#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 -1.05 -1.34 3.02 -1.26 -3.02 115.26 111.60 3fkb n ASN 7 Ca 0.00 -0.99 0.10 0.00 -0.03 0.00 0.00 54.58 53.65 3fkb n ASN 7 Cb 0.00 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.91 2.63 -1.70 3.52 4.01 -1.26 -3.66 118.16 120.80 3fkb n LYS 8 Ca 0.17 -2.34 -0.38 0.00 -0.51 0.00 0.00 58.31 55.25 3fkb n LYS 8 Cb 0.08 -1.45 0.06 0.00 -0.51 0.00 0.00 35.03 33.20 3fkb n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3fkb n GLU 9 N 1.22 1.21 -4.14 1.97 2.13 -1.17 -4.70 120.64 117.17 3fkb n GLU 9 Ca 0.19 0.46 -0.15 0.00 0.66 0.00 0.00 57.16 58.32 3fkb n GLU 9 Cb 0.54 -2.44 -0.11 0.00 0.27 0.00 0.00 31.44 29.70 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 -3.05 0.75 0.05 5.31 0.52 -1.26 -1.16 118.95 120.10 3fkb s ARG 10 Ca 0.78 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 3fkb s ARG 10 Cb -0.40 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 3fkb s ARG 10 CO 0.45 0.11 -0.04 -0.08 0.02 0.00 0.00 175.30 175.75 3fkb s THR 11 N -1.73 0.30 -0.18 0.02 -1.32 -0.71 -4.72 115.64 107.31 3fkb s THR 11 Ca -0.01 -1.45 -0.08 0.00 -1.21 0.00 0.00 61.69 58.93 3fkb s THR 11 Cb -0.07 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 3fkb s THR 11 CO 0.01 -0.74 0.08 0.12 -2.21 0.00 0.00 174.62 171.88 3fkb s PHE 12 N -2.77 3.31 -0.02 9.09 5.36 -1.26 -2.24 117.98 129.46 3fkb s PHE 12 Ca -0.02 0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.17 3fkb s PHE 12 Cb -0.00 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 3fkb s PHE 12 CO -0.05 0.25 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.33 3fkb s LEU 13 N 0.18 1.97 -0.10 6.12 1.43 -0.16 -1.57 118.68 126.55 3fkb s LEU 13 Ca 0.06 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3fkb s LEU 13 Cb -0.12 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.46 3fkb s LEU 13 CO -0.00 0.14 -0.04 0.00 0.23 0.00 0.00 176.35 176.68 3fkb s ALA 14 N -0.19 1.07 -0.43 4.21 0.00 -0.60 -0.06 121.76 125.76 3fkb s ALA 14 Ca 0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 3fkb s ALA 14 Cb -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3fkb s ALA 14 CO -0.00 -0.47 1.10 0.08 0.00 0.00 0.00 175.76 176.47 3fkb s VAL 15 N 1.82 4.32 1.00 0.00 1.01 -0.18 -1.95 120.40 126.42 3fkb s VAL 15 Ca 0.05 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 3fkb s VAL 15 Cb -0.13 -4.53 0.19 0.00 0.00 0.00 0.00 36.38 31.91 3fkb s VAL 15 CO -0.07 -0.83 1.10 -0.54 0.00 0.00 0.00 175.10 174.75 3fkb s LYS 16 N 4.15 0.39 0.37 2.72 1.02 -0.06 -1.86 119.74 126.48 3fkb s LYS 16 Ca 0.46 0.47 0.18 0.00 0.02 0.00 0.00 55.97 57.09 3fkb s LYS 16 Cb -0.09 -1.74 1.12 0.00 -0.52 0.00 0.00 37.83 36.61 3fkb s LYS 16 CO 0.26 -2.74 1.70 -1.35 -0.92 0.00 0.00 175.35 172.29 3fkb h PRO 17 N -1.90 0.33 -0.12 -1.68 0.11 -1.86 0.74 132.00 127.63 3fkb h PRO 17 Ca -0.55 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.37 3fkb h PRO 17 Cb 1.33 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3fkb h PRO 17 CO 0.58 0.22 -0.65 0.38 -0.21 0.00 0.00 178.00 178.32 3fkb h ASP 18 N 0.34 0.53 -0.56 -2.05 -0.00 -1.88 -0.80 116.42 112.01 3fkb h ASP 18 Ca 0.70 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.03 57.32 3fkb h ASP 18 Cb 1.72 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 40.88 3fkb h ASP 18 CO -0.47 1.04 -0.01 1.23 -0.00 0.00 0.00 179.24 181.04 3fkb h GLY 19 N 1.18 1.08 0.72 7.15 0.00 -1.02 -1.67 103.07 110.50 3fkb h GLY 19 Ca -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 3fkb h GLY 19 CO 0.12 0.73 -0.07 -2.08 0.00 0.00 0.00 176.54 175.24 3fkb h VAL 20 N 0.88 1.33 -0.07 4.60 2.07 -1.22 -1.80 116.25 122.04 3fkb h VAL 20 Ca 0.16 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3fkb h VAL 20 Cb 0.55 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3fkb h VAL 20 CO 0.03 0.32 0.03 0.00 0.02 0.00 0.00 177.57 177.98 3fkb h ALA 21 N 0.64 1.94 -0.29 1.67 0.00 -1.09 -1.70 119.26 120.43 3fkb h ALA 21 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fkb h ALA 21 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fkb h ALA 21 CO 0.02 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3fkb n ARG 22 N -4.52 1.80 -3.27 0.00 1.74 -0.64 -4.94 116.66 106.84 3fkb n ARG 22 Ca -0.02 -1.24 -0.17 0.00 -0.77 0.00 0.00 57.85 55.66 3fkb n ARG 22 Cb 0.09 -1.33 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.11 -0.20 0.70 -0.13 0.00 -0.64 -4.95 105.19 101.07 3fkb n GLY 23 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.81 2.93 0.12 0.99 4.77 -0.69 -4.68 117.00 116.63 3fkb n LEU 24 Ca -0.08 -1.88 -0.14 0.00 -0.03 0.00 0.00 56.01 53.89 3fkb n LEU 24 Cb 0.58 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3fkb n LEU 24 CO 0.50 0.72 0.77 0.58 -1.33 0.00 0.00 177.39 178.62 3fkb h VAL 25 N 2.32 0.85 -0.44 4.08 2.07 -1.88 -1.99 116.25 121.25 3fkb h VAL 25 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3fkb h VAL 25 Cb 0.73 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3fkb