#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkb n ASN 7 N 0.00 0.00 -0.88 -1.34 3.02 -1.26 -3.22 115.26 111.57 3fkb n ASN 7 Ca 0.00 -0.44 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 3fkb n ASN 7 Cb 0.00 -0.19 0.28 0.00 -0.61 0.00 0.00 39.78 39.26 3fkb n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fkb n LYS 8 N -1.19 2.16 -1.72 3.52 4.76 -1.26 -3.30 118.16 121.14 3fkb n LYS 8 Ca 0.18 -1.74 -0.39 0.00 -2.87 0.00 0.00 58.31 53.48 3fkb n LYS 8 Cb 0.20 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 31.96 3fkb n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3fkb n GLU 9 N 0.97 1.76 -4.21 1.97 2.13 -1.20 -4.69 120.64 117.38 3fkb n GLU 9 Ca 0.18 0.64 -0.16 0.00 0.66 0.00 0.00 57.16 58.47 3fkb n GLU 9 Cb 0.49 -2.47 -0.11 0.00 0.27 0.00 0.00 31.44 29.62 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 -2.57 0.94 0.03 5.31 0.52 -1.26 -0.98 118.95 120.94 3fkb s ARG 10 Ca 0.67 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 3fkb s ARG 10 Cb -0.45 -0.71 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 3fkb s ARG 10 CO 0.53 0.12 -0.00 -0.08 0.02 0.00 0.00 175.30 175.89 3fkb s THR 11 N -2.33 0.15 -0.17 0.02 -1.32 -0.72 -4.70 115.64 106.57 3fkb s THR 11 Ca 0.07 -1.27 -0.07 0.00 -1.21 0.00 0.00 61.69 59.21 3fkb s THR 11 Cb -0.04 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 3fkb s THR 11 CO 0.01 -0.70 0.05 0.12 -2.21 0.00 0.00 174.62 171.90 3fkb s PHE 12 N -2.60 3.24 -0.03 9.09 2.19 -1.26 -2.15 117.98 126.46 3fkb s PHE 12 Ca -0.05 0.06 0.04 0.00 0.33 0.00 0.00 56.93 57.32 3fkb s PHE 12 Cb -0.02 -2.05 -0.01 0.00 -1.31 0.00 0.00 43.02 39.64 3fkb s PHE 12 CO -0.05 0.18 -0.16 -0.51 1.83 0.00 0.00 175.22 176.50 3fkb s LEU 13 N 0.24 1.94 -0.14 6.12 1.43 -0.20 -1.83 118.68 126.24 3fkb s LEU 13 Ca 0.03 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3fkb s LEU 13 Cb -0.12 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.22 3fkb s LEU 13 CO 0.01 0.16 -0.10 0.00 0.23 0.00 0.00 176.35 176.65 3fkb s ALA 14 N -0.09 1.62 -0.47 4.21 0.00 -0.63 -0.94 121.76 125.46 3fkb s ALA 14 Ca -0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.92 3fkb s ALA 14 Cb -0.10 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3fkb s ALA 14 CO 0.01 -0.48 0.95 0.08 0.00 0.00 0.00 175.76 176.32 3fkb s VAL 15 N 1.58 4.44 0.99 0.00 1.01 -0.23 -1.87 120.40 126.32 3fkb s VAL 15 Ca 0.04 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 3fkb s VAL 15 Cb -0.13 -4.46 0.18 0.00 0.00 0.00 0.00 36.38 31.97 3fkb s VAL 15 CO -0.09 -0.89 1.09 -0.54 0.00 0.00 0.00 175.10 174.67 3fkb s LYS 16 N 3.85 0.51 0.37 2.72 1.02 -0.27 -1.77 119.74 126.17 3fkb s LYS 16 Ca 0.37 0.62 0.19 0.00 0.02 0.00 0.00 55.97 57.17 3fkb s LYS 16 Cb -0.10 -1.74 1.19 0.00 -0.52 0.00 0.00 37.83 36.66 3fkb s LYS 16 CO 0.26 -2.70 1.66 -1.35 -0.92 0.00 0.00 175.35 172.30 3fkb h PRO 17 N -1.87 0.24 -0.36 -1.68 0.11 -1.84 0.69 132.00 127.29 3fkb h PRO 17 Ca -0.54 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.39 3fkb h PRO 17 Cb 1.32 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fkb h PRO 17 CO 0.56 0.16 -0.43 0.38 -0.21 0.00 0.00 178.00 178.46 3fkb h ASP 18 N 0.25 0.99 -0.71 -2.05 2.03 -1.88 -0.40 116.42 114.65 3fkb h ASP 18 Ca 0.75 -0.48 -0.06 0.00 -0.73 0.00 0.00 57.03 56.51 3fkb h ASP 18 Cb 1.91 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 40.10 3fkb h ASP 18 CO -0.54 1.28 0.20 1.23 -1.03 0.00 0.00 179.24 180.37 3fkb h GLY 19 N 0.76 1.21 0.63 7.15 0.00 -1.01 -1.43 103.07 110.38 3fkb h GLY 19 Ca 0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 3fkb h GLY 19 CO 0.10 0.69 -0.03 -2.08 0.00 0.00 0.00 176.54 175.23 3fkb h VAL 20 N 1.07 1.34 -0.40 4.60 2.07 -1.26 -1.54 116.25 122.12 3fkb h VAL 20 Ca 0.23 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3fkb h VAL 20 Cb 0.34 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3fkb h VAL 20 CO -0.00 0.29 0.26 0.00 0.02 0.00 0.00 177.57 178.14 3fkb h ALA 21 N 0.60 1.89 -0.14 1.67 0.00 -0.97 -1.29 119.26 121.01 3fkb h ALA 21 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fkb h ALA 21 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fkb h ALA 21 CO 0.01 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.85 3fkb n ARG 22 N -4.48 1.55 -3.14 0.00 1.74 -0.55 -4.94 116.66 106.84 3fkb n ARG 22 Ca 0.04 -0.84 -0.15 0.00 -0.77 0.00 0.00 57.85 56.14 3fkb n ARG 22 Cb 0.18 -1.35 0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.03 -0.09 0.70 -0.13 0.00 -0.49 -4.96 105.19 101.25 3fkb n GLY 23 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.42 2.88 0.17 0.99 4.77 -0.59 -4.69 117.00 117.11 3fkb n LEU 24 Ca -0.08 -1.81 -0.14 0.00 -0.03 0.00 0.00 56.01 53.95 3fkb n LEU 24 Cb 0.57 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3fkb n LEU 24 CO 0.44 0.69 0.77 0.58 -1.33 0.00 0.00 177.39 178.54 3fkb h VAL 25 N 2.38 0.74 -0.39 4.08 2.07 -1.88 -1.64 116.25 