.25 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.10 3fkb n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fkb s VAL 77 N -0.94 0.92 -0.34 0.52 1.01 0.11 -3.64 120.40 118.04 3fkb s VAL 77 Ca 0.56 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3fkb s VAL 77 Cb -0.54 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3fkb s VAL 77 CO 0.61 0.12 0.12 -0.69 0.00 0.00 0.00 175.10 175.25 3fkb s VAL 78 N -0.53 3.96 -0.04 2.92 1.01 -0.74 -1.31 120.40 125.67 3fkb s VAL 78 Ca 0.02 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3fkb s VAL 78 Cb -0.06 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3fkb s VAL 78 CO 0.00 -0.14 0.43 0.00 0.00 0.00 0.00 175.10 175.39 3fkb s ALA 79 N 1.45 3.62 0.05 5.51 0.00 0.19 -1.20 121.76 131.38 3fkb s ALA 79 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 3fkb s ALA 79 Cb -0.19 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3fkb s ALA 79 CO 0.03 0.31 0.06 -1.64 0.00 0.00 0.00 175.76 174.53 3fkb s MET 80 N -0.48 0.61 -0.07 0.00 1.00 0.03 -1.69 119.30 118.69 3fkb s MET 80 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 55.69 55.02 3fkb s MET 80 Cb -0.16 0.23 0.02 0.00 0.00 0.00 0.00 34.83 34.92 3fkb s MET 80 CO 0.12 -0.14 -0.05 0.08 0.00 0.00 0.00 175.02 175.02 3fkb s VAL 81 N -3.08 0.69 0.04 -6.03 1.01 -0.45 -0.91 120.40 111.67 3fkb s VAL 81 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3fkb s VAL 81 Cb 0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3fkb s VAL 81 CO -0.07 0.28 -0.17 -0.36 0.00 0.00 0.00 175.10 174.78 3fkb s PHE 82 N 1.30 2.58 -0.00 5.22 0.08 -1.01 -0.82 117.98 125.32 3fkb s PHE 82 Ca -0.04 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.84 3fkb s PHE 82 Cb -0.14 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3fkb s PHE 82 CO -0.02 0.26 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.11 3fkb s GLU 83 N -1.44 2.08 0.00 0.44 2.12 0.66 -1.87 118.70 120.69 3fkb s GLU 83 Ca 0.15 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.53 3fkb s GLU 83 Cb -0.11 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3fkb s GLU 83 CO 0.05 0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 3fkb n GLY 84 N 2.22 2.42 3.69 -1.50 0.00 -0.09 -1.25 105.19 110.69 3fkb n GLY 84 Ca -0.16 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 3fkb n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fkb n LYS 85 N -0.93 2.57 -2.32 1.61 4.81 -1.26 -2.17 118.16 120.46 3fkb n LYS 85 Ca 0.00 0.93 -0.13 0.00 -0.87 0.00 0.00 58.31 58.24 3fkb n LYS 85 Cb 0.00 -2.77 -0.01 0.00 0.02 0.00 0.00 35.03 32.26 3fkb n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fkb n GLY 86 N 3.95 -0.32 0.29 3.14 0.00 -1.26 -4.85 105.19 106.14 3fkb n GLY 86 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3fkb n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fkb h VAL 87 N 0.00 1.03 0.65 1.61 3.04 -1.73 -1.71 116.25 119.14 3fkb h VAL 87 Ca -0.30 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.27 3fkb h VAL 87 Cb 1.18 0.76 0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3fkb h VAL 87 CO 0.36 0.05 -0.31 0.58 -1.01 0.00 0.00 177.57 177.24 3fkb h VAL 88 N 0.26 0.32 -0.35 1.51 2.07 -1.86 0.35 116.25 118.56 3fkb h VAL 88 Ca 0.08 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3fkb h VAL 88 Cb 0.