#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 2.48 -1.77 3.52 4.76 -1.26 -3.72 118.16 122.17 3fkb n LYS 8 Ca 0.00 -2.28 -0.38 0.00 -2.87 0.00 0.00 58.31 52.78 3fkb n LYS 8 Cb 0.00 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.76 3fkb n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3fkb s GLU 9 N -1.28 2.99 0.06 1.97 2.12 -1.25 -4.71 118.70 118.60 3fkb s GLU 9 Ca 0.38 2.20 0.03 0.00 0.36 0.00 0.00 54.97 57.94 3fkb s GLU 9 Cb 0.21 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 3fkb s GLU 9 CO 0.29 -1.30 -0.09 1.03 -0.54 0.00 0.00 175.26 174.66 3fkb s ARG 10 N -3.02 0.64 0.06 4.30 0.52 -1.26 -1.03 118.95 119.16 3fkb s ARG 10 Ca 0.74 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3fkb s ARG 10 Cb -0.40 -0.37 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 3fkb s ARG 10 CO 0.46 0.06 -0.06 -0.08 0.02 0.00 0.00 175.30 175.70 3fkb s THR 11 N -1.79 0.49 -0.19 0.02 -1.32 -0.69 -4.73 115.64 107.42 3fkb s THR 11 Ca -0.04 -1.54 -0.08 0.00 -1.21 0.00 0.00 61.69 58.82 3fkb s THR 11 Cb -0.07 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 3fkb s THR 11 CO -0.00 -0.71 0.07 0.12 -2.21 0.00 0.00 174.62 171.89 3fkb s PHE 12 N -2.75 3.24 -0.05 9.09 5.36 -1.26 -2.19 117.98 129.42 3fkb s PHE 12 Ca 0.01 0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.06 3fkb s PHE 12 Cb -0.01 -2.11 -0.00 0.00 -0.34 0.00 0.00 43.02 40.56 3fkb s PHE 12 CO -0.04 0.10 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.12 3fkb s LEU 13 N 0.54 1.94 -0.16 6.12 1.43 -0.02 -1.65 118.68 126.89 3fkb s LEU 13 Ca 0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3fkb s LEU 13 Cb -0.13 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.06 3fkb s LEU 13 CO 0.01 0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.62 3fkb s ALA 14 N 0.02 1.89 -0.42 4.21 0.00 -0.43 -0.34 121.76 126.70 3fkb s ALA 14 Ca -0.04 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 3fkb s ALA 14 Cb -0.12 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.93 3fkb s ALA 14 CO 0.03 -0.45 0.92 0.08 0.00 0.00 0.00 175.76 176.34 3fkb s VAL 15 N 1.47 4.52 0.95 0.00 1.01 -0.11 -1.90 120.40 126.34 3fkb s VAL 15 Ca 0.04 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.84 3fkb s VAL 15 Cb -0.13 -4.39 0.16 0.00 0.00 0.00 0.00 36.38 32.02 3fkb s VAL 15 CO -0.10 -0.71 1.09 -0.54 0.00 0.00 0.00 175.10 174.84 3fkb s LYS 16 N 3.63 0.79 0.40 2.72 1.02 -0.22 -1.83 119.74 126.26 3fkb s LYS 16 Ca 0.37 0.85 0.19 0.00 0.02 0.00 0.00 55.97 57.40 3fkb s LYS 16 Cb -0.11 -1.75 1.12 0.00 -0.52 0.00 0.00 37.83 36.57 3fkb s LYS 16 CO 0.23 -2.57 1.75 -1.35 -0.92 0.00 0.00 175.35 172.50 3fkb h PRO 17 N -1.79 0.36 -0.30 -1.68 0.11 -1.86 0.11 132.00 126.96 3fkb h PRO 17 Ca -0.51 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 3fkb h PRO 17 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3fkb h PRO 17 CO 0.53 0.24 -0.41 0.38 -0.21 0.00 0.00 178.00 178.53 3fkb h ASP 18 N 0.37 0.80 -0.50 -2.05 2.03 -1.88 -0.49 116.42 114.70 3fkb h ASP 18 Ca 0.62 -0.37 -0.07 0.00 -0.73 0.00 0.00 57.03 56.48 3fkb h ASP 18 Cb 1.60 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 39.85 3fkb h ASP 18 CO -0.33 1.11 0.03 1.23 -1.03 0.00 0.00 179.24 180.26 3fkb h GLY 19 N 0.92 0.94 0.84 7.15 0.00 -0.96 -1.66 103.07 110.29 3fkb h GLY 19 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3fkb h GLY 19 CO 0.09 0.62 -0.01 -2.08 0.00 0.00 0.00 176.54 175.15 3fkb h VAL 20 N 0.74 1.26 0.00 4.60 2.07 -1.17 -2.02 116.25 121.73 3fkb h VAL 20 Ca 0.15 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3fkb h VAL 20 Cb 0.48 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3fkb h VAL 20 CO 0.02 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.79 3fkb h ALA 21 N 0.79 1.68 -0.29 1.67 0.00 -0.99 -1.83 119.26 120.28 3fkb h ALA 21 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fkb h ALA 21 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fkb h ALA 21 CO 0.01 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3fkb n ARG 22 N -4.20 1.84 -3.27 0.00 1.74 -0.63 -4.94 116.66 107.19 3fkb n ARG 22 Ca -0.03 -1.30 -0.17 0.00 -0.77 0.00 0.00 57.85 55.59 3fkb n ARG 22 Cb 0.19 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.13 -0.24 0.64 -0.13 0.00 -0.69 -4.94 105.19 100.97 3fkb n GLY 23 Ca 0.15 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.85 2.72 0.14 0.99 4.77 -0.77 -4.67 117.00 116.33 3fkb n LEU 24 Ca -0.12 -1.69 -0.14 0.00 -0.03 0.00 0.00 56.01 54.04 3fkb n LEU 24 Cb 0.59 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3fkb n LEU 24 CO 0.51 0.64 0.80 0.58 -1.33 0.00 0.00 177.39 178.59 3fkb h VAL 25 N 2.31 0.80 -0.52 4.08 2.07 -1.88 -1.52 116.25 121.60 3fkb h VAL 25 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3fkb h VAL 25 Cb 0.68 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3fkb h VAL 25 CO 0.00 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.08 3fkb h