h VAL 25 CO 0.00 0.03 0.23 1.23 0.02 0.00 0.00 177.57 179.08 3fkb h GLY 26 N -0.32 0.67 0.44 2.17 0.00 -1.97 -1.42 103.07 102.65 3fkb h GLY 26 Ca -0.03 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.06 3fkb h GLY 26 CO 0.04 0.30 0.14 -2.09 0.00 0.00 0.00 176.54 174.94 3fkb h GLU 27 N 0.58 0.29 -0.04 4.80 4.57 -1.84 -0.27 114.58 122.66 3fkb h GLU 27 Ca 0.15 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3fkb h GLU 27 Cb 0.09 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3fkb h GLU 27 CO -0.02 0.19 -0.01 0.82 -1.18 0.00 0.00 179.01 178.81 3fkb h ILE 28 N 0.29 1.28 -0.97 2.32 2.04 -1.14 -2.47 117.51 118.87 3fkb h ILE 28 Ca 0.24 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3fkb h ILE 28 Cb 0.30 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3fkb h ILE 28 CO -0.28 0.23 0.63 0.40 0.00 0.00 0.00 178.15 179.13 3fkb h ILE 29 N -0.27 1.15 -0.95 -0.67 2.04 -1.07 -2.03 117.51 115.70 3fkb h ILE 29 Ca 0.01 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fkb h ILE 29 Cb 0.38 -0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 3fkb h ILE 29 CO 0.00 0.22 0.62 0.00 0.00 0.00 0.00 178.15 179.00 3fkb h ALA 30 N 1.41 1.21 -0.75 1.87 0.00 -0.96 -0.69 119.26 121.34 3fkb h ALA 30 Ca 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3fkb h ALA 30 Cb 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3fkb h ALA 30 CO -0.13 0.61 0.50 0.00 0.00 0.00 0.00 179.25 180.22 3fkb h ARG 31 N 1.29 0.99 -0.08 0.00 3.08 -0.89 0.10 114.38 118.87 3fkb h ARG 31 Ca 0.35 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.18 3fkb h ARG 31 Cb -0.14 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 3fkb h ARG 31 CO -0.07 0.66 -0.64 1.88 -1.07 0.00 0.00 179.97 180.73 3fkb h TYR 32 N 1.02 0.42 -0.34 3.04 0.05 -1.20 -2.43 116.97 117.53 3fkb h TYR 32 Ca 0.28 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 3fkb h TYR 32 Cb -0.11 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3fkb h TYR 32 CO -0.02 0.87 -0.06 0.93 -1.05 0.00 0.00 178.16 178.83 3fkb h GLU 33 N 0.23 0.64 -0.25 4.88 5.08 -0.67 -2.66 114.58 121.84 3fkb h GLU 33 Ca -0.01 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3fkb h GLU 33 Cb 1.17 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3fkb h GLU 33 CO 0.10 0.80 0.03 0.87 -1.00 0.00 0.00 179.01 179.81 3fkb h LYS 34 N 0.43 0.36 0.00 2.33 1.57 -0.76 -2.00 116.57 118.50 3fkb h LYS 34 Ca 0.09 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3fkb h LYS 34 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fkb h LYS 34 CO 0.03 0.37 -0.27 -0.22 -0.57 0.00 0.00 179.45 178.79 3fkb h LYS 35 N 0.35 0.00 0.00 3.15 1.63 -1.26 -3.47 116.57 116.97 3fkb h LYS 35 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3fkb h LYS 35 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3fkb h LYS 35 CO 0.00 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 3fkb n GLY 36 N -0.56 0.90 3.78 5.01 0.00 -0.75 -5.10 105.19 108.47 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 3.39 -0.18 1.61 0.08 -1.02 -4.96 117.98 114.89 3fkb s PHE 37 Ca 0.00 1.68 -0.09 0.00 0.12 0.00 0.00 56.93 58.64 3fkb s PHE 37 Cb 0.00 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.34 3fkb s PHE 37 CO 0.00 -0.39 0.12 0.08 -0.10 0.00 0.00 175.22 174.94 3fkb s VAL 38 N -1.66 5.36 -0.24 -0.44 1.01 -0.39 -4.40 120.40 119.64 3fkb s VAL 38 Ca 0.56 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 3fkb s VAL 38 Cb -0.21 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 3fkb s VAL 38 CO 0.26 0.48 1.23 -0.22 0.00 0.00 0.00 175.10 176.85 3fkb s LEU 39 N 0.05 4.03 0.00 3.92 2.96 -1.26 -0.25 118.68 128.13 3fkb s LEU 39 Ca 0.09 1.40 0.09 0.00 -0.22 0.00 0.00 54.13 55.49 3fkb s LEU 39 Cb -0.11 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3fkb s LEU 39 CO -0.00 -0.88 0.58 1.33 -1.32 0.00 0.00 176.35 176.06 3fkb n VAL 40 N 5.73 0.00 -3.63 1.68 0.24 0.48 -4.94 118.33 117.89 3fkb n VAL 40 Ca 0.14 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 3fkb n VAL 40 Cb 0.46 1.10 -0.07 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 -1.31 -0.53 -0.27 7.63 0.00 -1.13 -1.04 107.32 110.66 3fkb s GLY 41 Ca 0.07 2.12 -0.22 0.00 0.00 0.00 0.00 44.72 46.69 3fkb s GLY 41 CO 0.24 1.84 0.72 -2.27 0.00 0.00 0.00 173.10 173.63 3fkb s LEU 42 N 0.54 -0.81 -0.24 0.66 2.96 -1.26 -1.25 118.68 119.28 3fkb s LEU 42 Ca -0.01 1.46 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 3fkb s LEU 42 Cb -0.05 2.43 0.16 0.00 0.50 0.00 0.00 46.19 49.22 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 0.83 0.33 -0.12 1.98 -2.85 -0.74 -5.02 119.74 114.15 3fkb s LYS 43 Ca -0.04 0.15 -0.05 0.00 -1.00 0.00 0.00 55.97 55.03 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 -0.07 -0.09 0.08 -1.14 0.10 0.00 0.00 175.35 174.23 3fkb s GLN 44 N -0.77 3.38 0.25 1.78 0.74 -1.26 -0.94 119.66 122.83 3fkb s GLN 44 Ca 0.04 -0.27 -0.19 0.00 0.05 0.00 0.00 55.36 54.98 3fkb s