121.60 3fkb h VAL 25 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3fkb h VAL 25 Cb 0.72 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3fkb h VAL 25 CO 0.00 0.01 0.21 1.23 0.02 0.00 0.00 177.57 179.04 3fkb h GLY 26 N -0.39 0.59 0.42 2.17 0.00 -1.97 -0.92 103.07 102.98 3fkb h GLY 26 Ca -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.11 3fkb h GLY 26 CO 0.06 0.26 0.19 -2.09 0.00 0.00 0.00 176.54 174.96 3fkb h GLU 27 N 0.50 0.35 -0.05 4.80 4.57 -1.84 0.11 114.58 123.02 3fkb h GLU 27 Ca 0.14 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3fkb h GLU 27 Cb 0.06 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3fkb h GLU 27 CO -0.02 0.23 -0.01 0.82 -1.18 0.00 0.00 179.01 178.86 3fkb h ILE 28 N 0.37 1.28 -0.76 2.32 2.04 -1.01 -2.52 117.51 119.21 3fkb h ILE 28 Ca 0.28 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3fkb h ILE 28 Cb 0.33 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3fkb h ILE 28 CO -0.29 0.23 0.49 0.40 0.00 0.00 0.00 178.15 178.98 3fkb h ILE 29 N -0.23 1.13 -0.90 -0.67 2.04 -0.93 -2.21 117.51 115.74 3fkb h ILE 29 Ca 0.01 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3fkb h ILE 29 Cb 0.37 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 3fkb h ILE 29 CO 0.00 0.17 0.57 0.00 0.00 0.00 0.00 178.15 178.90 3fkb h ALA 30 N 1.31 1.22 -0.83 1.87 0.00 -0.92 -0.55 119.26 121.37 3fkb h ALA 30 Ca 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3fkb h ALA 30 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3fkb h ALA 30 CO -0.10 0.36 0.55 0.00 0.00 0.00 0.00 179.25 180.05 3fkb h ARG 31 N 1.06 1.07 -0.06 0.00 3.08 -0.95 0.43 114.38 119.02 3fkb h ARG 31 Ca 0.38 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 3fkb h ARG 31 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3fkb h ARG 31 CO -0.16 0.71 -0.68 1.88 -1.07 0.00 0.00 179.97 180.65 3fkb h TYR 32 N 1.10 0.34 -0.37 3.04 0.05 -1.21 -2.42 116.97 117.50 3fkb h TYR 32 Ca 0.31 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.88 3fkb h TYR 32 Cb -0.10 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3fkb h TYR 32 CO -0.02 0.85 -0.02 0.93 -1.05 0.00 0.00 178.16 178.85 3fkb h GLU 33 N 0.18 0.67 -0.08 4.88 5.08 -0.62 -2.80 114.58 121.88 3fkb h GLU 33 Ca -0.02 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3fkb h GLU 33 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3fkb h GLU 33 CO 0.11 0.79 -0.14 0.87 -1.00 0.00 0.00 179.01 179.64 3fkb h LYS 34 N 0.49 0.13 0.00 2.33 1.57 -0.86 -2.07 116.57 118.16 3fkb h LYS 34 Ca 0.10 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3fkb h LYS 34 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fkb h LYS 34 CO 0.02 0.27 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.71 3fkb h LYS 35 N 0.12 0.00 0.00 3.15 1.63 -1.23 -3.47 116.57 116.77 3fkb h LYS 35 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3fkb h LYS 35 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3fkb h LYS 35 CO 0.02 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 3fkb n GLY 36 N -0.25 0.87 3.77 5.01 0.00 -0.78 -5.10 105.19 108.73 3fkb n GLY 36 Ca -0.01 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 3.03 -0.16 1.61 0.08 -1.08 -4.76 117.98 114.71 3fkb s PHE 37 Ca 0.00 1.57 -0.11 0.00 0.12 0.00 0.00 56.93 58.51 3fkb s PHE 37 Cb 0.00 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 3fkb s PHE 37 CO 0.00 -1.24 0.21 0.08 -0.10 0.00 0.00 175.22 174.17 3fkb s VAL 38 N -1.53 5.37 -0.29 -0.44 1.01 -0.36 -4.44 120.40 119.71 3fkb s VAL 38 Ca 0.60 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 3fkb s VAL 38 Cb -0.28 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3fkb s VAL 38 CO 0.34 0.46 1.24 -0.22 0.00 0.00 0.00 175.10 176.92 3fkb s LEU 39 N 0.09 3.92 0.00 3.92 2.96 -1.26 -0.35 118.68 127.96 3fkb s LEU 39 Ca 0.13 1.22 0.10 0.00 -0.22 0.00 0.00 54.13 55.35 3fkb s LEU 39 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 3fkb s LEU 39 CO 0.02 -1.00 0.59 1.33 -1.32 0.00 0.00 176.35 175.97 3fkb n VAL 40 N 6.04 0.00 -3.65 1.68 0.24 0.17 -4.93 118.33 117.88 3fkb n VAL 40 Ca 0.14 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 3fkb n VAL 40 Cb 0.47 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.41 -0.51 -0.28 7.63 0.00 -1.15 -1.07 107.32 110.54 3fkb s GLY 41 Ca 0.07 1.92 -0.21 0.00 0.00 0.00 0.00 44.72 46.50 3fkb s GLY 41 CO 0.26 1.70 0.73 -2.27 0.00 0.00 0.00 173.10 173.53 3fkb s LEU 42 N 0.54 -0.81 -0.23 0.66 2.96 -1.26 -1.05 118.68 119.50 3fkb s LEU 42 Ca -0.02 1.43 -0.29 0.00 -0.22 0.00 0.00 54.13 55.03 3fkb s LEU 42 Cb -0.05 2.38 0.16 0.00 0.50 0.00 0.00 46.19 49.19 3fkb s LEU 42 CO -0.02 -0.24 1.18 -1.59 -1.32 0.00 0.00 176.35 174.36 3fkb s LYS 43 N 0.92 0.33 -0.12 1.98 -2.85 -0.49 -5.01 119.74 114.51 3fkb s LYS 43 Ca -0.04 0.10 -0.05 0.00 -1.00 0.00 0.00 55.97 54.98 3fkb s LYS 43 Cb -0.05 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 3fkb s LYS 43 CO -0.09 -0.10 0.08 -1.14 0.10 0.00 0.00 175.35 174.20 3fkb s GLN 44 N -0.96 3.36 0.23 1.78 0.74 -1.26 -0.52 119.66 123.03 3fkb s GLN 44 Ca 0.03 -0.27 -0.19 0.00 0.05 0.00 0.00 55.36 54.98 3fkb s GLN 44 Cb -0.01 -3.05 0.03 0.00 1.10 0.00 0.00 33.01 31.08 3fkb s GLN 44 CO -0.04 0.67 0.61 -0.48 -0.55 0.00 0.00 175.29 175.50 3fkb s LEU 45 N -0.74 -0.14 -0.41 3.68 2.34 -0.33 -4.97 118.68 118.11 3fkb s LEU 45 Ca 0.12 -0.50 -0.06 0.00 0.06 0.00 0.00 54.13 53.76 3fkb s LEU 45 Cb -0.12 2.41 0.10 0.00 -0.56 0.00 0.00 46.19 48.02 3fkb s LEU 45 CO 0.03 -1.17 0.23 -0.69 -1.06 0.00 0.00 176.35 173.69 3fkb s VAL 46 N -3.89 3.69 0.37 1.48 1.01 -1.26 -0.33 120.40 121.47 3fkb s VAL 46 Ca 0.10 -1.