GLY 26 N -0.28 0.79 0.55 2.17 0.00 -1.97 -1.19 103.07 103.13 3fkb h GLY 26 Ca -0.03 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 46.99 3fkb h GLY 26 CO 0.05 0.36 0.17 -2.09 0.00 0.00 0.00 176.54 175.02 3fkb h GLU 27 N 0.69 0.33 -0.08 4.80 4.57 -1.83 -0.32 114.58 122.73 3fkb h GLU 27 Ca 0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3fkb h GLU 27 Cb 0.09 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3fkb h GLU 27 CO -0.02 0.22 0.00 0.82 -1.18 0.00 0.00 179.01 178.85 3fkb h ILE 28 N 0.34 1.24 -1.00 2.32 2.04 -1.02 -2.35 117.51 119.09 3fkb h ILE 28 Ca 0.23 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3fkb h ILE 28 Cb 0.24 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3fkb h ILE 28 CO -0.23 0.21 0.66 0.40 0.00 0.00 0.00 178.15 179.19 3fkb h ILE 29 N -0.14 1.26 -0.83 -0.67 2.04 -1.03 -2.28 117.51 115.86 3fkb h ILE 29 Ca 0.02 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3fkb h ILE 29 Cb 0.33 -0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 3fkb h ILE 29 CO 0.00 0.25 0.41 0.00 0.00 0.00 0.00 178.15 178.81 3fkb h ALA 30 N 1.38 1.16 -0.78 1.87 0.00 -0.97 -0.53 119.26 121.39 3fkb h ALA 30 Ca 0.37 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fkb h ALA 30 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.26 3fkb h ALA 30 CO -0.08 0.65 0.51 0.00 0.00 0.00 0.00 179.25 180.33 3fkb h ARG 31 N 1.18 1.01 -0.02 0.00 3.08 -0.86 0.77 114.38 119.55 3fkb h ARG 31 Ca 0.29 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.11 3fkb h ARG 31 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3fkb h ARG 31 CO -0.04 0.67 -0.74 1.88 -1.07 0.00 0.00 179.97 180.68 3fkb h TYR 32 N 1.04 0.19 -0.19 3.04 0.05 -1.18 -2.35 116.97 117.56 3fkb h TYR 32 Ca 0.29 -0.09 -0.06 0.00 0.05 0.00 0.00 58.73 58.92 3fkb h TYR 32 Cb -0.10 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 3fkb h TYR 32 CO -0.02 0.82 -0.12 0.93 -1.05 0.00 0.00 178.16 178.72 3fkb h GLU 33 N 0.09 0.42 -0.18 4.88 5.08 -0.70 -2.61 114.58 121.56 3fkb h GLU 33 Ca -0.02 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3fkb h GLU 33 Cb 1.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3fkb h GLU 33 CO 0.11 0.74 0.00 0.87 -1.00 0.00 0.00 179.01 179.73 3fkb h LYS 34 N 0.10 0.25 0.00 2.33 1.57 -0.86 -2.00 116.57 117.96 3fkb h LYS 34 Ca 0.04 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3fkb h LYS 34 Cb 0.63 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3fkb h LYS 34 CO 0.03 0.28 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.66 3fkb h LYS 35 N 0.25 0.00 0.00 3.15 1.63 -1.33 -3.47 116.57 116.81 3fkb h LYS 35 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3fkb h LYS 35 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3fkb h LYS 35 CO 0.00 0.31 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 3fkb n GLY 36 N -0.53 0.87 3.79 5.01 0.00 -0.75 -5.11 105.19 108.47 3fkb n GLY 36 Ca -0.02 0.00 -0.37 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 3.67 -0.15 1.61 0.08 -1.00 -4.95 117.98 115.25 3fkb s PHE 37 Ca 0.00 1.64 -0.11 0.00 0.12 0.00 0.00 56.93 58.58 3fkb s PHE 37 Cb 0.00 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 3fkb s PHE 37 CO 0.00 0.25 0.22 0.08 -0.10 0.00 0.00 175.22 175.67 3fkb s VAL 38 N -1.59 5.36 -0.29 -0.44 1.01 -0.28 -4.37 120.40 119.79 3fkb s VAL 38 Ca 0.48 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 3fkb s VAL 38 Cb -0.18 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3fkb s VAL 38 CO 0.23 0.46 1.24 -0.22 0.00 0.00 0.00 175.10 176.81 3fkb s LEU 39 N 0.05 3.92 0.00 3.92 2.96 -1.26 -0.16 118.68 128.11 3fkb s LEU 39 Ca 0.14 1.22 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 3fkb s LEU 39 Cb -0.12 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3fkb s LEU 39 CO 0.03 -1.00 0.60 1.33 -1.32 0.00 0.00 176.35 175.99 3fkb n VAL 40 N 6.04 0.00 -3.65 1.68 0.24 0.24 -4.94 118.33 117.94 3fkb n VAL 40 Ca 0.14 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 3fkb n VAL 40 Cb 0.47 1.11 -0.08 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 -0.89 -0.54 -0.25 7.63 0.00 -1.14 -1.20 107.32 110.93 3fkb s GLY 41 Ca 0.07 2.04 -0.16 0.00 0.00 0.00 0.00 44.72 46.67 3fkb s GLY 41 CO 0.14 1.88 0.63 -2.27 0.00 0.00 0.00 173.10 173.48 3fkb s LEU 42 N 0.84 -0.68 -0.13 0.66 2.96 -1.26 -1.36 118.68 119.70 3fkb s LEU 42 Ca -0.04 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 3fkb s LEU 42 Cb -0.05 2.15 0.11 0.00 0.50 0.00 0.00 46.19 48.90 3fkb s LEU 42 CO -0.07 -0.23 0.91 -1.59 -1.32 0.00 0.00 176.35 174.05 3fkb s LYS 43 N 1.32 0.72 -0.04 1.98 -2.85 -0.74 -5.02 119.74 115.12 3fkb s LYS 43 Ca -0.08 0.20 0.01 0.00 -1.00 0.00 0.00 55.97 55.10 3fkb s LYS 43 Cb -0.06 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 3fkb s LYS 43 CO -0.14 -0.22 -0.04 -1.14 0.10 0.00 0.00 175.35 173.90 3fkb s GLN 44 N -1.08 2.74 0.13 1.78 0.74 -1.26 -0.47 119.66 122.23 3fkb s GLN 44 Ca -0.04 -0.58 -0.25 0.00 0.05 0.00 0.00 55.36 54.54 3fkb s GLN 44 Cb -0.00 -2.62 0.07 0.00 1.10 0.00 0.00 33.01 31.56 3fkb s GLN 44 CO 0.04 0.65 0.78 -0.48 -0.55 0.00 0.00 175.29 175.73 3fkb s LEU 45 N -1.10 -0.38 -0.39 3.68 2.34 -0.55 -4.97 118.68 117.31 3fkb s LEU 45 Ca 0.15 -0.18 -0.12 0.00 0.06 0.00 0.00 54.13 54.04 3fkb s LEU 45 Cb -0.11 2.35 0.04 0.00 -0.56 0.00 0.00 46.19 47.91 3fkb s LEU 45 CO 0.05 -0.91 0.24 -0.69 -1.06 0.00 0.00 176.35 173.98 3fkb s VAL 46 N -3.49 4.67 0.52 1.48 1.01 -1.26 -0.30 120.40 123.03 3fkb s VAL 46 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3fkb s VAL 46 Cb -0.02 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3fkb s VAL 46 CO -0.05 -0.32 1.27 -2.65 0.00 0.00 0.00 175.10 173.35 3fkb n PRO 47 N 5.03 1.64 -2.76 2.72 -0.02 -1.26 -5.02 135.00 135.33 3fkb n PRO 47 Ca -0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.72 3fkb n PRO 47 Cb 0.45 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.30 3.91 0.19 3.45 -4.23 -1.26 -4.54 115.64 111.87 3fkb s THR 48 Ca 0.69 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 3fkb s THR 48 Cb -0.45 -3.48 0.10 0.00 1.34 0.00 0.00 72.50 70.01 3fkb s THR 48 CO 0.52 -0.40 1.78 0.50 -0.54 0.00 0.00 174.62 176.48 3fkb h LYS 49 N 0.18 0.51 -0.53 3.99 3.64 -1.95 -1.40 116.57 121.02 3fkb h LYS 49 Ca -0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3fkb h LYS 49 Cb 1.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3fkb h LYS 49 CO 0.59 0.34 0.29 0.38 -2.27 0.00 0.00 179.45 178.77 3fkb h ASP 50 N 0.53 0.66 -0.60 4.20 2.03 -1.99 -0.66 116.42 120.60 3fkb h ASP 50 Ca 0.25 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 3fkb h ASP 50 Cb 0.18 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 3fkb h ASP 50 CO -0.18 0.57 0.34 0.25 -1.03 0.00 0.00 179.24 179.19 3fkb h LEU 51 N 0.70 0.73 -0.27 0.15 5.85 -1.84 -1.13 115.31 119.50 3fkb h LEU 51 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3fkb h LEU 51 Cb 0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3fkb h LEU 51 CO -0.03 0.59 0.10 0.00 -0.34 0.00 0.00 178.44 178.77 3fkb h ALA 52 N 1.17 0.35 -0.31 1.25 0.00 -0.97 -0.70 119.26 120.05 3fkb h ALA 52 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3fkb h ALA 52 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fkb h ALA 52 CO -0.04 -0.04 -0.11 0.93 0.00 0.00 0.00 179.25 179.98 3fkb h GLU 53 N 0.29 0.53 -0.18 0.00 5.08 -0.96 -1.23 114.58 118.11 3fkb h GLU 53 Ca 0.09 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3fkb h GLU 53 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fkb h GLU 53 CO -0.01 0.64 -0.37 1.03 -1.00 0.00 0.00 179.01 179.30 3fkb h SER 54 N 0.49 0.65 -0.29 1.42 0.87 -1.06 -1.68 113.55 113.94 3fkb h SER 54 Ca 0.09 -0.55 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 3fkb h SER 54 Cb 0.49 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3fkb h SER 54 CO 0.03 1.08 0.15 -0.74 -0.53 0.00 0.00 176.83 176.82 3fkb h HIS 55 N 0.24 0.28 -0.92 2.24 -0.00 -0.90 -2.81 115.15 113.28 3fkb h HIS 55 Ca 0.01 0.01 -0.48 0.00 -0.00 0.00 0.00 60.37 59.90 3fkb h HIS 55 Cb 0.97 -0.09 -0.28 0.00 -0.00 0.00 0.00 27.41 28.02 3fkb h HIS 55 CO 0.09 0.16 0.61 0.66 -0.00 0.00 0.00 177.93 179.46 3fkb n TYR 56 N -4.95 2.83 -0.19 5.26 4.01 -0.48 -4.66 117.16 118.97 3fkb n TYR 56 Ca -0.01 -1.79 0.20 0.00 -0.16 0.00 0.00 57.90 56.14 3fkb n TYR 56 Cb 0.06 -0.91 0.56 0.00 -0.31 0.00 0.00 39.34 38.74 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 1.12 2.32 0.00 -0.72 0.00 -1.03 -0.81 119.26 120.14 3fkb h ALA 57 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3fkb h ALA 57 Cb 2.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3fkb h ALA 57 CO 1.04 -0.57 0.00 1.05 0.00 0.00 0.00 179.25 180.76 3fkb h GLU 58 N 0.30 0.00 -0.23 0.00 4.11 -1.87 -2.18 114.58 114.71 3fkb h GLU 58 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3fkb h GLU 58 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3fkb h GLU 58 CO -0.12 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.68 3fkb n HIS 59 N -2.87 0.30 0.15 2.06 8.25 -0.31 -4.68 115.22 118.10 3fkb n HIS 59 Ca -0.01 -0.22 0.19 0.00 -0.26 0.00 0.00 57.72 57.42 3fkb n HIS 59 Cb 0.14 -0.01 0.78 0.00 1.12 0.00 0.00 29.99 32.02 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 3.08 0.00 0.00 -0.41 2.10 -1.38 -1.03 116.57 118.93 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 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3fkb h LYS 60 CO 0.00 0.00 -0.52 0.39 -2.00 0.00 0.00 179.45 177.32 3fkb n GLU 61 N -3.65 0.05 -2.79 0.07 -0.58 -1.26 -4.88 120.64 107.60 3fkb n GLU 61 Ca 0.05 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.45 3fkb n GLU 61 Cb 0.51 -1.53 -0.07 0.00 -0.57 0.00 0.00 31.44 29.79 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 -3.03 4.37 0.42 3.49 0.52 -0.39 -4.97 118.95 119.36 3fkb s ARG 62 Ca 0.10 1.23 0.17 0.00 -0.52 0.00 0.00 55.73 56.71 3fkb