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3fkb h VAL 88 CO -0.02 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.40 3fkb h ALA 89 N -0.66 1.02 -0.41 1.67 0.00 -1.86 -2.83 119.26 116.18 3fkb h ALA 89 Ca -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3fkb h ALA 89 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3fkb h ALA 89 CO 0.15 0.59 0.07 1.03 0.00 0.00 0.00 179.25 181.08 3fkb h SER 90 N 0.58 0.65 -0.81 0.00 0.87 -1.27 -2.04 113.55 111.53 3fkb h SER 90 Ca 0.09 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3fkb h SER 90 Cb 0.65 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 3fkb h SER 90 CO 0.05 0.74 0.47 0.00 -0.53 0.00 0.00 176.83 177.56 3fkb h ALA 91 N 0.93 1.29 -0.47 6.23 0.00 -0.83 -0.17 119.26 126.24 3fkb h ALA 91 Ca 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3fkb h ALA 91 Cb 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fkb h ALA 91 CO 0.01 0.59 0.08 0.00 0.00 0.00 0.00 179.25 179.93 3fkb h ARG 92 N 1.13 0.78 -0.67 0.00 2.47 -1.32 -1.75 114.38 115.03 3fkb h ARG 92 Ca 0.29 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 3fkb h ARG 92 Cb -0.01 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 3fkb h ARG 92 CO -0.05 0.79 0.27 1.25 0.56 0.00 0.00 179.97 182.79 3fkb h LEU 93 N 0.65 0.90 -1.31 3.04 5.85 -0.78 -0.97 115.31 122.70 3fkb h LEU 93 Ca 0.14 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3fkb h LEU 93 Cb 0.39 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3fkb h LEU 93 CO 0.01 0.80 -0.29 0.24 -0.34 0.00 0.00 178.44 178.86 3fkb h MET 94 N 0.96 0.00 0.18 1.25 2.86 -0.71 -3.11 114.93 116.36 3fkb h MET 94 Ca 0.23 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.63 3fkb h MET 94 Cb 0.18 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.87 3fkb h MET 94 CO -0.02 0.29 -1.03 0.82 1.06 0.00 0.00 176.91 178.03 3fkb h ILE 95 N 0.00 1.44 0.00 -1.22 2.04 -0.59 -0.40 117.51 118.78 3fkb h ILE 95 Ca -0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 3fkb h ILE 95 Cb 0.67 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 3fkb h ILE 95 CO 0.04 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.55 3fkb n GLY 96 N 1.69 0.23 3.84 5.37 0.00 -0.44 -0.81 105.19 115.06 3fkb n GLY 96 Ca -0.15 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.58 3fkb n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fkb s VAL 97 N 0.00 2.60 0.25 1.61 -7.23 -1.26 -4.68 120.40 111.69 3fkb s VAL 97 Ca 0.00 -1.44 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 3fkb s VAL 97 Cb 0.00 -3.00 0.30 0.00 0.56 0.00 0.00 36.38 34.23 3fkb s VAL 97 CO 0.00 -0.01 1.62 0.74 -0.31 0.00 0.00 175.10 177.14 3fkb h THR 98 N 1.15 0.29 -3.56 5.32 2.02 -1.98 -3.35 112.91 112.80 3fkb h THR 98 Ca -0.42 -0.02 -0.63 0.00 0.77 0.00 0.00 66.41 66.11 3fkb h THR 98 Cb 1.26 0.22 -0.13 0.00 -1.74 0.00 0.00 68.15 67.76 3fkb h THR 98 CO 0.61 0.01 0.22 0.21 0.37 0.00 0.00 175.52 176.94 