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.07 3fkb s VAL 46 Cb -0.03 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 3fkb s VAL 46 CO 0.01 -0.60 0.85 -2.65 0.00 0.00 0.00 175.10 172.70 3fkb n PRO 47 N 4.74 1.04 -2.61 2.72 -0.02 -1.26 -5.00 135.00 134.61 3fkb n PRO 47 Ca -0.06 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 3fkb n PRO 47 Cb 0.42 -1.77 0.02 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.26 3.90 0.20 3.45 -4.23 -1.26 -4.62 115.64 111.81 3fkb s THR 48 Ca 0.62 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 3fkb s THR 48 Cb -0.63 -3.50 0.12 0.00 1.34 0.00 0.00 72.50 69.82 3fkb s THR 48 CO 0.58 -0.46 1.84 0.50 -0.54 0.00 0.00 174.62 176.54 3fkb h LYS 49 N 0.06 0.77 -0.48 3.99 3.64 -1.94 -1.35 116.57 121.26 3fkb h LYS 49 Ca -0.46 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3fkb h LYS 49 Cb 1.25 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3fkb h LYS 49 CO 0.60 0.51 0.28 -0.44 -2.27 0.00 0.00 179.45 178.12 3fkb h ASP 50 N 0.80 0.44 -0.36 4.20 3.32 -1.99 0.06 116.42 122.89 3fkb h ASP 50 Ca 0.25 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3fkb h ASP 50 Cb -0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3fkb h ASP 50 CO -0.09 0.31 0.19 0.25 -1.72 0.00 0.00 179.24 178.18 3fkb h LEU 51 N 0.55 0.46 -0.36 1.55 5.85 -1.86 -2.05 115.31 119.45 3fkb h LEU 51 Ca 0.19 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3fkb h LEU 51 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3fkb h LEU 51 CO -0.09 0.44 0.22 0.00 -0.34 0.00 0.00 178.44 178.67 3fkb h ALA 52 N 1.05 0.45 -0.02 1.25 0.00 -0.84 0.30 119.26 121.45 3fkb h ALA 52 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3fkb h ALA 52 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fkb h ALA 52 CO -0.02 -0.06 -0.31 0.93 0.00 0.00 0.00 179.25 179.79 3fkb h GLU 53 N 0.47 0.03 -0.05 0.00 5.08 -0.89 -1.45 114.58 117.77 3fkb h GLU 53 Ca 0.13 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 3fkb h GLU 53 Cb -0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3fkb h GLU 53 CO -0.03 0.34 -0.74 0.77 -1.00 0.00 0.00 179.01 178.35 3fkb h SER 54 N 0.03 0.75 -0.58 1.42 0.02 -1.00 -2.28 113.55 111.89 3fkb h SER 54 Ca 0.00 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.28 3fkb h SER 54 Cb 0.56 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3fkb h SER 54 CO 0.04 1.34 0.35 -0.74 -1.14 0.00 0.00 176.83 176.68 3fkb h HIS 55 N 0.22 0.65 -0.78 3.45 -0.00 -0.57 -2.51 115.15 115.61 3fkb h HIS 55 Ca -0.08 0.02 -0.27 0.00 -0.00 0.00 0.00 60.37 60.04 3fkb h HIS 55 Cb 1.41 -0.21 -0.16 0.00 -0.00 0.00 0.00 27.41 28.45 3fkb h HIS 55 CO 0.11 0.36 0.34 0.66 -0.00 0.00 0.00 177.93 179.41 3fkb n TYR 56 N -4.76 2.55 -0.34 5.26 4.01 -0.58 -4.69 117.16 118.61 3fkb n TYR 56 Ca 0.05 -1.29 0.20 0.00 -0.16 0.00 0.00 57.90 56.70 3fkb n TYR 56 Cb 0.09 -0.73 0.42 0.00 -0.31 0.00 0.00 39.34 38.81 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 2.41 1.82 -0.00 -0.72 0.00 -0.94 0.00 119.26 121.84 3fkb h ALA 57 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3fkb h ALA 57 Cb 2.42 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 3fkb h ALA 57 CO 0.80 -0.41 0.06 1.05 0.00 0.00 0.00 179.25 180.75 3fkb h GLU 58 N 0.45 0.00 -0.29 0.00 4.11 -1.85 -1.62 114.58 115.38 3fkb h GLU 58 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.11 3fkb h GLU 58 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3fkb h GLU 58 CO -0.54 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.26 3fkb n HIS 59 N -3.05 0.96 -0.09 2.06 8.25 -0.01 -4.70 115.22 118.63 3fkb n HIS 59 Ca -0.03 -0.82 0.21 0.00 -0.26 0.00 0.00 57.72 56.82 3fkb n HIS 59 Cb 0.12 -0.29 0.64 0.00 1.12 0.00 0.00 29.99 31.59 3fkb n HIS 59 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3fkb h LYS 60 N 1.98 0.12 -0.02 -0.41 3.64 -1.34 0.31 116.57 120.85 3fkb h LYS 60 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fkb h LYS 60 Cb 1.39 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3fkb h LYS 60 CO 0.21 0.08 -0.15 0.39 -2.27 0.00 0.00 179.45 177.71 3fkb n GLU 61 N -4.39 1.68 -2.61 1.90 -0.58 -1.26 -4.91 120.64 110.47 3fkb n GLU 61 Ca 0.13 -1.25 -0.35 0.00 -0.42 0.00 0.00 57.16 55.27 3fkb n GLU 61 Cb 0.67 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 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 -2.18 4.02 0.55 3.49 1.81 0.10 -4.95 118.95 121.79 3fkb s ARG 62 Ca 0.28 1.35 0.33 0.00 -1.72 0.00 0.00 55.73 55.97 3fkb s ARG 62 Cb 0.20 -2.27 1.57 0.00 -0.45 0.00 0.00 34.95 34.00 3fkb s ARG 62 CO 0.40 -0.24 2.08 -1.35 -0.68 0.00 0.00 175.30 175.52 3fkb h PRO 63 N 1.97 0.00 -0.32 3.54 0.11 -1.92 -2.65 132.00 132.72 3fkb h PRO 63 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fkb h PRO 63 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fkb h PRO 63 CO 0.61 0.07 0.00 1.97 -0.21 0.00 0.00 178.00 180.44 3fkb n PHE 64 N -3.33 0.41 -0.05 0.65 1.16 -1.26 -4.49 117.46 110.55 3fkb n PHE 64 Ca -0.01 -0.21 -0.08 0.00 -1.87 0.00 0.00 57.45 55.28 3fkb n PHE 64 Cb 0.24 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.09 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 4.13 -0.04 -0.83 2.97 3.04 -1.66 -1.57 116.94 122.98 3fkb h PHE 65 Ca 0.00 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.05 3fkb h PHE 65 Cb 0.91 0.05 -0.07 0.00 2.56 0.00 0.00 35.95 39.39 3fkb h PHE 65 CO 0.21 -0.05 0.48 0.78 -2.02 0.00 0.00 178.31 177.71 3fkb h GLY 66 N 0.05 1.28 1.10 2.40 0.00 -1.81 -1.59 103.07 104.49 3fkb h GLY 66 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3fkb h GLY 66 CO -0.18 0.16 0.08 -1.33 0.00 0.00 0.00 176.54 175.26 3fkb h GLY 67 N 0.83 1.18 0.97 4.60 0.00 -1.73 0.40 103.07 109.32 3fkb h GLY 67 Ca 0.39 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3fkb h GLY 67 CO -0.23 0.74 0.21 1.41 0.00 0.00 0.00 176.54 178.67 3fkb h LEU 68 N 1.02 0.67 -0.21 3.11 3.38 -0.64 -1.11 115.31 121.52 3fkb h LEU 68 Ca 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3fkb h LEU 68 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fkb h LEU 68 CO 0.02 0.64 -0.11 0.58 0.09 0.00 0.00 178.44 179.66 3fkb h VAL 69 N 0.65 1.31 -0.69 1.22 2.07 -1.16 -2.46 116.25 117.19 3fkb h VAL 69 Ca 0.16 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3fkb h VAL 69 Cb 0.17 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3fkb h VAL 69 CO -0.02 0.36 0.40 0.28 0.02 0.00 0.00 177.57 178.62 3fkb h SER 70 N 0.15 0.84 -0.22 0.57 0.02 -0.83 -2.86 113.55 111.22 3fkb h SER 70 Ca 0.05 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 3fkb h SER 70 Cb 0.61 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3fkb h SER 70 CO 0.03 0.67 -0.35 0.15 -1.14 0.00 0.00 176.83 176.19 3fkb h PHE 71 N 0.94 0.77 0.00 3.45 3.57 -1.21 -2.44 116.94 122.02 3fkb h PHE 71 Ca 0.25 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3fkb h PHE 71 Cb -0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3fkb h PHE 71 CO -0.01 1.01 0.00 1.51 -2.23 0.00 0.00 178.31 178.59 3fkb n ILE 72 N -4.27 0.89 0.26 1.41 3.06 -0.93 -1.63 119.36 118.15 3fkb n ILE 72 Ca -0.05 0.32 0.08 0.00 -2.50 0.00 0.00 62.75 60.59 3fkb n ILE 72 Cb 0.51 -1.25 0.13 0.00 0.54 0.00 0.00 39.64 39.56 3fkb n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3fkb n THR 73 N -2.19 0.43 0.75 9.51 -2.24 -1.08 -4.39 114.28 115.07 3fkb n THR 73 Ca 0.02 -0.71 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3fkb n THR 73 Cb 0.19 0.97 0.50 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.87 0.39 -2.34 3.42 3.41 -0.65 -4.81 113.62 113.91 3fkb n SER 74 Ca 0.12 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.26 3fkb n SER 74 Cb 0.43 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.16 0.81 3.77 5.00 0.00 -1.26 -5.11 105.19 109.57 3fkb n GLY 75 Ca 0.06 -1.03 -0.40 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 -2.02 3.94 0.02 1.61 0.04 -1.26 -4.54 135.00 132.79 3fkb s PRO 76 Ca 0.14 2.31 0.06 0.00 0.04 0.00 0.00 61.00 63.54 3fkb s PRO 76 Cb -0.01 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3fkb s PRO 76 CO 0.02 -0.57 -0.16 0.08 0.04 0.00 0.00 177.00 176.41 3fkb s VAL 77 N -1.21 1.30 -0.36 -0.36 1.01 0.55 -3.73 120.40 117.61 3fkb s VAL 77 Ca 0.57 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3fkb s VAL 77 Cb -0.41 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3fkb s VAL 77 CO 0.54 0.17 0.15 -0.69 0.00 0.00 0.00 175.10 175.27 3fkb s VAL 78 N -0.68 4.09 -0.01 2.92 1.01 -0.73 -1.19 120.40 125.81 3fkb s VAL 78 Ca 0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3fkb s VAL 78 Cb -0.08 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3fkb s VAL 78 CO 0.01 -0.22 0.42 0.00 0.00 0.00 0.00 175.10 175.31 3fkb s ALA 79 N 1.46 3.67 0.07 5.51 0.00 0.32 -1.07 121.76 131.73 3fkb s ALA 79 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 3fkb s ALA 79 Cb -0.20 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.52 3fkb s ALA 79 CO 0.04 0.43 0.26 0.00 0.00 0.00 0.00 175.76 176.49 3fkb s MET 80 N -0.90 0.84 -0.07 0.00 0.23 -0.11 -1.40 119.30 117.89 3fkb s MET 80 Ca 0.24 -0.72 0.02 0.00 -1.03 0.00 0.00 55.69 54.20 3fkb s MET 80 Cb -0.17 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 3fkb s MET 80 CO 0.13 -0.28 -0.11 0.08 -2.03 0.00 0.00 175.02 172.81 3fkb s VAL 81 N -3.22 1.07 0.03 5.16 1.01 -0.21 -1.03 120.40 123.21 3fkb s VAL 81 Ca -0.00 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.63 3fkb s VAL 81 Cb 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3fkb s VAL 81 CO -0.08 0.35 -0.20 -0.36 0.00 0.00 0.00 175.10 174.81 3fkb s PHE 82 N 0.82 2.50 -0.03 5.22 0.08 -0.91 -0.65 117.98 124.99 3fkb s PHE 82 Ca -0.12 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.71 3fkb s PHE 82 Cb -0.15 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3fkb s PHE 82 CO 0.02 0.20 -0.25 -2.00 -0.10 0.00 0.00 175.22 173.09 3fkb s GLU 83 N -1.29 2.24 0.00 0.44 2.12 0.53 -1.76 118.70 120.97 3fkb s GLU 83 Ca 0.13 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.55 3fkb s GLU 83 Cb -0.10 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.20 3fkb s GLU 83 CO 0.04 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 3fkb n GLY 84 N 2.56 2.18 3.71 -1.50 0.00 -0.15 -1.22 105.19 110.77 3fkb n GLY 84 Ca -0.16 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.81 2.62 -2.04 1.61 4.81 -1.23 -2.18 118.16 120.94 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 -2.76 -0.02 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 3.62 0.10 0.32 3.14 0.00 -1.26 -4.85 105.19 106.26 3fkb n GLY 86 Ca 0.15 0.00 0.09 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 0.99 0.60 1.61 3.04 -1.73 -1.43 116.25 119.32 3fkb h VAL 87 Ca -0.27 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.27 3fkb h VAL 87 Cb 1.06 0.62 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 3fkb h VAL 87 CO 0.35 0.06 -0.29 0.58 -1.01 0.00 0.00 177.57 177.26 3fkb h VAL 88 N 0.34 0.37 -0.47 1.51 2.07 -1.86 0.52 116.25 118.73 3fkb h VAL 88 Ca 0.16 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3fkb h VAL 88 Cb 0.22 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3fkb h VAL 88 CO -0.04 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 177.53 3fkb h ALA 89 N -0.59 1.04 -0.39 1.67 0.00 -1.86 -2.77 119.26 116.36 3fkb h ALA 89 Ca -0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3fkb h ALA 89 Cb 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fkb h ALA 89 CO 0.14 0.59 0.01 1.03 0.00 0.00 0.00 179.25 181.02 3fkb h SER 90 N 0.74 0.67 -0.74 0.00 0.87 -1.22 -2.18 113.55 111.69 3fkb h SER 90 Ca 0.14 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3fkb h SER 90 Cb 0.52 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3fkb h SER 90 CO 0.03 0.81 0.40 0.00 -0.53 0.00 0.00 176.83 177.54 3fkb h ALA 91 N 0.89 1.28 -0.57 6.23 0.00 -0.79 -0.25 119.26 126.05 3fkb h ALA 91 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3fkb h ALA 91 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fkb h ALA 91 CO 0.02 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.94 3fkb h ARG 92 N 1.06 0.93 -0.61 0.00 2.47 -1.33 -2.08 114.38 114.81 3fkb h ARG 92 Ca 0.27 -0.25 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 3fkb h ARG 92 Cb 0.05 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3fkb h ARG 92 CO -0.04 0.89 0.08 1.25 0.56 0.00 0.00 179.97 182.71 3fkb h LEU 93 N 0.83 0.97 -1.43 3.04 5.85 -0.82 -1.73 115.31 122.02 3fkb h LEU 93 Ca 0.17 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3fkb h LEU 93 Cb 0.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3fkb h LEU 93 CO 0.01 0.98 -0.23 0.24 -0.34 0.00 0.00 178.44 179.11 3fkb h MET 94 N 0.95 0.00 0.18 1.25 2.86 -0.82 -3.08 114.93 116.27 3fkb h MET 94 Ca 0.19 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.58 3fkb h MET 94 Cb 0.44 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.13 3fkb h MET 94 CO 0.01 0.23 -1.09 0.82 1.06 0.00 0.00 176.91 177.94 3fkb h ILE 95 N 0.00 1.40 0.00 -1.22 2.04 -0.95 -0.82 117.51 117.97 3fkb h ILE 95 Ca -0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.26 3fkb h ILE 95 Cb 0.59 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 3fkb h ILE 95 CO 0.03 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.54 3fkb n GLY 96 N 1.69 0.22 3.68 5.37 0.00 -0.69 -0.82 105.19 114.63 3fkb n GLY 96 Ca -0.16 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 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 2.46 0.25 1.61 -7.23 -1.26 -4.69 120.40 111.54 3fkb s VAL 97 Ca 0.00 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 3fkb s VAL 97 Cb 0.00 -2.91 0.37 0.00 0.56 0.00 0.00 36.38 34.40 3fkb s VAL 97 CO 0.00 -0.10 1.59 0.74 -0.31 0.00 0.00 175.10 177.02 3fkb h THR 98 N 1.65 0.15 -3.58 5.32 2.02 -1.98 -3.34 112.91 113.15 3fkb h THR 98 Ca -0.43 -0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.12 3fkb h THR 98 Cb 1.25 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 67.68 3fkb h THR 98 CO 0.70 0.00 0.24 0.21 