s ARG 62 Cb 0.17 -2.45 1.07 0.00 0.52 0.00 0.00 34.95 34.25 3fkb s ARG 62 CO 0.70 0.09 1.86 -1.35 0.02 0.00 0.00 175.30 176.62 3fkb h PRO 63 N 2.46 0.41 -0.03 3.54 0.11 -1.92 -1.55 132.00 135.02 3fkb h PRO 63 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fkb h PRO 63 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fkb h PRO 63 CO 0.63 0.27 0.00 1.97 -0.21 0.00 0.00 178.00 180.66 3fkb n PHE 64 N -4.51 0.03 -0.23 0.65 -1.74 -1.26 -4.29 117.46 106.10 3fkb n PHE 64 Ca 0.19 -0.01 0.02 0.00 -0.56 0.00 0.00 57.45 57.08 3fkb n PHE 64 Cb 0.68 0.00 0.14 0.00 1.52 0.00 0.00 39.48 41.82 3fkb n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 3fkb h PHE 65 N 1.27 0.50 -0.33 2.97 3.57 -1.51 -0.27 116.94 123.14 3fkb h PHE 65 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3fkb h PHE 65 Cb 0.27 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3fkb h PHE 65 CO 0.01 0.13 0.12 0.78 -2.23 0.00 0.00 178.31 177.13 3fkb h GLY 66 N 0.48 0.41 1.71 2.40 0.00 -1.81 -0.87 103.07 105.39 3fkb h GLY 66 Ca 0.35 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 3fkb h GLY 66 CO -0.32 0.04 -0.39 -1.33 0.00 0.00 0.00 176.54 174.54 3fkb h GLY 67 N 0.27 0.35 0.91 4.60 0.00 -1.73 -1.21 103.07 106.27 3fkb h GLY 67 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3fkb h GLY 67 CO -0.14 0.30 0.10 -2.00 0.00 0.00 0.00 176.54 174.80 3fkb h LEU 68 N 0.27 0.31 -0.27 3.11 6.46 -0.54 -0.82 115.31 123.83 3fkb h LEU 68 Ca 0.03 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 3fkb h LEU 68 Cb 0.82 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3fkb h LEU 68 CO 0.06 0.37 0.03 0.58 -0.62 0.00 0.00 178.44 178.86 3fkb h VAL 69 N 0.24 1.24 -0.95 1.05 2.07 -1.05 -2.43 116.25 116.41 3fkb h VAL 69 Ca 0.08 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3fkb h VAL 69 Cb 0.14 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3fkb h VAL 69 CO -0.01 0.26 0.62 0.28 0.02 0.00 0.00 177.57 178.74 3fkb h SER 70 N 0.26 1.03 -0.17 0.57 0.02 -1.11 -2.63 113.55 111.52 3fkb h SER 70 Ca 0.08 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3fkb h SER 70 Cb 0.36 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3fkb h SER 70 CO 0.01 0.71 -0.15 0.15 -1.14 0.00 0.00 176.83 176.41 3fkb h PHE 71 N 1.20 0.47 0.00 3.45 3.57 -1.02 -2.29 116.94 122.32 3fkb h PHE 71 Ca 0.37 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3fkb h PHE 71 Cb -0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3fkb h PHE 71 CO -0.01 0.76 0.00 0.97 -2.23 0.00 0.00 178.31 177.80 3fkb h ILE 72 N 0.04 0.00 -0.26 1.41 2.10 -1.32 -1.25 117.51 118.24 3fkb h ILE 72 Ca 0.03 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.72 3fkb h ILE 72 Cb 0.67 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3fkb h ILE 72 CO 0.04 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.46 3fkb n THR 73 N -2.69 0.34 0.82 2.19 -2.24 -1.00 -4.34 114.28 107.36 3fkb n THR 73 Ca 0.00 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3fkb n THR 73 Cb 0.20 1.14 0.52 0.00 -2.10 0.00 0.00 70.33 70.08 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 1.35 0.35 -2.43 3.42 3.41 -0.47 -4.78 113.62 114.47 3fkb n SER 74 Ca 0.17 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3fkb n SER 74 Cb 0.57 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.35 0.82 3.76 5.00 0.00 -1.26 -5.11 105.19 109.76 3fkb n GLY 75 Ca 0.06 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3fkb n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fkb s PRO 76 N -2.03 3.58 0.04 1.61 0.04 -1.26 -4.42 135.00 132.55 3fkb s PRO 76 Ca 0.14 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.32 3fkb s PRO 76 Cb -0.02 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 3fkb s PRO 76 CO 0.03 -0.79 -0.18 0.08 0.04 0.00 0.00 177.00 176.18 3fkb s VAL 77 N -1.36 1.41 -0.35 -0.36 1.01 0.59 -3.71 120.40 117.63 3fkb s VAL 77 Ca 0.65 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3fkb s VAL 77 Cb -0.36 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3fkb s VAL 77 CO 0.44 0.13 0.14 -0.69 0.00 0.00 0.00 175.10 175.13 3fkb s VAL 78 N -0.79 4.13 -0.03 2.92 1.01 -0.76 -1.48 120.40 125.40 3fkb s VAL 78 Ca 0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3fkb s VAL 78 Cb -0.08 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3fkb s VAL 78 CO 0.01 -0.16 0.52 0.00 0.00 0.00 0.00 175.10 175.47 3fkb s ALA 79 N 1.48 3.54 0.03 5.51 0.00 0.37 -0.93 121.76 131.76 3fkb s ALA 79 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3fkb s ALA 79 Cb -0.19 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3fkb s ALA 79 CO 0.04 0.22 -0.01 -1.64 0.00 0.00 0.00 175.76 174.37 3fkb s MET 80 N -0.28 0.44 -0.09 0.00 -1.94 0.54 -1.79 119.30 116.20 3fkb s MET 80 Ca 0.28 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 3fkb s MET 80 Cb -0.17 0.16 0.02 0.00 2.01 0.00 0.00 34.83 36.85 3fkb s MET 80 CO 0.15 -0.08 -0.07 0.08 -0.01 0.00 