3fkb s ASN 99 N -5.19 6.46 0.47 4.18 2.47 -1.26 -4.68 114.94 117.39 3fkb s ASN 99 Ca -0.14 0.17 0.15 0.00 0.42 0.00 0.00 52.86 53.47 3fkb s ASN 99 Cb 0.23 -2.35 1.13 0.00 -1.45 0.00 0.00 41.25 38.81 3fkb s ASN 99 CO 0.75 -0.66 2.04 -0.65 -3.72 0.00 0.00 177.10 174.86 3fkb h PRO 100 N 8.52 0.24 0.00 0.43 0.11 -1.83 -1.50 132.00 137.96 3fkb h PRO 100 Ca -0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3fkb h PRO 100 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fkb h PRO 100 CO 0.87 0.16 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.59 3fkb h LEU 101 N 0.25 0.00 -1.24 2.35 3.38 -1.80 -2.05 115.31 116.21 3fkb h LEU 101 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fkb h LEU 101 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fkb h LEU 101 CO -0.03 0.16 -0.22 0.00 0.09 0.00 0.00 178.44 178.43 3fkb n ALA 102 N -2.32 2.99 -2.11 1.53 0.00 -0.60 -4.92 120.51 115.09 3fkb n ALA 102 Ca -0.02 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.42 3fkb n ALA 102 Cb 0.27 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3fkb n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fkb s SER 103 N -2.26 7.48 0.42 0.00 0.01 -0.77 -4.87 113.70 113.72 3fkb s SER 103 Ca 0.25 1.89 -0.25 0.00 1.31 0.00 0.00 55.95 59.16 3fkb s SER 103 Cb 0.19 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 3fkb s SER 103 CO 0.44 -0.05 1.20 0.00 0.41 0.00 0.00 173.24 175.25 3fkb s ALA 104 N -0.32 3.12 0.44 1.44 0.00 -1.26 -4.31 121.76 120.86 3fkb s ALA 104 Ca 0.46 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 53.19 3fkb s ALA 104 Cb -0.25 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 3fkb s ALA 104 CO 0.31 -0.65 1.45 -0.35 0.00 0.00 0.00 175.76 176.52 3fkb n PRO 105 N -0.09 2.35 0.00 0.00 -0.04 -1.26 -1.93 135.00 134.03 3fkb n PRO 105 Ca 0.05 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3fkb n PRO 105 Cb 0.46 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 3fkb n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fkb n GLY 106 N 0.55 1.69 3.90 0.55 0.00 -1.26 -4.97 105.19 105.65 3fkb n GLY 106 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3fkb n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkb s SER 107 N -0.23 5.93 0.08 1.61 1.04 -0.81 -4.90 113.70 116.42 3fkb s SER 107 Ca 0.00 1.03 -0.25 0.00 0.48 0.00 0.00 55.95 57.21 3fkb s SER 107 Cb 0.00 -2.10 -0.16 0.00 0.10 0.00 0.00 66.02 63.85 3fkb s SER 107 CO 0.00 -0.92 1.68 0.40 0.98 0.00 0.00 173.24 175.39 3fkb h ILE 108 N -0.18 0.87 -0.10 -1.02 2.04 -0.95 -0.57 117.51 117.60 3fkb h ILE 108 Ca -0.45 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 3fkb h ILE 108 Cb 1.22 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3fkb h ILE 108 CO 0.62 0.02 -0.42 0.03 0.00 0.00 0.00 178.15 178.40 3fkb h ARG 109 N -0.23 0.21 -0.27 2.37 3.08 -1.24 -0.99 114.38 117.31 3fkb h ARG 109 Ca -0.02 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3fkb h ARG 109 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3fkb h ARG 109 CO 0.03 0.60 -0.18 0.78 -1.07 0.00 0.00 179.97 180.13 3fkb h GLY 110 N 1.23 0.52 1.33 0.04 0.00 -1.66 -0.57 103.07 103.96 3fkb h GLY 110 Ca 0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 47.33 46.74 3fkb h GLY 110 CO 0.06 0.36 -1.33 -0.55 0.00 0.00 0.00 176.54 175.08 3fkb h ASP 111 N 0.44 0.00 0.00 0.19 3.32 -0.86 -3.42 116.42 116.09 3fkb h ASP 111 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fkb h ASP 111 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fkb h ASP 111 CO 0.04 0.83 0.00 0.49 -1.72 0.00 0.00 179.24 178.87 3fkb n PHE 112 N -3.09 0.00 -4.39 4.55 3.72 -0.40 -5.07 117.46 112.78 3fkb n PHE 112 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 3fkb n PHE 112 Cb 0.93 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.38 3fkb n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3fkb s GLY 113 N -0.67 1.78 0.00 1.37 0.00 -0.23 -5.03 107.32 104.55 3fkb s GLY 113 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3fkb s GLY 113 CO 0.00 -1.81 0.00 3.33 0.00 0.00 0.00 173.10 174.63 3fkb n VAL 114 N -0.55 0.00 -4.22 1.40 0.24 -1.26 -4.23 118.33 109.70 3fkb n VAL 114 Ca -0.07 -0.13 -0.17 0.00 -2.04 0.00 0.00 64.34 61.93 3fkb n VAL 114 Cb 0.59 1.03 -0.15 0.00 -1.47 0.00 0.00 33.84 33.84 3fkb n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fkb s ASP 115 N -0.26 0.76 0.28 -1.34 2.15 -1.26 -4.55 116.67 112.45 3fkb s ASP 115 Ca 0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 3fkb s ASP 115 Cb 0.00 -0.11 0.45 0.00 -0.30 0.00 0.00 42.92 42.96 3fkb s ASP 115 CO 0.00 0.07 1.88 0.58 -0.17 0.00 0.00 175.17 177.53 3fkb h VAL 116 N 5.07 1.06 0.00 1.11 2.07 -1.96 -1.59 116.25 122.01 3fkb h VAL 116 Ca -0.29 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3fkb h VAL 116 Cb 1.19 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3fkb h VAL 116 CO 0.50 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.91 3fkb n GLY 117 N -1.37 -1.38 2.49 2.17 0.00 -1.26 -3.62 105.19 102.23 3fkb n GLY 117 Ca 0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3fkb n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fkb n ARG 118 N -1.42 1.92 -1.01 1.61 5.12 -0.62 -4.92 116.66 117.34 3fkb n ARG 118 Ca 0.09 -4.01 -0.15 0.00 -1.93 0.00 0.00 57.85 51.85 3fkb n ARG 118 Cb 0.29 -1.91 0.20 0.00 -1.16 0.00 0.00 32.46 29.88 3fkb n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3fkb n ASN 119 N 0.15 3.98 0.00 0.55 0.23 -1.09 -4.30 115.26 114.78 3fkb n ASN 119 Ca 0.27 -3.28 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 3fkb n ASN 119 Cb 0.54 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 3fkb n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3fkb n ILE 120 N -0.62 0.00 -3.76 1.53 5.41 -1.26 -4.74 119.36 115.91 3fkb n ILE 120 Ca 0.46 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.09 3fkb n ILE 120 Cb 1.43 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 40.28 3fkb n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3fkb s ILE 121 N 0.00 0.08 -0.01 1.39 2.07 -1.26 -1.21 121.20 122.26 3fkb s ILE 121 Ca 0.00 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 3fkb s ILE 121 Cb 0.00 -0.82 0.01 0.00 0.13 0.00 0.00 42.46 41.78 3fkb s ILE 121 CO 0.00 -0.34 