#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fj0 h ALA 3 N 0.00 1.76 -0.48 -1.67 0.00 -1.84 -0.67 119.26 116.36 1fj0 h ALA 3 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1fj0 h ALA 3 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fj0 h ALA 3 CO 0.00 0.21 0.04 -0.22 0.00 0.00 0.00 179.25 179.28 1fj0 h LYS 4 N 0.35 0.82 -0.22 0.00 1.63 -1.95 -2.06 116.57 115.13 1fj0 h LYS 4 Ca 0.09 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 1fj0 h LYS 4 Cb 0.02 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1fj0 h LYS 4 CO -0.01 0.84 -0.11 0.00 -3.45 0.00 0.00 179.45 176.72 1fj0 h ALA 5 N 0.94 1.40 0.00 5.00 0.00 -1.80 -2.12 119.26 122.68 1fj0 h ALA 5 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fj0 h ALA 5 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fj0 h ALA 5 CO 0.02 0.41 -0.07 0.78 0.00 0.00 0.00 179.25 180.39 1fj0 h GLY 6 N 0.82 0.00 0.38 0.00 0.00 -0.46 -2.41 103.07 101.40 1fj0 h GLY 6 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.51 1fj0 h GLY 6 CO 0.02 0.00 0.42 0.83 0.00 0.00 0.00 176.54 177.81 1fj0 h GLU 7 N 0.00 0.64 -0.52 4.80 5.08 -0.82 0.12 114.58 123.89 1fj0 h GLU 7 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1fj0 h GLU 7 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1fj0 h GLU 7 CO 0.01 0.43 0.05 0.00 -1.00 0.00 0.00 179.01 178.49 1fj0 h ALA 8 N 1.49 0.70 -0.50 3.43 0.00 -1.58 -2.72 119.26 120.08 1fj0 h ALA 8 Ca 0.41 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1fj0 h ALA 8 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fj0 h ALA 8 CO -0.30 0.47 0.01 0.28 0.00 0.00 0.00 179.25 179.71 1fj0 h VAL 9 N 0.76 1.25 0.00 0.00 2.07 -1.45 -2.71 116.25 116.18 1fj0 h VAL 9 Ca 0.15 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1fj0 h VAL 9 Cb 0.46 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1fj0 h VAL 9 CO 0.02 0.36 -0.07 0.15 0.02 0.00 0.00 177.57 178.05 1fj0 h PHE 10 N 0.78 0.00 -0.80 1.57 3.57 -0.68 -1.30 116.94 120.08 1fj0 h PHE 10 Ca 0.15 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1fj0 h PHE 10 Cb 0.46 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1fj0 h PHE 10 CO 0.03 0.07 0.52 0.87 -2.23 0.00 0.00 178.31 177.57 1fj0 h LYS 11 N 0.00 0.75 -0.41 1.11 1.57 -1.27 -0.56 116.57 117.76 1fj0 h LYS 11 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1fj0 h LYS 11 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1fj0 h LYS 11 CO 0.01 0.50 0.07 1.96 -0.57 0.00 0.00 179.45 181.41 1fj0 h GLN 12 N 0.78 0.68 -0.13 3.15 4.20 -1.40 -2.83 115.11 119.55 1fj0 h GLN 12 Ca 0.36 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.91 1fj0 h GLN 12 Cb 0.38 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1fj0 h GLN 12 CO -0.14 0.73 0.09 0.00 -0.67 0.00 0.00 178.83 178.84 1fj0 n MET 14 N -4.51 0.07 -0.08 0.00 2.81 -0.34 -0.70 117.12 114.37 1fj0 n MET 14 Ca -0.00 0.42 0.04 0.00 -1.81 0.00 0.00 57.70 56.35 1fj0 n MET 14 Cb 0.15 -1.67 0.38 0.00 -0.71 0.00 0.00 33.22 31.37 1fj0 n MET 14 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1fj0 h THR 15 N 0.00 1.09 0.00 2.03 2.02 -1.39 -3.35 112.91 113.31 1fj0 h THR 15 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1fj0 h THR 15 Cb 0.17 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1fj0 h THR 15 CO 0.00 0.12 -0.37 0.00 0.37 0.00 0.00 175.52 175.64 1fj0 s HIS 17 N -1.11 2.08 0.28 0.00 3.76 0.13 -0.79 115.29 119.64 1fj0 s HIS 17 Ca 0.00 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1fj0 s HIS 17 Cb 0.00 -1.09 -0.06 0.00 1.11 0.00 0.00 32.58 32.55 1fj0 s HIS 17 CO 0.00 0.35 -0.04 1.03 -0.85 0.00 0.00 174.74 175.23 1fj0 s ARG 18 N -2.34 1.53 -0.02 1.40 1.81 -1.26 -4.07 118.95 115.99 1fj0 s ARG 18 Ca 0.14 -1.78 -0.23 0.00 -1.72 0.00 0.00 55.73 52.14 1fj0 s ARG 18 Cb -0.09 -1.05 -0.21 0.00 -0.45 0.00 0.00 34.95 33.16 1fj0 s ARG 18 CO 0.07 -0.00 1.14 0.00 -0.68 0.00 0.00 175.30 175.82 1fj0 h ALA 19 N 2.29 0.08 0.00 2.13 0.00 -1.94 -1.01 119.26 120.81 1fj0 h ALA 19 Ca -0.40 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1fj0 h ALA 19 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fj0 h ALA 19 CO 0.67 0.06 -1.23 -0.40 0.00 0.00 0.00 179.25 178.35 1fj0 n ASP 20 N -4.55 0.76 -4.14 0.00 5.68 -1.26 -0.49 116.55 112.55 1fj0 n ASP 20 Ca -0.09 -0.68 -0.12 0.00 -0.50 0.00 0.00 54.79 53.40 1fj0 n ASP 20 Cb 0.44 1.28 -0.11 0.00 -1.14 0.00 0.00 41.12 41.60 1fj0 n ASP 20 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1fj0 s LYS 21 N -3.03 0.75 0.45 0.11 -2.85 -1.26 -4.95 119.74 108.96 1fj0 s LYS 21 Ca 0.03 -1.12 -0.21 0.00 -1.00 0.00 0.00 55.97 53.66 1fj0 s LYS 21 Cb 0.14 -0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 35.51 1fj0 s LYS 21 CO 0.82 0.02 1.01 -0.80 0.10 0.00 0.00 175.35 176.51 1fj0 s ASN 22 N -2.47 6.62 0.00 0.03 0.01 -1.26 -3.78 114.94 114.08 1fj0 s ASN 22 Ca 0.04 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 1fj0 s ASN 22 Cb -0.01 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1fj0 s ASN 22 CO -0.02 -0.59 0.00 0.23 -1.51 0.00 0.00 177.10 175.21 1fj0 n MET 23 N -0.68 0.00 -0.17 -0.60 2.81 -1.26 -4.92 117.12 112.29 1fj0 n MET 23 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1fj0 n MET 23 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 1fj0 n MET 23 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1fj0 h VAL 24 N 0.00 1.26 -1.63 2.03 2.07 -1.83 -3.44 116.25 114.72 1fj0 h VAL 24 Ca 0.00 -1.09 -0.53 0.00 0.82 0.00 0.00 66.70 65.90 1fj0 h VAL 24 Cb 0.00 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1fj0 h VAL 24 CO 0.00 0.38 -0.45 -0.83 0.02 0.00 0.00 177.57 176.69 1fj0 s GLY 25 N -3.44 2.16 0.61 2.17 0.00 0.03 -5.05 107.32 103.81 1fj0 s GLY 25 Ca -0.12 -1.95 -0.18 0.00 0.00 0.00 0.00 44.72 42.47 1fj0 s GLY 25 CO 0.82 -1.78 1.16 2.56 0.00 0.00 0.00 173.10 175.86 1fj0 s PRO 26 N -3.99 2.95 0.31 2.90 0.04 -1.26 -4.63 135.00 131.32 1fj0 s PRO 26 Ca 0.43 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1fj0 s PRO 26 Cb -0.01 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 1fj0 s PRO 26 CO 0.25 -1.18 1.38 0.00 0.04 0.00 0.00 177.00 177.49 1fj0 n ALA 27 N -1.84 1.54 0.78 8.56 0.00 -1.25 -4.58 120.51 123.72 1fj0 n ALA 27 Ca 0.12 0.37 0.09 0.00 0.00 0.00 0.00 53.44 54.02 1fj0 n ALA 27 Cb 0.51 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1fj0 n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fj0 n LEU 28 N 1.25 1.79 -4.74 0.00 4.77 -0.38 -4.87 117.00 114.82 1fj0 n LEU 28 Ca 0.06 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 1fj0 n LEU 28 Cb 0.35 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1fj0 n LEU 28 CO 0.63 0.34 1.29 0.00 -1.33 0.00 0.00 177.39 178.31 1fj0 s ALA 29 N -2.00 3.82 -0.19 -1.18 0.00 0.36 -1.35 121.76 121.23 1fj0 s ALA 29 Ca 0.15 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1fj0 s ALA 29 Cb 0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1fj0 s ALA 29 CO 0.43 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1fj0 n GLY 30 N 3.00 0.52 0.22 0.00 0.00 0.14 -4.91 105.19 104.16 1fj0 n GLY 30 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1fj0 n GLY 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1fj0 h VAL 31 N 0.00 1.24 -2.91 1.61 3.04 -1.44 -3.32 116.25 114.48 1fj0 h VAL 31 Ca -0.04 -1.15 -0.56 0.00 -1.01 0.00 0.00 66.70 63.95 1fj0 h VAL 31 Cb 0.25 1.44 -0.05 0.00 -2.01 0.00 0.00 31.29 30.93 1fj0 h VAL 31 CO 0.05 0.35 1.15 -0.69 -1.01 0.00 0.00 177.57 177.42 1fj0 s VAL 32 N -4.44 3.72 0.00 1.51 1.01 -1.26 -1.44 120.40 119.50 1fj0 s VAL 32 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1fj0 