0.00 175.02 175.08 3fkb s VAL 81 N -2.41 0.89 0.06 -6.03 1.01 -0.46 -0.84 120.40 112.63 3fkb s VAL 81 Ca -0.07 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.73 3fkb s VAL 81 Cb -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3fkb s VAL 81 CO -0.04 0.33 -0.17 -0.36 0.00 0.00 0.00 175.10 174.86 3fkb s PHE 82 N 1.41 2.57 -0.01 5.22 0.08 -0.93 -0.60 117.98 125.73 3fkb s PHE 82 Ca -0.01 -0.24 0.07 0.00 0.12 0.00 0.00 56.93 56.86 3fkb s PHE 82 Cb -0.13 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3fkb s PHE 82 CO -0.04 0.30 -0.23 -2.00 -0.10 0.00 0.00 175.22 173.15 3fkb s GLU 83 N -1.64 1.81 0.00 0.44 2.12 0.77 -1.70 118.70 120.50 3fkb s GLU 83 Ca 0.16 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.67 3fkb s GLU 83 Cb -0.11 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.52 3fkb s GLU 83 CO 0.07 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 3fkb n GLY 84 N 2.49 2.33 3.71 -1.50 0.00 -0.20 -1.12 105.19 110.89 3fkb n GLY 84 Ca -0.16 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.89 2.61 -2.43 1.61 4.81 -1.25 -2.30 118.16 120.33 3fkb n LYS 85 Ca 0.00 0.94 -0.12 0.00 -0.87 0.00 0.00 58.31 58.26 3fkb n LYS 85 Cb 0.00 -2.77 -0.01 0.00 0.02 0.00 0.00 35.03 32.28 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 3.79 -0.47 0.26 3.14 0.00 -1.26 -4.86 105.19 105.78 3fkb n GLY 86 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 1.11 0.55 1.61 3.04 -1.76 -1.72 116.25 119.08 3fkb h VAL 87 Ca -0.28 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 64.96 3fkb h VAL 87 Cb 1.20 1.04 0.01 0.00 -2.01 0.00 0.00 31.29 31.52 3fkb h VAL 87 CO 0.33 0.14 -0.26 0.58 -1.01 0.00 0.00 177.57 177.34 3fkb h VAL 88 N 0.19 0.45 -0.21 1.51 2.07 -1.86 0.14 116.25 118.55 3fkb h VAL 88 Ca 0.05 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 3fkb h VAL 88 Cb 0.18 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3fkb h VAL 88 CO 0.01 0.01 -0.48 0.00 0.02 0.00 0.00 177.57 177.13 3fkb h ALA 89 N -0.33 0.78 -0.31 1.67 0.00 -1.86 -2.92 119.26 116.28 3fkb h ALA 89 Ca -0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3fkb h ALA 89 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fkb h ALA 89 CO 0.12 0.67 0.08 1.03 0.00 0.00 0.00 179.25 181.15 3fkb h SER 90 N 0.43 0.47 -0.75 0.00 0.87 -1.25 -1.82 113.55 111.50 3fkb h SER 90 Ca 0.02 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.39 3fkb h SER 90 Cb 1.00 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 3fkb h SER 90 CO 0.09 0.57 0.50 0.00 -0.53 0.00 0.00 176.83 177.46 3fkb h ALA 91 N 0.92 1.55 -0.41 6.23 0.00 -0.68 -0.72 119.26 126.13 3fkb h ALA 91 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3fkb h ALA 91 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fkb h ALA 91 CO -0.00 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 3fkb h ARG 92 N 0.93 0.75 -0.76 0.00 2.47 -1.30 -2.34 114.38 114.13 3fkb h ARG 92 Ca 0.30 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3fkb h ARG 92 Cb 0.04 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.26 3fkb h ARG 92 CO -0.08 0.85 0.34 1.25 0.56 0.00 0.00 179.97 182.89 3fkb h LEU 93 N 0.58 1.00 -1.47 3.04 5.85 -0.64 -1.81 115.31 121.85 3fkb h LEU 93 Ca 0.11 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3fkb h LEU 93 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3fkb h LEU 93 CO 0.03 0.86 -0.24 0.24 -0.34 0.00 0.00 178.44 178.99 3fkb h MET 94 N 1.09 0.00 0.23 1.25 2.86 -0.94 -3.09 114.93 116.32 3fkb h MET 94 Ca 0.26 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.58 3fkb h MET 94 Cb 0.14 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.83 3fkb h MET 94 CO -0.03 0.24 -1.41 0.82 1.06 0.00 0.00 176.91 177.59 3fkb h ILE 95 N 0.00 1.28 0.00 -1.22 2.04 -0.83 -0.53 117.51 118.25 3fkb h ILE 95 Ca -0.00 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.21 3fkb h ILE 95 Cb 0.56 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 3fkb h ILE 95 CO 0.03 0.80 0.00 0.61 0.00 0.00 0.00 178.15 179.59 3fkb n GLY 96 N 1.73 0.19 3.72 5.37 0.00 -0.75 -1.03 105.19 114.42 3fkb n GLY 96 Ca -0.17 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 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 2.06 0.26 1.61 -7.23 -1.26 -4.70 120.40 111.14 3fkb s VAL 97 Ca 0.00 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 3fkb s VAL 97 Cb 0.00 -2.86 0.24 0.00 0.56 0.00 0.00 36.38 34.32 3fkb s VAL 97 CO 0.00 0.00 1.73 0.74 -0.31 0.00 0.00 175.10 177.26 3fkb h THR 98 N 1.46 0.62 -3.59 5.32 2.02 -1.98 -3.36 112.91 113.40 3fkb h THR 98 Ca -0.43 -0.15 -0.63 0.00 0.77 0.00 0.00 66.41 65.97 3fkb h THR 98 Cb 1.26 0.13 -0.13 0.00 -1.74 0.00 0.00 68.15 67.67 3fkb h THR 98 CO 0.73 0.08 0.28 0.21 0.37 0.00 0.00 175.52 177.19 3fkb s ASN 99 N -5.32 6.42 0.47 4.18 2.47 -1.26 -4.73 114.94 117.17 3fkb s ASN 99 Ca -0.12 -0.03 0.18 0.00 0.42 0.00 0.00 52.86 53.31 3fkb s ASN 99 Cb 0.22 -2.36 1.17 0.00 -1.45 0.00 