0.37 0.00 0.00 175.52 177.04 3fkb s ASN 99 N -5.24 6.42 0.47 4.18 3.04 -1.26 -4.66 114.94 117.89 3fkb s ASN 99 Ca -0.15 0.01 0.17 0.00 0.04 0.00 0.00 52.86 52.93 3fkb s ASN 99 Cb 0.24 -2.35 1.16 0.00 -1.54 0.00 0.00 41.25 38.75 3fkb s ASN 99 CO 0.76 -0.75 2.01 -0.65 -3.04 0.00 0.00 177.10 175.44 3fkb h PRO 100 N 8.70 0.24 0.00 0.43 0.11 -1.83 -0.91 132.00 138.73 3fkb h PRO 100 Ca -0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3fkb h PRO 100 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fkb h PRO 100 CO 0.90 0.16 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.64 3fkb h LEU 101 N 0.25 0.00 -1.65 2.35 3.38 -1.79 -2.18 115.31 115.67 3fkb h LEU 101 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fkb h LEU 101 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fkb h LEU 101 CO -0.04 0.13 -0.07 0.00 0.09 0.00 0.00 178.44 178.55 3fkb n ALA 102 N -2.24 2.63 -1.98 1.53 0.00 -0.37 -4.93 120.51 115.15 3fkb n ALA 102 Ca -0.01 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.38 3fkb n ALA 102 Cb 0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.07 7.58 0.40 0.00 0.01 -0.82 -4.87 113.70 113.93 3fkb s SER 103 Ca 0.28 1.88 -0.25 0.00 1.31 0.00 0.00 55.95 59.17 3fkb s SER 103 Cb 0.20 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 3fkb s SER 103 CO 0.34 0.06 1.18 0.00 0.41 0.00 0.00 173.24 175.23 3fkb s ALA 104 N -0.67 3.15 0.43 1.44 0.00 -1.26 -4.30 121.76 120.54 3fkb s ALA 104 Ca 0.43 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 3fkb s ALA 104 Cb -0.25 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 3fkb s ALA 104 CO 0.31 -0.55 1.46 -1.25 0.00 0.00 0.00 175.76 175.73 3fkb s PRO 105 N -2.32 3.80 0.00 0.00 0.04 -1.26 -1.55 135.00 133.71 3fkb s PRO 105 Ca 0.57 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3fkb s PRO 105 Cb -0.31 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3fkb s PRO 105 CO 0.39 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.09 3fkb n GLY 106 N 0.53 1.56 3.91 0.56 0.00 -1.26 -4.97 105.19 105.51 3fkb n GLY 106 Ca 0.04 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 6.11 0.08 1.61 1.04 -0.59 -4.92 113.70 116.85 3fkb s SER 107 Ca 0.00 0.86 -0.25 0.00 0.48 0.00 0.00 55.95 57.04 3fkb s SER 107 Cb 0.00 -2.11 -0.16 0.00 0.10 0.00 0.00 66.02 63.85 3fkb s SER 107 CO 0.00 -0.68 1.67 0.40 0.98 0.00 0.00 173.24 175.60 3fkb h ILE 108 N 0.15 0.87 -0.14 -1.02 2.04 -1.03 0.11 117.51 118.48 3fkb h ILE 108 Ca -0.47 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 3fkb h ILE 108 Cb 1.22 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3fkb h ILE 108 CO 0.61 0.02 -0.45 0.03 0.00 0.00 0.00 178.15 178.36 3fkb h ARG 109 N -0.25 0.34 -0.40 2.37 3.08 -1.25 -1.13 114.38 117.14 3fkb h ARG 109 Ca -0.02 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 3fkb h ARG 109 Cb 0.20 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3fkb h ARG 109 CO 0.03 0.73 0.04 0.78 -1.07 0.00 0.00 179.97 180.49 3fkb h GLY 110 N 1.22 0.66 1.28 0.04 0.00 -1.65 -0.35 103.07 104.27 3fkb h GLY 110 Ca 0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 3fkb h GLY 110 CO 0.07 0.36 -1.25 -0.55 0.00 0.00 0.00 176.54 175.17 3fkb h ASP 111 N 0.59 0.00 0.00 0.19 3.32 -0.75 -3.42 116.42 116.35 3fkb h ASP 111 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fkb h ASP 111 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3fkb h ASP 111 CO 0.01 0.68 0.00 0.49 -1.72 0.00 0.00 179.24 178.70 3fkb n PHE 112 N -3.03 0.00 -4.36 4.55 3.72 -0.45 -5.08 117.46 112.82 3fkb n PHE 112 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 3fkb n PHE 112 Cb 0.87 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.78 1.74 0.00 1.37 0.00 -0.15 -5.03 107.32 104.48 3fkb s GLY 113 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.99 3fkb s GLY 113 CO 0.00 -1.80 0.00 3.33 0.00 0.00 0.00 173.10 174.63 3fkb n VAL 114 N -0.78 0.00 -4.87 1.40 0.24 -1.26 -4.22 118.33 108.84 3fkb n VAL 114 Ca -0.06 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.34 61.92 3fkb n VAL 114 Cb 0.59 0.76 -0.16 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.20 2.21 0.30 -1.34 -1.08 -1.26 -4.52 116.67 110.79 3fkb s ASP 115 Ca 0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 52.55 51.68 3fkb s ASP 115 Cb 0.00 -0.54 0.54 0.00 -1.46 0.00 0.00 42.92 41.47 3fkb s ASP 115 CO 0.00 0.17 1.91 0.58 0.52 0.00 0.00 175.17 178.36 3fkb h VAL 116 N 5.12 1.06 0.00 1.11 2.07 -1.97 -1.48 116.25 122.17 3fkb h VAL 116 Ca -0.34 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3fkb h VAL 116 Cb 1.17 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3fkb h VAL 116 CO 0.48 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.86 3fkb n GLY 117 N -1.40 -1.38 2.41 2.17 0.00 -1.26 -3.69 105.19 102.04 3fkb n GLY 117 Ca 0.14 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.47 1.78 -0.38 1.61 5.12 -0.57 -4.93 116.66 117.83 3fkb n ARG 118 Ca 0.07 -3.98 0.05 0.00 -1.93 0.00 0.00 57.85 52.06 3fkb n ARG 118 Cb 0.30 -1.82 0.20 0.00 -1.16 0.00 0.00 32.46 29.98 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 3.02 0.00 0.55 0.23 -1.17 -4.31 115.26 114.20 3fkb n ASN 119 Ca 0.26 -2.