s VAL 32 Cb 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1fj0 s VAL 32 CO 0.75 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1fj0 n GLY 33 N 5.26 1.03 3.77 4.51 0.00 0.63 -5.00 105.19 115.40 1fj0 n GLY 33 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1fj0 n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fj0 s ARG 34 N -0.77 3.68 0.19 1.61 3.52 -0.52 -4.82 118.95 121.84 1fj0 s ARG 34 Ca 0.00 -0.23 -0.33 0.00 -0.13 0.00 0.00 55.73 55.04 1fj0 s ARG 34 Cb 0.00 -3.21 -0.13 0.00 -1.56 0.00 0.00 34.95 30.05 1fj0 s ARG 34 CO 0.00 0.55 1.60 1.17 -0.81 0.00 0.00 175.30 177.80 1fj0 n LYS 35 N 2.70 2.31 -1.70 5.12 4.81 -1.26 -1.31 118.16 128.83 1fj0 n LYS 35 Ca -0.18 0.83 -0.38 0.00 -0.87 0.00 0.00 58.31 57.71 1fj0 n LYS 35 Cb 0.54 -2.61 0.05 0.00 0.02 0.00 0.00 35.03 33.03 1fj0 n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fj0 n ALA 36 N 3.33 1.00 -2.27 3.14 0.00 0.38 -3.17 120.51 122.91 1fj0 n ALA 36 Ca 0.16 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1fj0 n ALA 36 Cb 0.31 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1fj0 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fj0 n GLY 37 N 0.97 0.14 0.00 0.00 0.00 -1.26 -3.97 105.19 101.07 1fj0 n GLY 37 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1fj0 n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fj0 n THR 38 N -3.89 0.33 -1.67 2.61 -2.24 -1.19 -4.88 114.28 103.34 1fj0 n THR 38 Ca -0.07 -0.38 -0.46 0.00 -2.27 0.00 0.00 64.05 60.87 1fj0 n THR 38 Cb 0.56 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1fj0 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj0 n ALA 39 N -0.16 1.31 -1.76 6.98 0.00 -1.26 -4.85 120.51 120.77 1fj0 n ALA 39 Ca 0.00 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 1fj0 n ALA 39 Cb 0.33 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 1fj0 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fj0 s ALA 40 N 1.22 3.73 0.00 0.00 0.00 -1.26 -2.31 121.76 123.14 1fj0 s ALA 40 Ca 0.80 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.35 1fj0 s ALA 40 Cb -0.68 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1fj0 s ALA 40 CO 0.39 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1fj0 n GLY 41 N 1.95 2.46 3.81 0.00 0.00 -1.26 -4.92 105.19 107.24 1fj0 n GLY 41 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1fj0 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fj0 s PHE 42 N -2.66 3.64 -0.41 1.61 5.36 -0.98 -5.06 117.98 119.49 1fj0 s PHE 42 Ca 0.00 0.83 -0.17 0.00 -0.96 0.00 0.00 56.93 56.63 1fj0 s PHE 42 Cb 0.00 -2.26 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1fj0 s PHE 42 CO 0.00 0.54 0.45 0.99 -1.46 0.00 0.00 175.22 175.74 1fj0 s THR 43 N -0.64 5.08 0.50 0.12 2.01 -1.26 -4.86 115.64 116.59 1fj0 s THR 43 Ca 0.21 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1fj0 s THR 43 Cb -0.15 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1fj0 s THR 43 CO 0.10 -0.38 0.74 -0.31 -0.69 0.00 0.00 174.62 174.08 1fj0 s TYR 44 N 2.18 3.13 0.81 4.92 2.02 -1.26 -5.08 117.35 124.07 1fj0 s TYR 44 Ca 0.13 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.96 1fj0 s TYR 44 Cb -0.17 -2.50 0.08 0.00 -0.40 0.00 0.00 41.96 38.97 1fj0 s TYR 44 CO 0.14 -0.58 1.11 -1.54 -1.57 0.00 0.00 175.55 173.11 1fj0 s SER 45 N -4.29 4.09 0.24 2.29 1.04 -1.26 -4.80 113.70 111.00 1fj0 s SER 45 Ca 0.52 1.94 -0.06 0.00 0.48 0.00 0.00 55.95 58.83 1fj0 s SER 45 Cb -0.10 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.81 1fj0 s SER 45 CO 0.39 -2.32 1.85 -0.65 0.98 0.00 0.00 173.24 173.49 1fj0 h PRO 46 N -1.27 0.93 -0.08 4.02 0.11 -1.97 0.21 132.00 133.95 1fj0 h PRO 46 Ca -0.44 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1fj0 h PRO 46 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1fj0 