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.83 3fkb s GLY 122 N -1.80 0.20 0.30 1.50 0.00 -0.70 -4.96 107.32 101.86 3fkb s GLY 122 Ca -0.08 -0.04 0.11 0.00 0.00 0.00 0.00 44.72 44.71 3fkb s GLY 122 CO -0.01 0.14 -0.13 -0.32 0.00 0.00 0.00 173.10 172.79 3fkb s GLY 123 N 0.33 1.93 0.39 0.20 0.00 -1.26 -1.36 107.32 107.55 3fkb s GLY 123 Ca -0.03 -1.90 -0.28 0.00 0.00 0.00 0.00 44.72 42.51 3fkb s GLY 123 CO -0.01 -1.94 1.49 1.44 0.00 0.00 0.00 173.10 174.09 3fkb n SER 124 N -0.73 3.79 -0.11 1.64 7.64 -0.82 -4.92 113.62 120.11 3fkb n SER 124 Ca -0.05 1.22 0.13 0.00 1.01 0.00 0.00 58.87 61.18 3fkb n SER 124 Cb 0.61 -1.62 0.43 0.00 -1.01 0.00 0.00 64.21 62.61 3fkb n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fkb n ASP 125 N 0.38 0.60 -3.68 6.43 5.75 -1.26 -4.82 116.55 119.95 3fkb n ASP 125 Ca 0.01 -0.46 -0.07 0.00 -0.01 0.00 0.00 54.79 54.26 3fkb n ASP 125 Cb 0.39 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 3fkb n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fkb s SER 126 N -2.70 -0.32 0.25 -1.12 1.04 -1.26 -4.95 113.70 104.64 3fkb s SER 126 Ca 0.20 -0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3fkb s SER 126 Cb 0.19 0.59 0.28 0.00 0.10 0.00 0.00 66.02 67.18 3fkb s SER 126 CO 0.56 -1.04 1.82 0.58 0.98 0.00 0.00 173.24 176.14 3fkb h VAL 127 N 2.00 1.24 -0.10 5.02 2.07 -1.92 0.16 116.25 124.72 3fkb h VAL 127 Ca -0.24 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3fkb h VAL 127 Cb 1.26 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3fkb h VAL 127 CO 0.28 0.31 0.06 -0.08 0.02 0.00 0.00 177.57 178.16 3fkb h GLU 128 N 1.04 0.14 -0.38 1.57 4.81 -1.97 -1.14 114.58 118.66 3fkb h GLU 128 Ca 0.24 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3fkb h GLU 128 Cb 0.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3fkb h GLU 128 CO -0.02 0.15 -0.08 0.77 -0.73 0.00 0.00 179.01 179.10 3fkb h SER 129 N 0.09 0.62 -0.16 1.04 0.02 -1.87 -2.08 113.55 111.22 3fkb h SER 129 Ca 0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3fkb h SER 129 Cb 0.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3fkb h SER 129 CO -0.01 0.74 0.08 0.00 -1.14 0.00 0.00 176.83 176.51 3fkb h ALA 130 N 1.32 0.20 -0.74 3.77 0.00 -0.33 0.25 119.26 123.73 3fkb h ALA 130 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fkb h ALA 130 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3fkb h ALA 130 CO 0.03 -0.26 0.35 -0.91 0.00 0.00 0.00 179.25 178.46 3fkb h ASN 131 N 0.14 0.96 -0.19 0.00 2.35 -1.05 0.10 115.58 117.90 3fkb h ASN 131 Ca 0.05 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3fkb h ASN 131 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3fkb h ASN 131 CO -0.01 0.81 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.47 3fkb h ARG 132 N 1.05 0.35 -0.52 0.81 2.43 -1.01 -2.64 114.38 114.85 3fkb h ARG 132 Ca 0.26 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 3fkb h ARG 132 Cb 0.11 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3fkb h ARG 132 CO -0.03 0.59 -0.15 0.93 -1.51 0.00 0.00 179.97 179.80 3fkb h GLU 133 N 0.08 1.01 -0.90 0.20 5.08 -0.23 -2.30 114.58 117.52 