GLN 44 Cb -0.02 -3.05 0.02 0.00 1.10 0.00 0.00 33.01 31.06 3fkb s GLN 44 CO -0.05 0.66 0.63 -0.48 -0.55 0.00 0.00 175.29 175.50 3fkb s LEU 45 N -0.71 -0.14 -0.39 3.68 2.34 -0.35 -4.97 118.68 118.14 3fkb s LEU 45 Ca 0.12 -0.57 -0.05 0.00 0.06 0.00 0.00 54.13 53.69 3fkb s LEU 45 Cb -0.12 2.46 0.08 0.00 -0.56 0.00 0.00 46.19 48.05 3fkb s LEU 45 CO 0.03 -1.22 0.18 -0.69 -1.06 0.00 0.00 176.35 173.58 3fkb s VAL 46 N -3.91 3.61 0.41 1.48 1.01 -1.26 -0.28 120.40 121.46 3fkb s VAL 46 Ca 0.11 -1.62 -0.24 0.00 0.00 0.00 0.00 61.98 60.23 3fkb s VAL 46 Cb -0.04 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 3fkb s VAL 46 CO 0.03 -0.47 0.98 -2.65 0.00 0.00 0.00 175.10 172.99 3fkb n PRO 47 N 4.73 1.30 -2.76 2.72 -0.02 -1.26 -5.00 135.00 134.71 3fkb n PRO 47 Ca -0.08 0.47 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3fkb n PRO 47 Cb 0.43 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.27 3.95 0.23 3.45 -4.23 -1.26 -4.59 115.64 111.92 3fkb s THR 48 Ca 0.63 -0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.79 3fkb s THR 48 Cb -0.57 -3.50 0.22 0.00 1.34 0.00 0.00 72.50 69.99 3fkb s THR 48 CO 0.57 -0.42 1.89 0.50 -0.54 0.00 0.00 174.62 176.63 3fkb h LYS 49 N 0.19 1.22 -0.57 3.99 3.64 -1.94 -1.95 116.57 121.14 3fkb h LYS 49 Ca -0.46 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 58.74 3fkb h LYS 49 Cb 1.25 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3fkb h LYS 49 CO 0.59 0.83 0.03 0.38 -2.27 0.00 0.00 179.45 179.01 3fkb h ASP 50 N 1.25 0.93 -0.35 4.20 2.03 -1.99 0.17 116.42 122.66 3fkb h ASP 50 Ca 0.33 -0.24 -0.03 0.00 -0.73 0.00 0.00 57.03 56.36 3fkb h ASP 50 Cb -0.09 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.15 3fkb h ASP 50 CO -0.07 0.97 0.08 0.25 -1.03 0.00 0.00 179.24 179.45 3fkb h LEU 51 N 0.90 0.53 -0.33 0.15 5.85 -1.89 -1.60 115.31 118.92 3fkb h LEU 51 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3fkb h LEU 51 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3fkb h LEU 51 CO 0.02 0.63 0.17 0.00 -0.34 0.00 0.00 178.44 178.91 3fkb h ALA 52 N 0.92 0.43 -0.34 1.25 0.00 -1.10 0.16 119.26 120.58 3fkb h ALA 52 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3fkb h ALA 52 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fkb h ALA 52 CO 0.00 -0.02 0.02 0.93 0.00 0.00 0.00 179.25 180.18 3fkb h GLU 53 N 0.40 0.52 -0.10 0.00 5.08 -0.88 -0.44 114.58 119.17 3fkb h GLU 53 Ca 0.11 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3fkb h GLU 53 Cb 0.10 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3fkb h GLU 53 CO -0.02 0.54 -0.50 1.03 -1.00 0.00 0.00 179.01 179.06 3fkb h SER 54 N 0.51 0.61 -0.66 1.42 0.87 -1.01 -1.47 113.55 113.82 3fkb h SER 54 Ca 0.11 -0.65 0.06 0.00 -1.23 0.00 0.00 61.79 60.08 3fkb h SER 54 Cb 0.30 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 3fkb h SER 54 CO 0.01 1.16 0.37 -0.74 -0.53 0.00 0.00 176.83 177.10 3fkb h HIS 55 N 0.10 0.68 -0.57 2.24 -0.00 -0.28 -2.48 115.15 114.85 3fkb h HIS 55 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3fkb h HIS 55 Cb 1.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.35 3fkb h HIS 55 CO 0.12 0.33 0.01 0.66 -0.00 0.00 0.00 177.93 179.04 3fkb n TYR 56 N -4.79 2.06 -0.42 5.26 4.01 -0.21 -4.68 117.16 118.39 3fkb n TYR 56 Ca 0.08 -0.72 0.35 0.00 -0.16 0.00 0.00 57.90 57.46 3fkb n TYR 56 Cb 0.17 -0.51 0.66 0.00 -0.31 0.00 0.00 39.34 39.35 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 3.93 2.86 0.00 -0.72 0.00 -0.77 0.95 119.26 125.51 3fkb h ALA 57 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fkb h ALA 57 Cb 1.96 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3fkb h ALA 57 CO 0.49 -1.36 -0.03 1.05 0.00 0.00 0.00 179.25 179.41 3fkb h GLU 58 N 0.13 0.00 -0.32 0.00 4.11 -1.85 -2.06 114.58 114.59 3fkb h GLU 58 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.15 3fkb h GLU 58 Cb 2.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.65 3fkb h GLU 58 CO -0.23 0.03 0.00 0.72 0.07 0.00 0.00 179.01 179.60 3fkb n HIS 59 N -3.41 0.91 0.19 2.06 8.25 0.33 -4.69 115.22 118.85 3fkb n HIS 59 Ca -0.02 -0.75 0.18 0.00 -0.26 0.00 0.00 57.72 56.87 3fkb n HIS 59 Cb 0.14 -0.24 0.81 0.00 1.12 0.00 0.00 29.99 31.81 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 2.11 0.00 0.00 -0.41 2.10 -1.39 -0.30 116.57 118.69 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 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3fkb h LYS 60 CO 0.18 0.00 -1.58 0.39 -2.00 0.00 0.00 179.45 176.44 3fkb n GLU 61 N -3.55 0.64 -1.94 0.07 -0.58 -1.26 -4.94 120.64 109.08 3fkb n GLU 61 Ca 0.03 -0.06 -0.36 0.00 -0.42 0.00 0.00 57.16 56.35 3fkb n GLU 61 Cb 0.45 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.71 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 -3.44 2.87 0.41 3.49 1.81 -0.12 -4.93 118.95 119.04 3fkb s ARG 62 Ca -0.05 1.90 0.16 0.00 -1.72 0.00 0.00 55.73 56.03 3fkb s ARG 62 Cb 0.12 -1.92 0.90 0.00 -0.45 0.00 0.00 34.95 33.60 3fkb s