0.00 41.25 38.82 3fkb s ASN 99 CO 0.77 -0.80 1.98 -0.65 -3.72 0.00 0.00 177.10 174.67 3fkb h PRO 100 N 8.79 0.25 0.00 0.43 0.11 -1.85 -0.56 132.00 139.17 3fkb h PRO 100 Ca -0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3fkb h PRO 100 Cb 1.09 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fkb h PRO 100 CO 0.92 0.17 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.65 3fkb h LEU 101 N 0.26 0.00 -1.03 2.35 3.38 -1.80 -2.42 115.31 116.06 3fkb h LEU 101 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3fkb h LEU 101 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3fkb h LEU 101 CO -0.06 0.15 -0.30 0.00 0.09 0.00 0.00 178.44 178.33 3fkb n ALA 102 N -2.22 3.16 -2.41 1.53 0.00 -0.25 -4.91 120.51 115.42 3fkb n ALA 102 Ca -0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 3fkb n ALA 102 Cb 0.34 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.36 7.41 0.44 0.00 0.01 -0.91 -4.86 113.70 113.43 3fkb s SER 103 Ca 0.23 1.79 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 3fkb s SER 103 Cb 0.19 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 3fkb s SER 103 CO 0.49 -0.17 1.20 0.00 0.41 0.00 0.00 173.24 175.17 3fkb s ALA 104 N 0.38 3.06 0.47 1.44 0.00 -1.26 -4.24 121.76 121.61 3fkb s ALA 104 Ca 0.49 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 53.22 3fkb s ALA 104 Cb -0.23 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 3fkb s ALA 104 CO 0.30 -0.69 1.42 -0.35 0.00 0.00 0.00 175.76 176.44 3fkb n PRO 105 N -0.26 2.13 0.00 0.00 -0.04 -1.26 -2.03 135.00 133.55 3fkb n PRO 105 Ca 0.06 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3fkb n PRO 105 Cb 0.47 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 0.61 1.75 3.90 0.55 0.00 -1.26 -4.96 105.19 105.78 3fkb n GLY 106 Ca 0.06 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.22 6.15 0.08 1.61 1.04 -0.86 -4.91 113.70 116.59 3fkb s SER 107 Ca 0.00 0.95 -0.27 0.00 0.48 0.00 0.00 55.95 57.11 3fkb s SER 107 Cb 0.00 -2.19 -0.16 0.00 0.10 0.00 0.00 66.02 63.78 3fkb s SER 107 CO 0.00 -0.70 1.69 0.40 0.98 0.00 0.00 173.24 175.61 3fkb h ILE 108 N 0.09 0.70 -0.16 -1.02 2.04 -1.03 0.04 117.51 118.16 3fkb h ILE 108 Ca -0.46 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 3fkb h ILE 108 Cb 1.21 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3fkb h ILE 108 CO 0.62 0.00 -0.35 0.03 0.00 0.00 0.00 178.15 178.44 3fkb h ARG 109 N -0.39 0.34 -0.48 2.37 3.08 -1.35 -0.96 114.38 116.99 3fkb h ARG 109 Ca -0.03 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3fkb h ARG 109 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3fkb h ARG 109 CO 0.04 0.66 0.11 0.78 -1.07 0.00 0.00 179.97 180.50 3fkb h GLY 110 N 1.12 0.78 1.28 0.04 0.00 -1.65 -0.64 103.07 104.00 3fkb h GLY 110 Ca 0.03 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 3fkb h GLY 110 CO 0.06 0.41 -1.25 -0.55 0.00 0.00 0.00 176.54 175.21 3fkb h ASP 111 N 0.71 0.00 0.00 0.19 3.32 -0.71 -3.42 116.42 116.52 3fkb h ASP 111 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3fkb h ASP 111 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3fkb h ASP 111 CO -0.00 0.69 0.00 0.49 -1.72 0.00 0.00 179.24 178.69 3fkb n PHE 112 N -3.03 0.00 -4.42 4.55 3.72 -0.39 -5.07 117.46 112.82 3fkb n PHE 112 Ca -0.08 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.07 3fkb n PHE 112 Cb 0.87 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.31 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 -0.64 1.78 0.00 1.37 0.00 -0.26 -5.02 107.32 104.55 3fkb s GLY 113 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3fkb s GLY 113 CO 0.00 -1.77 0.00 3.33 0.00 0.00 0.00 173.10 174.66 3fkb n VAL 114 N -0.19 0.00 -5.06 1.40 0.24 -1.26 -4.21 118.33 109.25 3fkb n VAL 114 Ca -0.09 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 3fkb n VAL 114 Cb 0.58 0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.45 2.67 0.49 -1.34 -1.08 -1.26 -4.53 116.67 111.16 3fkb s ASP 115 Ca 0.00 -0.45 0.13 0.00 -0.52 0.00 0.00 52.55 51.71 3fkb s ASP 115 Cb 0.00 -0.84 1.14 0.00 -1.46 0.00 0.00 42.92 41.76 3fkb s ASP 115 CO 0.00 0.19 2.12 1.62 0.52 0.00 0.00 175.17 179.62 3fkb h VAL 116 N 5.28 1.03 -0.00 1.11 3.04 -1.97 -1.23 116.25 123.52 3fkb h VAL 116 Ca -0.30 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3fkb h VAL 116 Cb 1.19 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 3fkb h VAL 116 CO 0.47 0.03 -0.07 0.61 -1.01 0.00 0.00 177.57 177.61 3fkb n GLY 117 N -1.51 -1.27 2.41 3.17 0.00 -1.26 -3.71 105.19 103.02 3fkb n GLY 117 Ca -0.01 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.29 1.77 -0.32 1.61 5.12 -0.47 -4.94 116.66 118.14 3fkb n ARG 118 Ca 0.11 -3.97 0.04 0.00 -1.93 0.00 0.00 57.85 52.10 3fkb n ARG 118 Cb 0.29 -1.82 0.17 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.62 2.61 0.00 0.55 0.23 -1.19 -4.36 115.26 113.72 3fkb n ASN 119 Ca 0.26 -2.