h PRO 46 CO 0.49 0.62 -0.04 1.25 -0.21 0.00 0.00 178.00 180.10 1fj0 h LEU 47 N 0.96 -0.15 -0.19 2.35 5.85 -1.82 0.39 115.31 122.71 1fj0 h LEU 47 Ca 0.37 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 1fj0 h LEU 47 Cb 0.17 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1fj0 h LEU 47 CO -0.17 -0.06 -0.13 -1.13 -0.34 0.00 0.00 178.44 176.61 1fj0 h ASN 48 N -0.04 0.44 -0.29 1.25 -0.73 -1.84 -1.93 115.58 112.44 1fj0 h ASN 48 Ca 0.05 -0.44 0.06 0.00 1.87 0.00 0.00 56.30 57.84 1fj0 h ASN 48 Cb 0.11 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 38.53 1fj0 h ASN 48 CO -0.11 0.78 -0.08 -0.74 -0.37 0.00 0.00 177.43 176.91 1fj0 h HIS 49 N 0.09 -0.18 -0.27 0.67 2.76 -0.75 -1.86 115.15 115.61 1fj0 h HIS 49 Ca 0.04 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1fj0 h HIS 49 Cb 0.64 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 1fj0 h HIS 49 CO 0.07 -0.14 -0.10 -0.91 -1.30 0.00 0.00 177.93 175.56 1fj0 h ASN 50 N -0.01 0.43 -0.36 3.26 2.35 -0.22 -1.25 115.58 119.76 1fj0 h ASN 50 Ca 0.14 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1fj0 h ASN 50 Cb 0.23 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1fj0 h ASN 50 CO -0.30 0.57 0.20 0.28 -1.65 0.00 0.00 177.43 176.52 1fj0 h SER 51 N 0.42 0.45 -0.48 5.81 0.02 -0.57 -0.99 113.55 118.21 1fj0 h SER 51 Ca 0.08 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1fj0 h SER 51 Cb 0.43 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1fj0 h SER 51 CO 0.02 0.41 -0.07 1.23 -1.14 0.00 0.00 176.83 177.28 1fj0 h GLY 52 N 0.46 1.02 2.00 -3.77 0.00 -0.89 -1.73 103.07 100.15 1fj0 h GLY 52 Ca 0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1fj0 h GLY 52 CO -0.02 0.71 -0.15 0.83 0.00 0.00 0.00 176.54 177.90 1fj0 h GLU 53 N 0.85 0.00 -0.00 4.80 4.39 -0.95 0.16 114.58 123.83 1fj0 h GLU 53 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1fj0 h GLU 53 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1fj0 h GLU 53 CO 0.04 0.15 -0.01 0.00 -1.16 0.00 0.00 179.01 178.03 1fj0 n ALA 54 N -2.45 2.64 0.00 3.43 0.00 -0.40 -4.89 120.51 118.84 1fj0 n ALA 54 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1fj0 n ALA 54 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1fj0 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fj0 n GLY 55 N 1.10 0.92 3.66 0.00 0.00 0.04 -5.08 105.19 105.82 1fj0 n GLY 55 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1fj0 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fj0 s LEU 56 N 0.00 4.33 -0.10 0.99 2.96 -0.70 -4.95 118.68 121.20 1fj0 s LEU 56 Ca 0.00 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.21 1fj0 s LEU 56 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1fj0 s LEU 56 CO 0.00 -0.96 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.25 1fj0 s VAL 57 N 4.15 3.10 0.17 1.68 1.01 -1.26 -0.47 120.40 128.78 1fj0 s VAL 57 Ca 0.76 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1fj0 s VAL 57 Cb -0.35 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1fj0 s VAL 57 CO 0.32 0.55 1.08 0.26 0.00 0.00 0.00 175.10 177.30 1fj0 s TRP 58 N -0.01 3.63 0.32 5.22 0.52 -0.42 -4.90 118.94 123.30 1fj0 s TRP 58 Ca -0.03 1.63 0.04 0.00 0.02 0.00 0.00 56.10 57.76 1fj0 s TRP 58 Cb -0.14 -3.24 -0.06 0.00 -1.15 0.00 0.00 33.47 28.88 1fj0 s TRP 58 CO 0.04 -0.47 0.05 0.95 0.02 0.00 0.00 176.95 177.53 1fj0 s THR 59 N -0.19 1.24 0.52 2.01 -4.23 -1.26 -0.27 115.64 113.45 1fj0 s THR 59 Ca 0.49 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 59.18 1fj0 s THR 59 Cb -0.28 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.08 1fj0 s THR 59 CO 0.34 -0.04 2.15 0.00 -0.54 0.00 0.00 174.62 176.53 1fj0 h ALA 60 N 2.13 1.85 0.14 3.99 0.00 -1.95 -1.87 119.26 123.56 1fj0 h ALA 60 Ca -0.41 