ARG 62 CO 0.86 -1.31 1.89 -1.00 -0.68 0.00 0.00 175.30 175.06 3fkb h PRO 63 N 0.82 0.00 -0.17 3.54 0.13 -1.93 -2.62 132.00 131.78 3fkb h PRO 63 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fkb h PRO 63 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3fkb h PRO 63 CO 0.55 0.29 0.00 1.97 -0.23 0.00 0.00 178.00 180.58 3fkb n PHE 64 N -4.00 0.22 0.37 1.56 1.16 -1.26 -4.27 117.46 111.24 3fkb n PHE 64 Ca -0.02 -0.11 -0.18 0.00 -1.87 0.00 0.00 57.45 55.27 3fkb n PHE 64 Cb 0.36 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.14 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 1.53 -0.84 -0.98 2.97 3.57 -1.67 -1.76 116.94 119.77 3fkb h PHE 65 Ca 0.00 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.70 3fkb h PHE 65 Cb 0.34 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 3fkb h PHE 65 CO 0.11 -0.52 0.62 0.78 -2.23 0.00 0.00 178.31 177.08 3fkb h GLY 66 N -0.91 1.30 1.03 2.40 0.00 -1.81 -0.76 103.07 104.32 3fkb h GLY 66 Ca -0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3fkb h GLY 66 CO 0.15 -0.06 -0.25 -1.33 0.00 0.00 0.00 176.54 175.05 3fkb h GLY 67 N 0.53 0.90 0.97 4.60 0.00 -1.75 -1.39 103.07 106.92 3fkb h GLY 67 Ca 0.55 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3fkb h GLY 67 CO -0.29 0.77 0.16 1.41 0.00 0.00 0.00 176.54 178.60 3fkb h LEU 68 N 0.62 0.33 -0.18 3.11 3.38 -0.27 -1.42 115.31 120.88 3fkb h LEU 68 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fkb h LEU 68 Cb 0.82 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3fkb h LEU 68 CO 0.07 0.29 0.08 0.58 0.09 0.00 0.00 178.44 179.56 3fkb h VAL 69 N 0.34 1.13 -0.84 1.22 2.07 -1.34 -1.84 116.25 116.99 3fkb h VAL 69 Ca 0.10 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3fkb h VAL 69 Cb 0.03 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3fkb h VAL 69 CO -0.02 0.13 0.56 0.28 0.02 0.00 0.00 177.57 178.53 3fkb h SER 70 N 0.16 0.96 -0.04 0.57 0.02 -1.13 -2.72 113.55 111.37 3fkb h SER 70 Ca 0.06 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3fkb h SER 70 Cb 0.12 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3fkb h SER 70 CO -0.01 0.70 -0.08 0.15 -1.14 0.00 0.00 176.83 176.45 3fkb h PHE 71 N 1.13 0.15 0.00 3.45 3.57 -1.16 -2.44 116.94 121.65 3fkb h PHE 71 Ca 0.31 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3fkb h PHE 71 Cb -0.13 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3fkb h PHE 71 CO -0.01 0.68 0.00 0.97 -2.23 0.00 0.00 178.31 177.72 3fkb h ILE 72 N -0.42 0.00 -0.19 1.41 2.10 -1.32 0.32 117.51 119.41 3fkb h ILE 72 Ca -0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3fkb h ILE 72 Cb 0.68 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3fkb h ILE 72 CO 0.02 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 3fkb n THR 73 N -2.39 0.33 0.67 2.19 -2.24 -1.03 -4.30 114.28 107.51 3fkb n THR 73 Ca -0.01 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3fkb n THR 73 Cb 0.10 1.07 0.41 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.01 0.72 -2.81 3.42 3.41 0.10 -4.80 113.62 114.67 3fkb n SER 74 Ca 0.13 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 59.24 3fkb n SER 74 Cb 0.46 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.33 0.79 3.76 5.00 0.00 -1.26 -5.10 105.19 109.70 3fkb n GLY 75 Ca 0.06 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.05 3.39 0.05 1.61 0.04 -1.26 -4.54 135.00 132.24 3fkb s PRO 76 Ca 0.18 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.46 3fkb s PRO 76 Cb -0.03 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3fkb s PRO 76 CO 0.05 -0.97 -0.15 0.08 0.04 0.00 0.00 177.00 176.05 3fkb s VAL 77 N -1.32 1.22 -0.36 -0.36 1.01 0.61 -3.74 120.40 117.46 3fkb s VAL 77 Ca 0.67 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3fkb s VAL 77 Cb -0.39 -1.11 0.07 0.00 0.00 0.00 0.00 36.38 34.94 3fkb s VAL 77 CO 0.47 -0.04 0.13 -0.69 0.00 0.00 0.00 175.10 174.97 3fkb s VAL 78 N -0.99 3.56 0.05 2.92 1.01 -0.78 -1.21 120.40 124.96 3fkb s VAL 78 Ca 0.02 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.34 3fkb s VAL 78 Cb -0.09 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 3fkb s VAL 78 CO 0.02 -0.34 0.59 0.00 0.00 0.00 0.00 175.10 175.36 3fkb s ALA 79 N 1.31 3.55 0.05 5.51 0.00 -0.12 -1.01 121.76 131.05 3fkb s ALA 79 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3fkb s ALA 79 Cb -0.21 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 3fkb s ALA 79 CO 0.00 0.31 0.07 -1.64 0.00 0.00 0.00 175.76 174.50 3fkb s MET 80 N -0.76 0.63 -0.08 0.00 -1.94 0.91 -1.79 119.30 116.27 3fkb s MET 80 Ca 0.30 -0.92 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 3fkb s MET 80 Cb -0.19 0.24 0.02 0.00 2.01 0.00 0.00 34.83 36.91 3fkb s MET 80 CO 0.19 -0.15 -0.05 0.08 -0.01 0.00 0.00 175.02 175.07 3fkb s VAL 81 N -3.18 0.73 0.00 -6.03 1.01 -0.38 -0.99 120.40 111.56 3fkb s VAL 81 Ca -0.00 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3fkb s VAL 81 Cb 