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3fkb n ASN 119 Cb 0.50 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 0.33 0.00 -3.73 1.53 5.41 -1.26 -4.74 119.36 116.90 3fkb n ILE 120 Ca 0.12 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3fkb n ILE 120 Cb 0.53 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.40 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 0.09 -0.02 1.39 2.07 -1.26 -1.05 121.20 122.41 3fkb s ILE 121 Ca 0.00 -0.71 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 3fkb s ILE 121 Cb 0.00 -1.06 0.01 0.00 0.13 0.00 0.00 42.46 41.53 3fkb s ILE 121 CO 0.00 -0.39 0.05 -0.83 -1.91 0.00 0.00 174.94 171.85 3fkb s GLY 122 N -2.37 -0.02 0.24 1.50 0.00 -0.80 -4.95 107.32 100.92 3fkb s GLY 122 Ca -0.01 0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.96 3fkb s GLY 122 CO -0.07 0.17 -0.18 -0.32 0.00 0.00 0.00 173.10 172.70 3fkb s GLY 123 N 0.12 1.68 0.41 0.20 0.00 -1.26 -1.31 107.32 107.16 3fkb s GLY 123 Ca -0.01 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 42.68 3fkb s GLY 123 CO -0.00 -1.86 1.38 1.44 0.00 0.00 0.00 173.10 174.06 3fkb n SER 124 N -0.46 3.14 0.00 1.64 7.64 -0.66 -4.91 113.62 120.02 3fkb n SER 124 Ca -0.07 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.08 3fkb n SER 124 Cb 0.60 -1.56 0.21 0.00 -1.01 0.00 0.00 64.21 62.45 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 0.20 0.55 -3.67 6.43 5.75 -1.26 -4.82 116.55 119.74 3fkb n ASP 125 Ca 0.05 -0.30 -0.09 0.00 -0.01 0.00 0.00 54.79 54.44 3fkb n ASP 125 Cb 0.40 0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.78 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 -3.06 -0.40 0.21 -1.12 1.04 -1.26 -4.93 113.70 104.19 3fkb s SER 126 Ca 0.10 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 3fkb s SER 126 Cb 0.17 0.67 0.17 0.00 0.10 0.00 0.00 66.02 67.13 3fkb s SER 126 CO 0.72 -1.18 1.85 0.58 0.98 0.00 0.00 173.24 176.19 3fkb h VAL 127 N 2.00 1.23 -0.50 5.02 2.07 -1.93 0.11 116.25 124.25 3fkb h VAL 127 Ca -0.26 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fkb h VAL 127 Cb 1.28 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3fkb h VAL 127 CO 0.30 0.24 0.30 -0.08 0.02 0.00 0.00 177.57 178.34 3fkb h GLU 128 N 1.09 0.69 -0.31 1.57 4.81 -1.97 -0.96 114.58 119.51 3fkb h GLU 128 Ca 0.29 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 3fkb h GLU 128 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3fkb h GLU 128 CO -0.05 0.51 -0.37 0.77 -0.73 0.00 0.00 179.01 179.14 3fkb h SER 129 N 0.67 0.74 -0.09 1.04 0.02 -1.86 -2.63 113.55 111.45 3fkb h SER 129 Ca 0.18 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3fkb h SER 129 Cb 0.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3fkb h SER 129 CO -0.03 1.03 0.06 0.00 -1.14 0.00 0.00 176.83 176.74 3fkb h ALA 130 N 1.01 0.11 -0.53 3.77 0.00 -0.42 0.61 119.26 123.80 3fkb h ALA 130 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fkb h ALA 130 Cb 0.89 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3fkb h ALA 130 CO 0.08 -0.40 0.25 -0.91 0.00 0.00 0.00 179.25 178.27 3fkb h ASN 131 N 0.12 0.67 -0.09 0.00 2.35 -1.14 0.13 115.58 117.62 3fkb h ASN 131 Ca 0.03 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3fkb h ASN 131 Cb -0.01 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3fkb h ASN 131 CO -0.01 0.58 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.23 3fkb h ARG 132 N 0.75 0.17 -0.60 0.81 2.43 -1.06 -2.61 114.38 114.27 3fkb h ARG 132 Ca 0.19 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3fkb h ARG 132 Cb 0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3fkb h ARG 132 CO -0.02 0.51 0.19 0.93 -1.51 0.00 0.00 179.97 180.07 3fkb h GLU 133 N -0.17 0.92 -0.81 0.20 5.08 -0.54 -1.57 114.58 117.69 3fkb h GLU 133 Ca 0.02 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3fkb h GLU 133 Cb 0.45 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3fkb h GLU 133 CO 0.01 0.82 0.53 0.82 -1.00 0.00 0.00 179.01 180.19 3fkb h ILE 134 N 0.84 1.16 0.00 3.13 2.04 -0.77 -0.62 117.51 123.30 3fkb h ILE 134 Ca 0.19 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 3fkb h ILE 134 Cb 0.28 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3fkb h ILE 134 CO -0.01 0.19 -0.39 0.00 0.00 0.00 0.00 178.15 177.94 3fkb h ALA 135 N 1.32 1.13 0.01 1.87 0.00 -1.19 -1.02 119.26 121.37 3fkb h ALA 135 Ca 0.31 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3fkb h ALA 135 Cb -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3fkb h ALA 135 CO -0.09 0.49 -0.85 1.25 0.00 0.00 0.00 179.25 180.05 3fkb h LEU 136 N 0.00 0.73 0.00 0.00 6.46 -0.33 -3.37 115.31 118.80 3fkb h LEU 136 Ca -0.00 -0.76 -0.20 0.00 -0.12 0.00 0.00 57.88 56.80 3fkb h LEU 136 Cb 0.80 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3fkb h LEU 136 CO 0.05 1.40 -1.62 0.79 -0.62 0.00 0.00 178.44 178.44 3fkb n TRP 137 N -4.02 0.79 -4.39 1.25 7.02 -0.33 -4.97 117.44 112.78 3fkb n TRP 137 Ca -0.11 0.27 -0.28 