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 3fkb n ASN 119 Cb 0.50 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 0.47 0.00 -3.78 1.53 5.41 -1.26 -4.76 119.36 116.98 3fkb n ILE 120 Ca 0.14 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.77 3fkb n ILE 120 Cb 0.60 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.07 -0.02 1.39 2.07 -1.26 -1.11 121.20 122.34 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 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.85 3fkb s ILE 121 CO 0.00 -0.34 -0.01 -0.83 -1.91 0.00 0.00 174.94 171.85 3fkb s GLY 122 N -1.69 0.20 0.29 1.50 0.00 -0.78 -4.96 107.32 101.88 3fkb s GLY 122 Ca -0.10 0.04 0.11 0.00 0.00 0.00 0.00 44.72 44.78 3fkb s GLY 122 CO 0.00 0.30 -0.12 -0.32 0.00 0.00 0.00 173.10 172.96 3fkb s GLY 123 N 0.56 1.90 0.39 0.20 0.00 -1.26 -1.60 107.32 107.50 3fkb s GLY 123 Ca -0.06 -1.87 -0.27 0.00 0.00 0.00 0.00 44.72 42.53 3fkb s GLY 123 CO -0.01 -1.91 1.43 1.44 0.00 0.00 0.00 173.10 174.05 3fkb n SER 124 N -0.74 3.45 -0.12 1.64 7.64 -0.76 -4.91 113.62 119.82 3fkb n SER 124 Ca -0.05 1.19 0.13 0.00 1.01 0.00 0.00 58.87 61.15 3fkb n SER 124 Cb 0.60 -1.59 0.36 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.32 0.69 -3.75 6.43 5.75 -1.26 -4.81 116.55 119.92 3fkb n ASP 125 Ca 0.03 -0.52 -0.06 0.00 -0.01 0.00 0.00 54.79 54.23 3fkb n ASP 125 Cb 0.39 0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 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 -2.73 -0.27 0.21 -1.12 1.04 -1.26 -4.96 113.70 104.61 3fkb s SER 126 Ca 0.19 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 3fkb s SER 126 Cb 0.19 0.61 0.14 0.00 0.10 0.00 0.00 66.02 67.06 3fkb s SER 126 CO 0.59 -1.11 1.76 0.58 0.98 0.00 0.00 173.24 176.04 3fkb h VAL 127 N 2.00 1.26 -0.05 5.02 2.07 -1.92 0.10 116.25 124.74 3fkb h VAL 127 Ca -0.23 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3fkb h VAL 127 Cb 1.25 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3fkb h VAL 127 CO 0.26 0.34 -0.07 -0.08 0.02 0.00 0.00 177.57 178.04 3fkb h GLU 128 N 1.11 -0.11 -0.45 1.57 4.57 -1.97 -1.15 114.58 118.15 3fkb h GLU 128 Ca 0.25 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 3fkb h GLU 128 Cb 0.25 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3fkb h GLU 128 CO -0.02 -0.07 -0.13 0.77 -1.18 0.00 0.00 179.01 178.39 3fkb h SER 129 N -0.11 0.82 -0.40 1.04 0.02 -1.89 -2.69 113.55 110.33 3fkb h SER 129 Ca 0.05 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3fkb h SER 129 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3fkb h SER 129 CO -0.11 0.96 0.24 0.00 -1.14 0.00 0.00 176.83 176.77 3fkb h ALA 130 N 1.11 0.51 -0.34 3.77 0.00 -0.44 0.16 119.26 124.03 3fkb h ALA 130 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3fkb h ALA 130 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fkb h ALA 130 CO 0.04 0.01 -0.05 -0.91 0.00 0.00 0.00 179.25 178.34 3fkb h ASN 131 N 0.52 0.52 -0.20 0.00 2.35 -1.15 0.96 115.58 118.59 3fkb h ASN 131 Ca 0.14 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3fkb h ASN 131 Cb 0.01 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3fkb h ASN 131 CO -0.03 0.63 -0.23 -0.09 -1.65 0.00 0.00 177.43 176.06 3fkb h ARG 132 N 0.52 0.51 -0.48 0.81 2.43 -1.11 -2.78 114.38 114.29 3fkb h ARG 132 Ca 0.10 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.86 3fkb h ARG 132 Cb 0.41 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3fkb h ARG 132 CO 0.02 0.87 -0.21 0.93 -1.51 0.00 0.00 179.97 180.07 3fkb h GLU 133 N 0.19 0.97 -0.67 0.20 5.08 -0.43 -1.97 114.58 117.95 3fkb h GLU 133 Ca 0.03 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3fkb h GLU 133 Cb 0.79 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3fkb h GLU 133 CO 0.06 1.08 0.35 0.82 -1.00 0.00 0.00 179.01 180.32 3fkb h ILE 134 N 0.84 1.21 0.00 3.13 2.04 -0.85 -0.82 117.51 123.07 3fkb h ILE 134 Ca 0.11 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 3fkb h ILE 134 Cb 0.78 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3fkb h ILE 134 CO 0.06 0.24 -0.44 0.00 0.00 0.00 0.00 178.15 178.01 3fkb h ALA 135 N 1.17 1.20 -0.07 1.87 0.00 -1.39 -0.46 119.26 121.58 3fkb h ALA 135 Ca 0.23 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 3fkb h ALA 135 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fkb h ALA 135 CO -0.04 0.56 -0.71 1.25 0.00 0.00 0.00 179.25 180.31 3fkb h LEU 136 N 0.00 0.75 0.00 0.00 5.85 -0.81 -3.37 115.31 117.73 3fkb h LEU 136 Ca -0.00 -0.69 -0.17 0.00 0.84 0.00 0.00 57.88 57.86 3fkb h LEU 136 Cb 0.82 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3fkb h LEU 136 CO 0.06 1.32 -1.45 