0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3fkb s VAL 81 CO -0.07 0.30 -0.19 -0.36 0.00 0.00 0.00 175.10 174.78 3fkb s PHE 82 N 1.47 2.55 -0.02 5.22 0.08 -0.95 -0.39 117.98 125.94 3fkb s PHE 82 Ca -0.01 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.84 3fkb s PHE 82 Cb -0.13 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 3fkb s PHE 82 CO -0.04 0.17 -0.22 -2.00 -0.10 0.00 0.00 175.22 173.03 3fkb s GLU 83 N -1.06 2.21 0.00 0.44 2.12 0.65 -1.74 118.70 121.32 3fkb s GLU 83 Ca 0.13 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.58 3fkb s GLU 83 Cb -0.10 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3fkb s GLU 83 CO 0.02 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 3fkb n GLY 84 N 2.32 1.79 3.71 -1.50 0.00 -0.31 -1.27 105.19 109.94 3fkb n GLY 84 Ca -0.16 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3fkb n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fkb s LYS 85 N -2.00 4.18 -1.07 1.61 2.20 -1.24 -2.50 119.74 120.92 3fkb s LYS 85 Ca 0.00 2.46 -0.03 0.00 -0.36 0.00 0.00 55.97 58.05 3fkb s LYS 85 Cb 0.00 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3fkb s LYS 85 CO 0.00 -0.69 0.16 0.41 -0.36 0.00 0.00 175.35 174.87 3fkb n GLY 86 N 3.90 -0.50 0.27 5.54 0.00 -1.26 -4.85 105.19 108.29 3fkb n GLY 86 Ca 0.15 0.03 0.03 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 -0.32 1.13 0.67 1.61 3.04 -1.79 -1.58 116.25 119.01 3fkb h VAL 87 Ca -0.32 -0.48 -0.03 0.00 -1.01 0.00 0.00 66.70 64.86 3fkb h VAL 87 Cb 1.23 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 31.42 3fkb h VAL 87 CO 0.38 0.17 -0.33 0.58 -1.01 0.00 0.00 177.57 177.36 3fkb h VAL 88 N 0.34 0.33 -0.29 1.51 2.07 -1.86 0.80 116.25 119.16 3fkb h VAL 88 Ca 0.08 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 3fkb h VAL 88 Cb 0.17 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3fkb h VAL 88 CO -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.23 3fkb h ALA 89 N -0.58 0.84 -0.33 1.67 0.00 -1.87 -2.91 119.26 116.09 3fkb h ALA 89 Ca -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3fkb h ALA 89 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fkb h ALA 89 CO 0.15 0.64 0.11 1.03 0.00 0.00 0.00 179.25 181.18 3fkb h SER 90 N 0.54 0.48 -0.75 0.00 0.87 -1.22 -1.81 113.55 111.66 3fkb h SER 90 Ca 0.05 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3fkb h SER 90 Cb 0.87 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 3fkb h SER 90 CO 0.07 0.55 0.49 0.00 -0.53 0.00 0.00 176.83 177.42 3fkb h ALA 91 N 0.95 1.55 -0.48 6.23 0.00 -0.80 -0.49 119.26 126.22 3fkb h ALA 91 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3fkb h ALA 91 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fkb h ALA 91 CO -0.00 0.38 -0.17 0.00 0.00 0.00 0.00 179.25 179.45 3fkb h ARG 92 N 0.92 0.96 -0.72 0.00 2.47 -1.28 -2.18 114.38 114.55 3fkb h ARG 92 Ca 0.30 -0.39 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 3fkb h ARG 92 Cb 0.04 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3fkb h ARG 92 CO -0.08 1.06 0.23 1.25 0.56 0.00 0.00 179.97 182.98 3fkb h LEU 93 N 0.81 1.03 -1.48 3.04 5.85 -0.52 -1.55 115.31 122.48 3fkb h LEU 93 Ca 0.11 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3fkb h LEU 93 Cb 0.74 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3fkb h LEU 93 CO 0.06 0.95 -0.24 0.24 -0.34 0.00 0.00 178.44 179.11 3fkb h MET 94 N 1.06 0.00 0.21 1.25 2.86 -0.91 -3.06 114.93 116.34 3fkb h MET 94 Ca 0.23 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.59 3fkb h MET 94 Cb 0.29 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.98 3fkb h MET 94 CO -0.01 0.24 -1.24 0.82 1.06 0.00 0.00 176.91 177.78 3fkb h ILE 95 N 0.00 1.37 0.00 -1.22 2.04 -0.77 -1.01 117.51 117.91 3fkb h ILE 95 Ca -0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 3fkb h ILE 95 Cb 0.55 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 3fkb h ILE 95 CO 0.03 0.78 0.00 0.61 0.00 0.00 0.00 178.15 179.57 3fkb n GLY 96 N 1.70 0.25 3.85 5.37 0.00 -0.64 -0.98 105.19 114.74 3fkb n GLY 96 Ca -0.16 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 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 2.13 0.22 1.61 -7.23 -1.26 -4.69 120.40 111.18 3fkb s VAL 97 Ca 0.00 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 3fkb s VAL 97 Cb 0.00 -2.64 0.23 0.00 0.56 0.00 0.00 36.38 34.52 3fkb s VAL 97 CO 0.00 0.00 1.57 0.74 -0.31 0.00 0.00 175.10 177.10 3fkb h THR 98 N 1.03 0.10 -3.55 5.32 2.02 -1.98 -3.36 112.91 112.49 3fkb h THR 98 Ca -0.40 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.16 3fkb h THR 98 Cb 1.28 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 67.66 3fkb h THR 98 CO 0.61 0.00 0.13 0.21 0.37 0.00 0.00 175.52 176.84 3fkb s ASN 99 N -5.26 6.45 0.38 4.18 2.47 -1.26 -4.74 114.94 117.17 3fkb s ASN 99 Ca -0.14 0.28 0.10 0.00 0.42 0.00 0.00 52.86 53.52 3fkb s ASN 99 Cb 0.19 -2.32 0.86 0.00 -1.45 0.00 0.00 41.25 38.53 3fkb s ASN 99 CO 0.72 -0.52 1.93 -0.65 -3.72 0.00 0.00 177.10 174.85 3fkb h PRO 100 N 8.32 0.61 0.00 0.43 0.11 -1.85 -0.54 132.00 139.08 3fkb h PRO 100 Ca -0.27 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 3fkb h PRO 100 Cb 1.12 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3fkb h PRO 100 CO 0.81 0.40 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.83 3fkb h LEU 101 N 0.63 0.00 -0.33 2.35 3.38 -1.79 -2.10 115.31 117.45 3fkb h LEU 101 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3fkb h LEU 101 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3fkb h LEU 101 CO -0.13 0.10 -0.57 0.00 0.09 0.00 0.00 178.44 177.93 3fkb n ALA 102 N -2.24 3.77 -1.99 1.53 0.00 -0.26 -4.92 120.51 116.39 3fkb n ALA 102 Ca -0.02 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 3fkb n ALA 102 Cb 0.24 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.77 7.29 0.46 0.00 0.01 -0.79 -4.89 113.70 113.01 3fkb s SER 103 Ca 0.15 2.11 -0.23 0.00 1.31 0.00 0.00 55.95 59.29 3fkb s SER 103 Cb 0.18 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3fkb s SER 103 CO 0.68 -0.18 1.16 0.00 0.41 0.00 0.00 173.24 175.31 3fkb s ALA 104 N -0.46 2.97 0.49 1.44 0.00 -1.26 -4.29 121.76 120.65 3fkb s ALA 104 Ca 0.48 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 3fkb s ALA 104 Cb -0.29 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 3fkb s ALA 104 CO 0.36 -0.65 1.38 -1.25 0.00 0.00 0.00 175.76 175.60 3fkb s PRO 105 N -2.70 3.44 0.00 0.00 0.04 -1.26 -2.05 135.00 132.48 3fkb s PRO 105 Ca 0.63 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.98 3fkb s PRO 105 Cb -0.28 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3fkb s PRO 105 CO 0.35 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3fkb n GLY 106 N 0.65 1.64 3.91 0.56 0.00 -1.26 -4.96 105.19 105.72 3fkb n GLY 106 Ca 0.08 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.20 6.28 0.10 1.61 1.04 -0.87 -4.92 113.70 116.75 3fkb s SER 107 Ca 0.00 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 57.10 3fkb s SER 107 Cb 0.00 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.77 3fkb s SER 107 CO 0.00 -0.55 1.70 0.40 0.98 0.00 0.00 173.24 175.77 3fkb h ILE 108 N 0.31 0.79 -0.25 -1.02 2.04 -1.12 0.35 117.51 118.61 3fkb h ILE 108 Ca -0.47 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3fkb h ILE 108 Cb 1.20 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3fkb h ILE 108 CO 0.62 0.00 -0.37 0.03 0.00 0.00 0.00 178.15 178.43 3fkb h ARG 109 N -0.16 0.55 -0.24 2.37 3.08 -1.33 -0.72 114.38 117.93 3fkb h ARG 109 Ca 0.02 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3fkb h ARG 109 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3fkb h ARG 109 CO -0.07 0.84 -0.08 0.78 -1.07 0.00 0.00 179.97 180.37 3fkb h GLY 110 N 1.05 0.41 1.21 0.04 0.00 -1.64 0.11 103.07 104.26 3fkb h GLY 110 Ca 0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 3fkb h GLY 110 CO 0.07 0.23 -1.40 -0.55 0.00 0.00 0.00 176.54 174.89 3fkb h ASP 111 N 0.36 0.00 0.00 0.19 3.32 -0.70 -3.42 116.42 116.17 3fkb h ASP 111 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fkb h ASP 111 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3fkb h ASP 111 CO 0.02 0.81 -0.25 0.49 -1.72 0.00 0.00 179.24 178.58 3fkb n PHE 112 N -3.05 0.00 -4.23 4.55 3.72 -0.30 -5.07 117.46 113.09 3fkb n PHE 112 Ca -0.10 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.04 3fkb n PHE 112 Cb 0.93 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.40 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 -1.03 1.68 0.00 1.37 0.00 0.02 -5.02 107.32 104.34 3fkb s GLY 113 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 3fkb s GLY 113 CO 0.00 -1.48 0.00 3.33 0.00 0.00 0.00 173.10 174.95 3fkb n VAL 114 N -0.39 0.00 -4.39 1.40 0.24 -1.26 -4.18 118.33 109.75 3fkb n VAL 114 Ca -0.09 -0.10 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 3fkb n VAL 114 Cb 0.56 0.87 -0.15 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.27 1.19 0.43 -1.34 3.68 -1.26 -4.49 116.67 114.60 3fkb s ASP 115 Ca 0.00 -0.18 0.10 0.00 2.13 0.00 0.00 52.55 54.60 3fkb s ASP 115 Cb 0.00 -0.29 0.94 0.00 -1.45 0.00 0.00 42.92 42.12 3fkb s ASP 115 CO 0.00 0.07 2.04 0.58 0.13 0.00 0.00 175.17 177.99 3fkb h VAL 116 N 5.32 1.03 0.00 1.11 2.07 -1.97 -1.52 116.25 122.29 3fkb h VAL 116 Ca -0.33 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3fkb h VAL 116 Cb 1.17 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3fkb h VAL 116 CO 0.49 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3fkb n GLY 117 N -1.49 -1.56 2.49 2.17 0.00 -1.26 -3.62 105.19 101.91 3fkb n GLY 117 Ca 0.05 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.90 2.05 -0.35 1.61 5.12 -0.58 -4.93 116.66 117.67 3fkb n ARG 118 Ca 0.06 -4.16 0.04 0.00 -1.93 0.00 0.00 57.85 51.86 3fkb n ARG 118 Cb 0.37 -1.93 0.18 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.47 2.85 0.00 0.55 0.23 -1.15 -4.33 115.26 113.87 3fkb n ASN 119 Ca 0.27 -2.