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 1fj0 h ALA 60 Cb 1.24 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1fj0 h ALA 60 CO 0.70 0.03 -1.04 -0.44 0.00 0.00 0.00 179.25 178.50 1fj0 h ASP 61 N 0.00 0.47 0.83 0.00 3.32 -2.00 -3.38 116.42 115.65 1fj0 h ASP 61 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1fj0 h ASP 61 Cb 0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1fj0 h ASP 61 CO 0.00 1.48 -0.41 -0.46 -1.72 0.00 0.00 179.24 178.14 1fj0 n ASN 62 N -4.04 0.52 0.14 6.45 0.23 -1.09 -3.42 115.26 114.05 1fj0 n ASN 62 Ca -0.17 0.11 -0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1fj0 n ASN 62 Cb 0.87 -0.02 0.25 0.00 -2.08 0.00 0.00 39.78 38.79 1fj0 n ASN 62 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1fj0 h ILE 63 N 0.00 1.35 0.30 1.53 2.04 -1.52 -2.78 117.51 118.42 1fj0 h ILE 63 Ca 0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1fj0 h ILE 63 Cb 0.62 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1fj0 h ILE 63 CO 0.00 0.48 -0.42 0.58 0.00 0.00 0.00 178.15 178.79 1fj0 h VAL 64 N 0.06 0.16 -0.26 1.67 2.07 -1.73 -0.85 116.25 117.37 1fj0 h VAL 64 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1fj0 h VAL 64 Cb 0.87 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1fj0 h VAL 64 CO 0.07 0.00 -0.17 1.55 0.02 0.00 0.00 177.57 179.04 1fj0 h PRO 65 N -0.77 0.44 -0.40 1.57 0.13 -1.74 -2.74 132.00 128.49 1fj0 h PRO 65 Ca -0.02 -0.14 0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1fj0 h PRO 65 Cb 0.72 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 1fj0 h PRO 65 CO -0.13 0.60 -0.06 -0.92 -0.23 0.00 0.00 178.00 177.26 1fj0 h TYR 66 N 0.41 -0.13 0.00 1.56 3.20 -1.16 -2.25 116.97 118.59 1fj0 h TYR 66 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1fj0 h TYR 66 Cb 0.53 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1fj0 h TYR 66 CO 0.02 -0.14 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.29 1fj0 h LEU 67 N 0.04 0.00 -0.77 2.82 3.38 -0.84 -1.13 115.31 118.81 1fj0 h LEU 67 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1fj0 h LEU 67 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1fj0 h LEU 67 CO -0.38 0.04 -0.49 0.00 0.09 0.00 0.00 178.44 177.69 1fj0 h ALA 68 N 1.96 0.95 -0.76 1.53 0.00 -1.44 0.17 119.26 121.66 1fj0 h ALA 68 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1fj0 h ALA 68 Cb 0.19 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.71 1fj0 h ALA 68 CO 0.01 0.66 -0.35 0.34 0.00 0.00 0.00 179.25 179.90 1fj0 s ASP 69 N -6.88 -1.17 0.20 0.00 -1.08 -0.81 -4.41 116.67 102.51 1fj0 s ASP 69 Ca -0.05 -0.64 -0.13 0.00 -0.52 0.00 0.00 52.55 51.21 1fj0 s ASP 69 Cb 0.13 1.50 0.22 0.00 -1.46 0.00 0.00 42.92 43.31 1fj0 s ASP 69 CO 0.79 -0.12 1.67 -0.65 0.52 0.00 0.00 175.17 177.37 1fj0 h PRO 70 N 6.43 0.08 -0.42 4.34 0.11 -1.47 -1.20 132.00 139.87 1fj0 h PRO 70 Ca 0.02 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1fj0 h PRO 70 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1fj0 h PRO 70 CO 0.04 0.05 0.23 -0.91 -0.21 0.00 0.00 178.00 177.21 1fj0 h ASN 71 N 0.08 0.52 -0.55 -2.05 2.35 -1.92 -2.09 115.58 111.92 1fj0 h ASN 71 Ca 0.28 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1fj0 h ASN 71 Cb 0.43 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1fj0 h ASN 71 CO -0.49 0.45 0.27 0.00 -1.65 0.00 0.00 177.43 176.01 1fj0 h ALA 72 N 1.09 0.71 0.19 -0.83 0.00 -1.84 -0.75 119.26 117.82 1fj0 h ALA 72 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fj0 h ALA 72 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1fj0 h ALA 72 CO -0.02 0.27 -0.14 0.35 0.00 0.00 0.00 179.25 179.71 1fj0 h PHE 73 N 0.74 -0.36 -0.52 0.00 3.57 -1.07 -0.83 116.94 118.48 1fj0 h PHE 73 Ca 0.19 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1fj0 h PHE 73 Cb 0.12 