0.79 -0.34 0.00 0.00 178.44 178.82 3fkb n TRP 137 N -4.07 0.94 -4.55 1.25 7.02 -0.36 -4.95 117.44 112.70 3fkb n TRP 137 Ca -0.09 0.31 -0.25 0.00 -1.02 0.00 0.00 57.50 56.45 3fkb n TRP 137 Cb 0.72 -1.07 -0.14 0.00 -2.42 0.00 0.00 31.31 28.40 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 -2.93 1.74 0.31 -5.99 0.40 -0.19 -5.09 117.98 106.23 3fkb s PHE 138 Ca -0.03 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 3fkb s PHE 138 Cb 0.09 -1.02 -0.09 0.00 0.51 0.00 0.00 43.02 42.50 3fkb s PHE 138 CO 0.81 0.10 0.75 0.15 0.70 0.00 0.00 175.22 177.73 3fkb s LYS 139 N -1.29 4.06 0.36 0.44 1.02 -1.26 -4.49 119.74 118.58 3fkb s LYS 139 Ca 0.07 0.73 0.13 0.00 0.02 0.00 0.00 55.97 56.92 3fkb s LYS 139 Cb -0.09 -2.48 0.96 0.00 -0.52 0.00 0.00 37.83 35.69 3fkb s LYS 139 CO 0.02 0.18 1.79 -1.35 -0.92 0.00 0.00 175.35 175.07 3fkb h PRO 140 N 2.41 0.52 0.00 -1.68 0.11 -1.94 0.06 132.00 131.48 3fkb h PRO 140 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fkb h PRO 140 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fkb h PRO 140 CO 0.65 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 3fkb n GLU 141 N -4.67 0.02 0.00 1.05 0.28 -1.26 -2.07 120.64 113.99 3fkb n GLU 141 Ca 0.23 0.27 0.13 0.00 -0.16 0.00 0.00 57.16 57.63 3fkb n GLU 141 Cb 0.72 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.39 3fkb n GLU 141 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3fkb n GLU 142 N -1.48 1.95 -4.65 3.44 1.02 0.01 -4.89 120.64 116.03 3fkb n GLU 142 Ca 0.03 -1.43 -0.33 0.00 -0.02 0.00 0.00 57.16 55.41 3fkb n GLU 142 Cb 0.15 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.03 3.02 0.50 -4.62 1.43 -0.88 -4.52 118.68 111.57 3fkb s LEU 143 Ca 0.32 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 3fkb s LEU 143 Cb 0.20 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 3fkb s LEU 143 CO 0.33 0.27 1.32 -0.76 0.23 0.00 0.00 176.35 177.74 3fkb s LEU 144 N -0.28 3.97 -0.02 1.79 1.43 -0.23 -4.92 118.68 120.42 3fkb s LEU 144 Ca 0.03 2.67 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 3fkb s LEU 144 Cb -0.13 -4.18 -0.11 0.00 0.03 0.00 0.00 46.19 41.80 3fkb s LEU 144 CO 0.03 -1.29 0.15 0.35 0.23 0.00 0.00 176.35 175.82 3fkb n THR 145 N -0.66 0.05 -3.56 5.49 -2.24 -1.26 -4.87 114.28 107.23 3fkb n THR 145 Ca 0.08 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 3fkb n THR 145 Cb 0.45 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.49 2.76 -0.11 -0.78 2.12 -1.26 -5.06 118.70 113.87 3fkb s GLU 146 Ca -0.03 -1.29 0.02 0.00 0.36 0.00 0.00 54.97 54.04 3fkb s GLU 146 Cb 0.05 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 3fkb s GLU 146 CO 0.31 -0.87 -0.20 0.08 -0.54 0.00 0.00 175.26 174.05 3fkb s VAL 147 N 1.52 2.42 -0.46 3.70 1.01 -1.26 -5.07 120.40 122.26 3fkb s VAL 147 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3fkb s VAL 147 Cb -0.22 -1.96 0.16 0.00 0.00 0.00 0.00 36.38 34.36 3fkb s VAL 147 CO 0.05 0.55 0.32 -0.75 0.00 0.00 0.00 175.10 175.27 3fkb s LYS 148 N 0.34 1.21 1.05 2.72 2.20 -1.26 -5.13 119.74 120.87 3fkb s LYS 148 Ca -0.16 -2.18 -0.12 0.00 -0.36 0.00 0.00 55.97 53.16 3fkb s LYS 148 Cb -0.17 -1.96 0.22 0.00 -1.51 0.00 0.00 37.83 34.41 3fkb s LYS 148 CO 0.08 -1.29 1.08 -2.14 -0.36 0.00 0.00 175.35 172.71 3fkb s PRO 149 N 0.02 -0.06 0.26 4.03 0.02 -1.26 -4.88 135.00 133.14 3fkb s PRO 149 Ca 0.26 1.09 -0.31 0.00 0.02 0.00 0.00 61.00 62.06 3fkb s PRO 149 Cb -0.08 -1.64 -0.13 0.00 0.02 0.00 0.00 34.50 32.67 3fkb s PRO 149 CO -0.11 -3.22 1.46 -1.71 -0.33 0.00 0.00 177.00 173.09 3fkb n ASN 150 N -4.59 3.11 0.00 2.53 5.15 -1.26 -4.83 115.26 115.37 3fkb n ASN 150 Ca 0.06 1.15 0.06 0.00 -0.60 0.00 0.00 54.58 55.25 3fkb n ASN 150 Cb 0.54 -1.48 0.29 0.00 -0.53 0.00 0.00 39.78 38.59 3fkb n ASN 150 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fkb n PRO 151 N 2.00 0.16 -0.26 1.20 -0.04 -1.26 -2.38 135.00 134.41 3fkb n PRO 151 Ca 0.10 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3fkb n PRO 151 Cb 0.33 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.54 3fkb n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fkb n ASN 152 N -1.30 3.51 -0.02 3.54 3.02 -1.26 -4.51 115.26 118.23 3fkb n ASN 152 Ca 0.05 -1.97 -0.16 0.00 -0.03 0.00 0.00 54.58 52.47 3fkb n ASN 152 Cb 0.10 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.30 1.93 -4.41 3.41 4.77 -1.00 -4.96 117.00 118.04 3fkb n LEU 153 Ca 0.19 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.10 3fkb n LEU 153 Cb 0.56 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 3fkb n LEU 153 CO 0.14 0.69 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.07 3fkb s TYR 154 N -2.57 2.54 -2.00 -1.77 2.02 -1.26 -5.13 117.35 109.19 3fkb s TYR 154 Ca -0.17 -0.28 0.32 0.00 -0.37 0.00 0.00 57.07 56.57 3fkb s TYR 154 Cb 0.07 -1.56 1.89 0.00 -0.40 0.00 0.00 41.96 41.97 3fkb s TYR 154 CO 0.78 0.11 2.21 -1.91 -1.57 0.00 0.00 175.55 175.17