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 3fkb n ASN 119 Cb 0.49 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.36 0.00 -3.76 1.53 5.41 -1.26 -4.75 119.36 116.89 3fkb n ILE 120 Ca 0.13 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 3fkb n ILE 120 Cb 0.58 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.43 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 -0.01 1.39 2.07 -1.26 -0.88 121.20 122.58 3fkb s ILE 121 Ca 0.00 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3fkb s ILE 121 Cb 0.00 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.85 3fkb s ILE 121 CO 0.00 -0.31 -0.03 -0.83 -1.91 0.00 0.00 174.94 171.86 3fkb s GLY 122 N -1.63 0.22 0.28 1.50 0.00 -0.82 -4.95 107.32 101.92 3fkb s GLY 122 Ca -0.10 -0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.66 3fkb s GLY 122 CO 0.01 0.10 -0.17 -0.32 0.00 0.00 0.00 173.10 172.72 3fkb s GLY 123 N 0.27 1.86 0.37 0.20 0.00 -1.26 -1.55 107.32 107.20 3fkb s GLY 123 Ca -0.03 -1.88 -0.28 0.00 0.00 0.00 0.00 44.72 42.53 3fkb s GLY 123 CO -0.01 -1.94 1.43 1.44 0.00 0.00 0.00 173.10 174.02 3fkb n SER 124 N -0.61 3.48 -0.03 1.64 7.64 -0.61 -4.92 113.62 120.22 3fkb n SER 124 Ca -0.05 1.22 0.13 0.00 1.01 0.00 0.00 58.87 61.17 3fkb n SER 124 Cb 0.61 -1.58 0.38 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 0.57 0.43 -3.69 6.43 3.85 -1.26 -4.83 116.55 118.04 3fkb n ASP 125 Ca 0.02 -0.16 -0.08 0.00 -0.71 0.00 0.00 54.79 53.86 3fkb n ASP 125 Cb 0.38 0.04 -0.02 0.00 -1.35 0.00 0.00 41.12 40.17 3fkb n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3fkb s SER 126 N -2.91 -0.34 0.25 -1.12 1.04 -1.26 -4.93 113.70 104.42 3fkb s SER 126 Ca 0.14 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 3fkb s SER 126 Cb 0.18 0.63 0.27 0.00 0.10 0.00 0.00 66.02 67.20 3fkb s SER 126 CO 0.62 -1.12 1.86 0.58 0.98 0.00 0.00 173.24 176.17 3fkb h VAL 127 N 2.00 1.25 -0.06 5.02 2.07 -1.92 0.24 116.25 124.85 3fkb h VAL 127 Ca -0.24 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3fkb h VAL 127 Cb 1.26 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3fkb h VAL 127 CO 0.28 0.29 -0.02 -0.33 0.02 0.00 0.00 177.57 177.81 3fkb h GLU 128 N 1.16 -0.00 -0.63 1.57 3.07 -1.97 -0.50 114.58 117.28 3fkb h GLU 128 Ca 0.29 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 3fkb h GLU 128 Cb 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3fkb h GLU 128 CO -0.04 -0.00 0.05 0.77 -1.40 0.00 0.00 179.01 178.39 3fkb h SER 129 N -0.00 1.03 -0.12 1.42 0.02 -1.85 -2.67 113.55 111.38 3fkb h SER 129 Ca 0.03 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3fkb h SER 129 Cb 0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3fkb h SER 129 CO -0.07 1.05 0.07 0.00 -1.14 0.00 0.00 176.83 176.75 3fkb h ALA 130 N 1.06 0.15 -0.85 3.77 0.00 -0.16 0.16 119.26 123.39 3fkb h ALA 130 Ca 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fkb h ALA 130 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3fkb h ALA 130 CO 0.02 -0.38 0.52 -0.91 0.00 0.00 0.00 179.25 178.50 3fkb h ASN 131 N 0.14 1.02 -0.12 0.00 2.35 -1.02 0.57 115.58 118.52 3fkb h ASN 131 Ca 0.05 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3fkb h ASN 131 Cb -0.00 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 3fkb h ASN 131 CO -0.02 0.78 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.41 3fkb h ARG 132 N 1.17 0.24 -0.72 0.81 2.43 -1.10 -2.72 114.38 114.49 3fkb h ARG 132 Ca 0.31 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3fkb h ARG 132 Cb -0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3fkb h ARG 132 CO -0.06 0.55 0.23 0.93 -1.51 0.00 0.00 179.97 180.11 3fkb h GLU 133 N -0.08 1.10 -0.60 0.20 5.08 -0.38 -1.40 114.58 118.50 3fkb h GLU 133 Ca 0.03 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3fkb h GLU 133 Cb 0.46 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3fkb h GLU 133 CO 0.01 0.93 0.27 0.82 -1.00 0.00 0.00 179.01 180.05 3fkb h ILE 134 N 1.07 1.22 0.00 3.13 2.04 -0.89 -0.82 117.51 123.25 3fkb h ILE 134 Ca 0.23 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 3fkb h ILE 134 Cb 0.28 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3fkb h ILE 134 CO -0.01 0.25 -0.48 0.00 0.00 0.00 0.00 178.15 177.92 3fkb h ALA 135 N 1.11 1.13 -0.05 1.87 0.00 -1.28 -0.47 119.26 121.57 3fkb h ALA 135 Ca 0.20 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 3fkb h ALA 135 Cb 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fkb h ALA 135 CO -0.02 0.60 -0.50 1.25 0.00 0.00 0.00 179.25 180.57 3fkb h LEU 136 N 0.00 0.53 0.00 0.00 5.85 -0.83 -3.37 115.31 117.49 3fkb h LEU 136 Ca -0.00 -0.69 -0.23 0.00 0.84 0.00 0.00 57.88 57.80 3fkb h LEU 136 Cb 0.89 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3fkb h LEU 136 CO 0.06 1.15 -1.39 -0.50 -0.34 0.00 0.00 178.44 177.42 3fkb h TRP 137 N -0.04 0.00 -3.78 1.25 4.06 -1.16 -3.48 115.95 112.81 3fkb h TRP 137 Ca -0.05 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.22 