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1fj0 h PHE 73 CO -0.00 -0.22 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.69 1fj0 h LEU 74 N -0.33 0.97 -0.52 0.59 3.38 -1.26 -0.71 115.31 117.44 1fj0 h LEU 74 Ca -0.01 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1fj0 h LEU 74 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1fj0 h LEU 74 CO -0.00 1.08 0.02 0.11 0.09 0.00 0.00 178.44 179.73 1fj0 h LYS 75 N 0.87 0.90 -0.52 1.13 1.57 -1.10 -1.58 116.57 117.83 1fj0 h LYS 75 Ca 0.14 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1fj0 h LYS 75 Cb 0.65 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1fj0 h LYS 75 CO 0.05 0.92 0.15 -0.22 -0.57 0.00 0.00 179.45 179.77 1fj0 h LYS 76 N 0.77 0.82 0.07 3.15 3.64 -1.02 -0.64 116.57 123.36 1fj0 h LYS 76 Ca 0.15 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1fj0 h LYS 76 Cb 0.50 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1fj0 h LYS 76 CO 0.02 0.77 -0.18 0.35 -2.27 0.00 0.00 179.45 178.14 1fj0 h PHE 77 N 0.72 -0.47 -0.16 1.91 3.57 -0.93 0.43 116.94 122.01 1fj0 h PHE 77 Ca 0.17 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1fj0 h PHE 77 Cb 0.30 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1fj0 h PHE 77 CO 0.02 -0.26 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.40 1fj0 h LEU 78 N -0.33 0.36 -0.62 0.59 3.38 -1.20 -2.49 115.31 115.00 1fj0 h LEU 78 Ca 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1fj0 h LEU 78 Cb 0.36 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1fj0 h LEU 78 CO -0.12 0.70 0.23 0.74 0.09 0.00 0.00 178.44 180.09 1fj0 h THR 79 N 0.29 1.24 0.00 0.22 2.02 -0.77 0.35 112.91 116.26 1fj0 h THR 79 Ca 0.03 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1fj0 h THR 79 Cb 0.79 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1fj0 h THR 79 CO 0.06 0.30 -0.16 -0.33 0.37 0.00 0.00 175.52 175.76 1fj0 h GLU 80 N 0.88 0.00 -0.00 6.66 5.08 -0.49 -1.71 114.58 125.00 1fj0 h GLU 80 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1fj0 h GLU 80 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1fj0 h GLU 80 CO -0.01 0.16 -0.02 1.63 -1.00 0.00 0.00 179.01 179.77 1fj0 n LYS 81 N -3.98 0.54 -1.94 2.33 4.76 -0.92 -4.88 118.16 114.07 1fj0 n LYS 81 Ca -0.02 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1fj0 n LYS 81 Cb 0.25 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1fj0 n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fj0 n GLY 82 N 1.25 0.39 2.20 0.72 0.00 -0.64 -4.96 105.19 104.14 1fj0 n GLY 82 Ca 0.15 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1fj0 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fj0 n LYS 83 N -1.08 2.38 0.07 1.61 5.02 0.07 -4.86 118.16 121.36 1fj0 n LYS 83 Ca 0.00 -3.65 0.09 0.00 -2.02 0.00 0.00 58.31 52.73 1fj0 n LYS 83 Cb 0.47 -1.76 0.54 0.00 -0.02 0.00 0.00 35.03 34.27 1fj0 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fj0 h ALA 84 N 2.16 1.97 0.00 7.82 0.00 -1.80 0.26 119.26 129.68 1fj0 h ALA 84 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fj0 h ALA 84 Cb 1.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1fj0 h ALA 84 CO 0.40 -0.02 -0.05 0.38 0.00 0.00 0.00 179.25 179.96 1fj0 h ASP 85 N 0.28 0.00 0.03 0.00 2.03 -1.92 -0.62 116.42 116.22 1fj0 h ASP 85 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1fj0 h ASP 85 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1fj0 h ASP 85 CO -0.03 0.05 -0.01 0.00 -1.03 0.00 0.00 179.24 178.22 1fj0 n GLN 86 N -3.25 1.26 -0.43 4.15 6.02 0.08 -3.89 117.38 121.32 1fj0 n GLN 86 Ca -0.01 -0.44 0.07 0.00 -0.01 0.00 0.00 57.00 56.61 1fj0 n GLN 86 Cb 0.24 -1.49 0.23 0.00 1.02 0.00 0.00 30.24 30.24 1fj0 n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fj0 n ALA 87 N -0.48 3.06 0.21 -1.58 0.00 -0.24 -4.60 120.51 116.88 1fj0 n ALA 87 Ca 0.21 -2.49 0.09 0.00 0.00 0.00 0.00 53.44 51.24 1fj0 n ALA 87 Cb 0.23 -0.66 0.40 0.00 0.00 0.00 0.00 19.45 19.42 1fj0 n ALA 87 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1fj0 h VAL 88 N 1.37 0.59 -4.19 0.00 -1.51 -1.67 -3.46 116.25 107.38 1fj0 h VAL 88 Ca 0.03 -1.26 -0.35 0.00 -1.23 0.00 0.00 66.70 63.89 1fj0 h VAL 88 Cb 1.40 1.85 0.11 0.00 -2.13 0.00 0.00 31.29 32.52 1fj0 h VAL 88 CO 0.21 0.25 0.22 0.61 -1.23 0.00 0.00 177.57 177.63 1fj0 n GLY 89 N 0.30 -0.48 3.54 5.19 0.00 -1.26 -5.11 105.19 107.37 1fj0 n GLY 89 Ca 0.00 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 1fj0 n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fj0 s VAL 90 N -2.90 2.60 0.60 1.61 -7.23 -1.26 -4.85 120.40 108.97 1fj0 s VAL 90 Ca 0.57 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1fj0 s VAL 90 Cb -0.02 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1fj0 s VAL 90 CO 0.39 -0.32 1.03 0.28 -0.31 0.00 0.00 175.10 176.17 1fj0 s THR 91 N -2.51 4.31 -0.13 5.32 -1.32 -1.26 -4.63 115.64 115.42 1fj0 s THR 91 Ca 0.32 0.92 0.27 0.00 -1.21 0.00 0.00 61.69 61.99 1fj0 s THR 91 Cb -0.03 -3.62 0.34 0.00 -1.51 0.00 0.00 72.50 67.69 1fj0 s THR 91 CO 0.17 -0.81 1.79 0.11 -2.21 0.00 0.00 174.62 173.66 1fj0 h LYS 92 N 0.11 0.00 -6.33 7.08 1.57 -1.98 -3.43 116.57 113.58 1fj0 h LYS 92 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1fj0 h LYS 92 Cb 1.20 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 1fj0 h LYS 92 CO 0.60 0.05 1.14 1.41 -0.57 0.00 0.00 179.45 182.08 1fj0 s MET 93 N -3.44 3.20 -1.10 3.15 1.75 -1.26 -4.93 119.30 116.67 1fj0 s MET 93 Ca 0.04 0.45 -0.05 0.00 -1.25 0.00 0.00 55.69 54.88 1fj0 s MET 93 Cb 0.07 -4.17 0.29 0.00 2.84 0.00 0.00 34.83 33.87 1fj0 s MET 93 CO 0.62 -2.07 1.48 0.25 -0.65 0.00 0.00 175.02 174.65 1fj0 n THR 94 N 6.89 5.19 -3.63 10.11 -2.24 -1.26 -4.89 114.28 124.45 1fj0 n THR 94 Ca 0.13 -5.76 -0.13 0.00 -2.27 0.00 0.00 64.05 56.02 1fj0 n THR 94 Cb 0.49 -2.15 -0.07 0.00 -2.10 0.00 0.00 70.33 66.51 1fj0 n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1fj0 s PHE 95 N -2.38 -0.78 0.06 4.78 2.19 -1.26 -5.16 117.98 115.44 1fj0 s PHE 95 Ca 0.32 1.88 0.04 0.00 0.33 0.00 0.00 56.93 59.50 1fj0 s PHE 95 Cb 0.04 0.29 -0.03 0.00 -1.31 0.00 0.00 43.02 42.01 1fj0 s PHE 95 CO 0.08 -0.37 -0.12 0.15 1.83 0.00 0.00 175.22 176.78 1fj0 s LYS 96 N 0.41 0.74 -0.27 10.12 1.02 -1.26 -4.68 119.74 125.82 1fj0 s LYS 96 Ca -0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1fj0 s LYS 96 Cb -0.05 -0.68 0.08 0.00 -0.52 0.00 0.00 37.83 36.65 1fj0 s LYS 96 CO -0.00 0.15 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.40 1fj0 s LEU 97 N -1.68 2.93 0.12 3.17 2.96 0.05 -5.01 118.68 121.21 1fj0 s LEU 97 Ca -0.04 -1.46 -0.13 0.00 -0.22 0.00 0.00 54.13 52.29 1fj0 s LEU 97 Cb -0.10 -1.20 -0.09 0.00 0.50 0.00 0.00 46.19 45.30 1fj0 s LEU 97 CO 0.02 -0.30 1.41 0.00 -1.32 0.00 0.00 176.35 176.16 1fj0 h ALA 98 N 7.91 0.45 -2.29 5.97 0.00 -1.85 -3.33 119.26 126.13 1fj0 h ALA 98 Ca -0.14 -0.48 -0.55 0.00 0.00 0.00 0.00 54.91 53.74 1fj0 h ALA 98 Cb 1.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1fj0 h ALA 98 CO 0.44 0.60 0.99 1.21 0.00 0.00 0.00 179.25 182.49 1fj0 s ASN 99 N -6.81 6.75 0.16 0.00 3.84 -1.26 -4.92 114.94 112.71 1fj0 s ASN 99 Ca -0.11 2.13 -0.12 0.00 0.21 0.00 0.00 52.86 54.97 1fj0 s ASN 99 Cb 0.10 -2.54 0.05 0.00 -0.55 0.00 0.00 41.25 38.31 1fj0 s ASN 99 CO 0.87 -0.84 1.68 -0.08 -2.79 0.00 0.00 177.10 175.94 1fj0 h GLU 100 N 8.79 0.88 -0.76 0.43 4.81 -1.99 -1.68 114.58 125.05 1fj0 h GLU 100 Ca -0.37 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1fj0 h GLU 100 Cb 1.17 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1fj0 h GLU 100 CO 0.94 0.81 0.31 0.37 -0.73 0.00 0.00 