3fkb h GLU 133 Ca 0.05 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3fkb h GLU 133 Cb 0.45 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3fkb h GLU 133 CO 0.01 1.08 0.59 0.82 -1.00 0.00 0.00 179.01 180.51 3fkb h ILE 134 N 0.88 1.24 -0.36 3.13 2.04 -0.81 -1.11 117.51 122.51 3fkb h ILE 134 Ca 0.13 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3fkb h ILE 134 Cb 0.72 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3fkb h ILE 134 CO 0.06 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.37 3fkb h ALA 135 N 1.32 1.23 -0.16 1.87 0.00 -1.31 -0.56 119.26 121.66 3fkb h ALA 135 Ca 0.33 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3fkb h ALA 135 Cb -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.52 3fkb h ALA 135 CO -0.07 0.51 -0.77 -0.07 0.00 0.00 0.00 179.25 178.84 3fkb h LEU 136 N 0.55 0.94 0.00 0.00 3.38 -0.80 -3.37 115.31 116.01 3fkb h LEU 136 Ca 0.11 -0.61 -0.25 0.00 0.09 0.00 0.00 57.88 57.21 3fkb h LEU 136 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3fkb h LEU 136 CO 0.02 1.42 -1.64 0.79 0.09 0.00 0.00 178.44 179.12 3fkb n TRP 137 N -3.93 0.96 -4.81 1.13 7.02 -0.49 -4.96 117.44 112.36 3fkb n TRP 137 Ca -0.07 0.34 -0.27 0.00 -1.02 0.00 0.00 57.50 56.47 3fkb n TRP 137 Cb 0.74 -1.15 -0.15 0.00 -2.42 0.00 0.00 31.31 28.34 3fkb n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3fkb s PHE 138 N -2.70 1.99 0.36 -5.99 0.08 -0.22 -5.10 117.98 106.38 3fkb s PHE 138 Ca -0.04 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.49 3fkb s PHE 138 Cb 0.08 -1.20 -0.08 0.00 -0.57 0.00 0.00 43.02 41.25 3fkb s PHE 138 CO 0.82 0.08 0.75 0.15 -0.10 0.00 0.00 175.22 176.92 3fkb s LYS 139 N -1.06 3.93 0.36 0.44 1.02 -1.26 -4.57 119.74 118.60 3fkb s LYS 139 Ca 0.09 0.62 0.10 0.00 0.02 0.00 0.00 55.97 56.79 3fkb s LYS 139 Cb -0.09 -2.41 0.85 0.00 -0.52 0.00 0.00 37.83 35.67 3fkb s LYS 139 CO 0.01 0.08 1.86 -1.35 -0.92 0.00 0.00 175.35 175.03 3fkb h PRO 140 N 1.89 0.63 0.00 -1.68 0.11 -1.95 -0.74 132.00 130.26 3fkb h PRO 140 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fkb h PRO 140 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fkb h PRO 140 CO 0.65 0.42 0.00 1.05 -0.21 0.00 0.00 178.00 179.91 3fkb h GLU 141 N 0.65 0.00 -0.23 1.05 4.11 -2.01 -2.08 114.58 116.06 3fkb h GLU 141 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 3fkb h GLU 141 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3fkb h GLU 141 CO -0.22 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.25 3fkb n GLU 142 N -2.60 1.96 -4.93 1.06 1.02 -0.28 -4.86 120.64 112.00 3fkb n GLU 142 Ca 0.00 -1.45 -0.33 0.00 -0.02 0.00 0.00 57.16 55.36 3fkb n GLU 142 Cb 0.18 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 3fkb n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fkb s LEU 143 N -1.53 2.59 0.56 -4.62 1.43 -0.78 -4.49 118.68 111.85 3fkb s LEU 143 Ca 0.34 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 3fkb s LEU 143 Cb 0.19 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3fkb s LEU 143 CO 0.27 0.27 1.24 -0.76 0.23 0.00 0.00 176.35 177.60 3fkb s LEU 144 N -0.27 3.76 -0.05 