3fkb h TRP 137 Cb 1.18 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 29.12 3fkb h TRP 137 CO 0.13 0.84 -0.86 -0.06 -3.56 0.00 0.00 178.44 174.93 3fkb s PHE 138 N -2.74 2.33 0.22 0.49 0.40 -0.19 -5.09 117.98 113.40 3fkb s PHE 138 Ca -0.02 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 3fkb s PHE 138 Cb 0.08 -1.24 -0.06 0.00 0.51 0.00 0.00 43.02 42.31 3fkb s PHE 138 CO 0.81 0.37 0.50 0.15 0.70 0.00 0.00 175.22 177.75 3fkb s LYS 139 N -2.16 3.69 0.29 0.44 1.02 -1.26 -4.52 119.74 117.25 3fkb s LYS 139 Ca 0.15 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.27 3fkb s LYS 139 Cb -0.10 -2.71 0.70 0.00 -0.52 0.00 0.00 37.83 35.21 3fkb s LYS 139 CO 0.07 0.33 1.75 -1.35 -0.92 0.00 0.00 175.35 175.23 3fkb h PRO 140 N 2.35 0.60 0.00 -1.68 0.11 -1.95 -0.16 132.00 131.27 3fkb h PRO 140 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fkb h PRO 140 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fkb h PRO 140 CO 0.69 0.40 0.00 0.39 -0.21 0.00 0.00 178.00 179.27 3fkb n GLU 141 N -4.87 0.02 -0.05 1.05 4.71 -1.26 -2.16 120.64 118.08 3fkb n GLU 141 Ca 0.22 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.76 3fkb n GLU 141 Cb 0.58 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.79 3fkb n GLU 141 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3fkb n GLU 142 N -1.47 2.08 -4.93 3.49 1.02 -0.07 -4.89 120.64 115.88 3fkb n GLU 142 Ca 0.04 -1.60 -0.33 0.00 -0.02 0.00 0.00 57.16 55.25 3fkb n GLU 142 Cb 0.15 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.84 2.57 0.59 -4.62 1.43 -0.92 -4.46 118.68 111.43 3fkb s LEU 143 Ca 0.34 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 3fkb s LEU 143 Cb 0.20 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3fkb s LEU 143 CO 0.31 0.23 1.30 -0.76 0.23 0.00 0.00 176.35 177.66 3fkb s LEU 144 N -0.07 3.72 -0.04 1.79 1.43 -0.21 -4.93 118.68 120.37 3fkb s LEU 144 Ca -0.03 2.63 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 3fkb s LEU 144 Cb -0.14 -4.46 -0.10 0.00 0.03 0.00 0.00 46.19 41.52 3fkb s LEU 144 CO 0.04 -1.72 0.09 0.35 0.23 0.00 0.00 176.35 175.34 3fkb n THR 145 N -1.44 0.27 -3.72 5.49 -2.24 -1.26 -4.91 114.28 106.47 3fkb n THR 145 Ca 0.13 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3fkb n THR 145 Cb 0.47 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 3fkb n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fkb s GLU 146 N -2.32 2.72 0.00 -0.78 0.41 -1.26 -4.99 118.70 112.48 3fkb s GLU 146 Ca -0.03 -1.12 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3fkb s GLU 146 Cb 0.03 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 3fkb s GLU 146 CO 0.30 -0.65 0.00 0.28 -0.49 0.00 0.00 175.26 174.70 3fkb n VAL 147 N 4.86 0.00 -2.93 2.63 0.31 -1.26 -5.08 118.33 116.85 3fkb n VAL 147 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 3fkb n VAL 147 Cb 0.45 -0.04 0.01 0.00 -0.91 0.00 0.00 33.84 33.35 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 0.00 -2.36 0.00 5.55 3.00 -1.26 -5.01 118.16 118.07 3fkb n LYS 148 Ca 0.00 2.05 0.00 0.00 -0.00 0.00 0.00 58.31 60.36 3fkb n LYS 148 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 35.03 31.00 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 0.61 0.00 -4.32 1.64 -0.04 -1.26 -5.02 135.00 126.61 3fkb n PRO 149 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 3fkb n PRO 149 Cb 0.27 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.60 3fkb n PRO 149 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fkb s ASN 150 N -2.07 2.77 0.05 3.54 0.02 -1.26 -4.99 114.94 112.99 3fkb s ASN 150 Ca 0.00 -0.72 0.25 0.00 -1.02 0.00 0.00 52.86 51.37 3fkb s ASN 150 Cb 0.00 -0.16 1.01 0.00 0.02 0.00 0.00 41.25 42.12 3fkb s ASN 150 CO 0.00 0.08 1.78 -0.81 0.02 0.00 0.00 177.10 178.17 3fkb n PRO 151 N 0.97 0.05 0.21 -0.60 -0.04 -1.26 -2.08 135.00 132.24 3fkb n PRO 151 Ca -0.19 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 3fkb n PRO 151 Cb 0.54 -1.57 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 3fkb n PRO 151 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3fkb h ASN 152 N 0.00 0.00 0.13 3.54 2.35 -2.01 -3.34 115.58 116.24 3fkb h ASN 152 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 3fkb h ASN 152 Cb 0.46 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 3fkb h ASN 152 CO 0.00 0.03 -2.18 0.18 -1.65 0.00 0.00 177.43 173.81 3fkb n LEU 153 N -3.07 1.91 -4.32 1.61 7.99 -0.89 -4.97 117.00 115.26 3fkb n LEU 153 Ca 0.04 0.09 -0.31 0.00 -0.01 0.00 0.00 56.01 55.82 3fkb n LEU 153 Cb 0.54 -0.50 -0.16 0.00 -0.11 0.00 0.00 43.42 43.20 3fkb n LEU 153 CO 0.35 0.73 -0.55 -0.31 -1.51 0.00 0.00 177.39 176.09 3fkb s TYR 154 N -2.54 2.40 -2.00 -1.77 2.02 -1.10 -5.07 117.35 109.29 3fkb s TYR 154 Ca -0.21 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3fkb s TYR 154 Cb 0.07 -1.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 3fkb s TYR 154 CO 0.74 -0.06 0.54 -1.91 -1.57 0.00 0.00 175.55 173.29