179.01 180.71 1fj0 h GLN 101 N 0.79 1.14 -0.59 1.92 5.75 -1.99 -0.14 115.11 121.99 1fj0 h GLN 101 Ca 0.18 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1fj0 h GLN 101 Cb 0.31 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1fj0 h GLN 101 CO -0.00 0.92 0.13 1.96 -2.65 0.00 0.00 178.83 179.19 1fj0 h GLN 102 N 1.10 0.92 -0.40 1.69 4.20 -1.89 -0.22 115.11 120.50 1fj0 h GLN 102 Ca 0.26 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1fj0 h GLN 102 Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1fj0 h GLN 102 CO -0.02 0.83 0.08 0.00 -0.67 0.00 0.00 178.83 179.04 1fj0 h ARG 103 N 0.88 0.66 -0.74 1.46 3.08 -0.80 0.50 114.38 119.42 1fj0 h ARG 103 Ca 0.19 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1fj0 h ARG 103 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1fj0 h ARG 103 CO 0.00 0.70 0.29 0.87 -1.07 0.00 0.00 179.97 180.76 1fj0 h LYS 104 N 0.52 1.11 -0.23 0.04 1.57 -0.68 -1.73 116.57 117.17 1fj0 h LYS 104 Ca 0.12 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1fj0 h LYS 104 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1fj0 h LYS 104 CO 0.01 0.91 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.22 1fj0 h ASP 105 N 1.07 0.52 0.28 0.86 3.32 -0.83 -1.89 116.42 119.74 1fj0 h ASP 105 Ca 0.25 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 1fj0 h ASP 105 Cb 0.22 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1fj0 h ASP 105 CO -0.02 0.83 -0.36 1.62 -1.72 0.00 0.00 179.24 179.59 1fj0 h VAL 106 N 0.20 1.28 -0.31 -1.35 3.04 -0.76 -1.62 116.25 116.73 1fj0 h VAL 106 Ca 0.05 -1.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.30 1fj0 h VAL 106 Cb 0.65 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1fj0 h VAL 106 CO 0.04 0.39 -0.24 0.58 -1.01 0.00 0.00 177.57 177.33 1fj0 h VAL 107 N 0.11 1.27 -0.68 1.51 2.07 -1.22 0.17 116.25 119.46 1fj0 h VAL 107 Ca 0.01 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1fj0 h VAL 107 Cb 0.69 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1fj0 h VAL 107 CO 0.05 0.42 0.18 0.00 0.02 0.00 0.00 177.57 178.24 1fj0 h ALA 108 N 1.22 1.02 -0.35 1.67 0.00 -0.78 -0.75 119.26 121.28 1fj0 h ALA 108 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1fj0 h ALA 108 Cb 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fj0 h ALA 108 CO 0.05 0.64 0.17 -0.92 0.00 0.00 0.00 179.25 179.20 1fj0 h TYR 109 N 1.03 0.50 -0.85 0.00 3.20 -0.74 -2.91 116.97 117.19 1fj0 h TYR 109 Ca 0.22 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1fj0 h TYR 109 Cb 0.34 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1fj0 h TYR 109 CO 0.03 0.42 0.56 -0.07 -1.64 0.00 0.00 178.16 177.45 1fj0 h LEU 110 N 0.43 0.82 -2.13 2.82 3.38 -0.22 -1.40 115.31 119.00 1fj0 h LEU 110 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1fj0 h LEU 110 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1fj0 h LEU 110 CO -0.02 0.52 -0.07 0.00 0.09 0.00 0.00 178.44 178.97 1fj0 h ALA 111 N 1.54 1.23 -0.00 1.53 0.00 -0.97 -0.41 119.26 122.19 1fj0 h ALA 111 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1fj0 h ALA 111 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fj0 h ALA 111 CO -0.14 0.08 -0.24 0.25 0.00 0.00 0.00 179.25 179.21 1fj0 n THR 112 N -3.50 0.00 -2.74 0.00 -2.24 -0.54 -4.57 114.28 100.69 1fj0 n THR 112 Ca -0.02 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1fj0 n THR 112 Cb 0.19 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1fj0 n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fj0 s LEU 113 N -2.98 4.33 0.00 3.22 1.43 -0.17 -5.05 118.68 119.46 1fj0 s LEU 113 Ca 0.13 -2.41 0.21 0.00 -1.03 0.00 0.00 54.13 51.03 1fj0 s LEU 113 Cb 0.18 -2.50 1.27 0.00 0.03 0.00 0.00 46.19 45.17 1fj0 s LEU 113 CO 0.61 -1.08 1.65 0.29 0.23 0.00 0.00 176.35 178.05