1.79 1.43 -0.41 -4.93 118.68 120.00 3fkb s LEU 144 Ca 0.01 2.47 0.05 0.00 -1.03 0.00 0.00 54.13 55.63 3fkb s LEU 144 Cb -0.13 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 3fkb s LEU 144 CO 0.03 -1.50 0.02 0.35 0.23 0.00 0.00 176.35 175.47 3fkb n THR 145 N -1.30 0.37 -3.59 5.49 -2.24 -1.26 -4.95 114.28 106.80 3fkb n THR 145 Ca 0.12 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3fkb n THR 145 Cb 0.48 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 3fkb n THR 145 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3fkb s GLU 146 N -2.13 3.84 0.07 -0.78 2.12 -1.26 -4.93 118.70 115.64 3fkb s GLU 146 Ca -0.03 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3fkb s GLU 146 Cb 0.02 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3fkb s GLU 146 CO 0.22 -0.23 0.00 0.28 -0.54 0.00 0.00 175.26 174.98 3fkb n VAL 147 N 5.06 0.40 -1.17 3.70 0.31 -1.26 -5.15 118.33 120.21 3fkb n VAL 147 Ca -0.14 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3fkb n VAL 147 Cb 0.51 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3fkb n VAL 147 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3fkb n LYS 148 N -2.95 -1.08 -1.73 5.55 3.00 -1.26 -4.95 118.16 114.74 3fkb n LYS 148 Ca 0.00 1.17 -0.42 0.00 -0.00 0.00 0.00 58.31 59.06 3fkb n LYS 148 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 35.03 33.77 3fkb n LYS 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3fkb n PRO 149 N 0.38 2.51 -2.71 1.64 -0.04 -1.26 -4.95 135.00 130.57 3fkb n PRO 149 Ca 0.00 0.89 -0.43 0.00 -0.04 0.00 0.00 63.50 63.92 3fkb n PRO 149 Cb 0.00 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 3fkb n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3fkb s ASN 150 N 0.24 6.97 0.57 3.54 3.04 -1.26 -4.92 114.94 123.12 3fkb s ASN 150 Ca 0.61 1.17 0.39 0.00 0.04 0.00 0.00 52.86 55.07 3fkb s ASN 150 Cb -0.53 -2.52 2.10 0.00 -1.54 0.00 0.00 41.25 38.76 3fkb s ASN 150 CO 0.53 -0.71 2.18 1.55 -3.04 0.00 0.00 177.10 177.62 3fkb h PRO 151 N 7.73 0.00 0.00 0.43 0.13 -1.93 -0.23 132.00 138.14 3fkb h PRO 151 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3fkb h PRO 151 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3fkb h PRO 151 CO 0.97 0.00 -0.27 0.09 -0.23 0.00 0.00 178.00 178.57 3fkb n ASN 152 N -2.86 0.69 -0.04 1.44 3.02 -1.26 -4.01 115.26 112.24 3fkb n ASN 152 Ca -0.03 0.35 -0.02 0.00 -0.03 0.00 0.00 54.58 54.86 3fkb n ASN 152 Cb 0.06 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.80 3fkb n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fkb n LEU 153 N -2.10 0.00 -4.20 3.41 4.77 -0.21 -5.01 117.00 113.66 3fkb n LEU 153 Ca 0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 3fkb n LEU 153 Cb 0.42 0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 3fkb n LEU 153 CO 0.33 0.18 -0.52 -0.31 -1.33 0.00 0.00 177.39 175.74 3fkb s TYR 154 N -2.46 1.83 -2.18 -1.77 2.02 -0.53 -5.05 117.35 109.21 3fkb s TYR 154 Ca -0.05 -0.40 0.31 0.00 -0.37 0.00 0.00 57.07 56.55 3fkb s TYR 154 Cb 0.05 -1.19 1.60 0.00 -0.40 0.00 0.00 41.96 42.02 3fkb s TYR 154 CO 0.47 -0.08 2.06 -1.91 -1.57 0.00 0.00 175.55 174.52