0.00 -1.02 0.00 0.00 57.50 56.36 3fkb n TRP 137 Cb 0.79 -1.05 -0.13 0.00 -2.42 0.00 0.00 31.31 28.51 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 -2.87 2.27 0.15 -5.99 0.08 -0.39 -5.10 117.98 106.13 3fkb s PHE 138 Ca -0.04 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.55 3fkb s PHE 138 Cb 0.09 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 3fkb s PHE 138 CO 0.82 0.39 0.43 0.15 -0.10 0.00 0.00 175.22 176.91 3fkb s LYS 139 N -2.27 3.71 0.33 0.44 1.02 -1.26 -4.54 119.74 117.17 3fkb s LYS 139 Ca 0.16 0.09 0.10 0.00 0.02 0.00 0.00 55.97 56.34 3fkb s LYS 139 Cb -0.09 -2.83 0.91 0.00 -0.52 0.00 0.00 37.83 35.29 3fkb s LYS 139 CO 0.07 0.45 1.74 -1.35 -0.92 0.00 0.00 175.35 175.33 3fkb h PRO 140 N 2.97 0.55 0.00 -1.68 0.11 -1.94 0.74 132.00 132.75 3fkb h PRO 140 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fkb h PRO 140 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fkb h PRO 140 CO 0.70 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 3fkb n GLU 141 N -4.85 0.00 -0.03 1.05 0.00 -1.26 -2.41 120.64 113.15 3fkb n GLU 141 Ca 0.27 0.20 0.13 0.00 0.00 0.00 0.00 57.16 57.75 3fkb n GLU 141 Cb 0.75 -1.50 0.42 0.00 0.00 0.00 0.00 31.44 31.11 3fkb n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3fkb n GLU 142 N -1.50 1.81 -4.85 3.44 1.02 0.25 -4.87 120.64 115.94 3fkb n GLU 142 Ca 0.04 -1.19 -0.33 0.00 -0.02 0.00 0.00 57.16 55.66 3fkb n GLU 142 Cb 0.20 -1.46 -0.13 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 -1.88 2.77 0.64 -4.62 1.43 -1.01 -4.53 118.68 111.48 3fkb s LEU 143 Ca 0.35 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 3fkb s LEU 143 Cb 0.20 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3fkb s LEU 143 CO 0.31 0.32 1.16 -0.76 0.23 0.00 0.00 176.35 177.61 3fkb s LEU 144 N -0.60 3.49 0.00 1.79 1.43 -0.34 -4.94 118.68 119.51 3fkb s LEU 144 Ca 0.09 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3fkb s LEU 144 Cb -0.11 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3fkb s LEU 144 CO 0.01 -1.71 0.36 0.35 0.23 0.00 0.00 176.35 175.59 3fkb n THR 145 N -2.13 0.00 0.00 5.49 -2.24 -1.26 -4.94 114.28 109.20 3fkb n THR 145 Ca 0.12 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3fkb n THR 145 Cb 0.51 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 3fkb n THR 145 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3fkb n GLU 146 N -0.02 0.00 0.00 -0.78 0.28 -1.26 -4.98 120.64 113.88 3fkb n GLU 146 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3fkb n GLU 146 Cb 0.06 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.93 3fkb n GLU 146 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3fkb n VAL 147 N 0.00 0.00 -1.82 3.84 0.31 -1.26 -4.91 118.33 114.50 3fkb n VAL 147 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3fkb n VAL 147 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3fkb n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3fkb n LYS 148 N 0.00 -2.40 -1.59 5.55 5.02 -1.26 -4.92 118.16 118.57 3fkb n LYS 148 Ca 0.00 2.02 -0.46 0.00 -2.02 0.00 0.00 58.31 57.85 3fkb n LYS 148 Cb 0.00 -2.73 -0.02 0.00 -0.02 0.00 0.00 35.03 32.25 3fkb n LYS 148 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3fkb n PRO 149 N 0.86 1.31 -3.49 1.97 -0.02 -1.26 -4.96 135.00 129.42 3fkb n PRO 149 Ca -0.09 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 3fkb n PRO 149 Cb 0.14 -1.89 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3fkb n PRO 149 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fkb s ASN 150 N -0.33 6.10 0.50 2.55 3.04 -1.26 -4.96 114.94 120.58 3fkb s ASN 150 Ca 0.64 -0.36 0.34 0.00 0.04 0.00 0.00 52.86 53.51 3fkb s ASN 150 Cb -0.75 -2.16 1.75 0.00 -1.54 0.00 0.00 41.25 38.55 3fkb s ASN 150 CO 0.57 -0.27 2.02 1.55 -3.04 0.00 0.00 177.10 177.93 3fkb h PRO 151 N 8.48 0.00 0.00 0.43 0.13 -1.93 -1.36 132.00 137.76 3fkb h PRO 151 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3fkb h PRO 151 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3fkb h PRO 151 CO 0.65 0.00 -0.41 -0.91 -0.23 0.00 0.00 178.00 177.10 3fkb h ASN 152 N 0.00 0.00 0.03 1.44 2.35 -2.01 -3.36 115.58 114.03 3fkb h ASN 152 Ca 0.00 -0.05 -0.37 0.00 -0.55 0.00 0.00 56.30 55.33 3fkb h ASN 152 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 3fkb h ASN 152 CO 0.00 0.02 -2.37 0.18 -1.65 0.00 0.00 177.43 173.61 3fkb n LEU 153 N -2.61 1.62 -4.22 1.61 4.77 -0.56 -4.99 117.00 112.62 3fkb n LEU 153 Ca 0.03 -0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3fkb n LEU 153 Cb 0.50 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 3fkb n LEU 153 CO 0.35 0.72 -0.52 -0.31 -1.33 0.00 0.00 177.39 176.31 3fkb s TYR 154 N -2.51 1.79 -2.27 -1.77 2.02 -0.89 -5.09 117.35 108.64 3fkb s TYR 154 Ca -0.22 -0.35 0.30 0.00 -0.37 0.00 0.00 57.07 56.43 3fkb s TYR 154 Cb 0.08 -1.13 1.45 0.00 -0.40 0.00 0.00 41.96 41.96 3fkb s TYR 154 CO 0.72 0.01 1.97 -1.91 -1.57 0.00 0.00 175.55 174.77