#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fj9 n PHE 1 N 0.00 1.38 -2.88 -1.40 7.35 -1.26 -5.02 117.46 115.64 3fj9 n PHE 1 Ca 0.00 -1.82 -0.42 0.00 -0.76 0.00 0.00 57.45 54.46 3fj9 n PHE 1 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 39.53 3fj9 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fj9 s ASN 2 N -3.37 6.92 0.02 -2.13 0.01 -1.26 -5.03 114.94 110.10 3fj9 s ASN 2 Ca 0.38 1.14 0.02 0.00 -0.71 0.00 0.00 52.86 53.68 3fj9 s ASN 2 Cb 0.37 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3fj9 s ASN 2 CO -0.04 -0.46 0.01 -0.76 -1.51 0.00 0.00 177.10 174.35 3fj9 s LEU 3 N 2.46 3.57 0.63 0.60 1.43 -1.26 -0.81 118.68 125.29 3fj9 s LEU 3 Ca 0.37 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3fj9 s LEU 3 Cb -0.16 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3fj9 s LEU 3 CO 0.10 0.26 1.03 -2.16 0.23 0.00 0.00 176.35 175.81 3fj9 s PRO 4 N -1.73 3.46 0.78 1.29 0.04 -1.26 -4.58 135.00 132.99 3fj9 s PRO 4 Ca 0.21 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 3fj9 s PRO 4 Cb -0.12 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3fj9 s PRO 4 CO 0.12 -0.68 1.14 -1.25 0.04 0.00 0.00 177.00 176.38 3fj9 s PRO 5 N -4.96 2.26 0.00 0.56 0.04 -1.26 -4.95 135.00 126.68 3fj9 s PRO 5 Ca 0.57 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3fj9 s PRO 5 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3fj9 s PRO 5 CO 0.51 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3fj9 n GLY 6 N -3.06 2.42 0.08 0.56 0.00 -1.26 -5.12 105.19 98.81 3fj9 n GLY 6 Ca 0.07 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 3fj9 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fj9 n ASN 7 N 0.00 1.87 -0.42 1.61 0.23 -1.26 -5.06 115.26 112.22 3fj9 n ASN 7 Ca 0.00 -1.04 0.06 0.00 -0.53 0.00 0.00 54.58 53.07 3fj9 n ASN 7 Cb 0.00 0.01 0.14 0.00 -2.08 0.00 0.00 39.78 37.85 3fj9 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fj9 n TYR 8 N -0.11 0.37 -0.32 -2.53 4.01 -1.26 -4.71 117.16 112.61 3fj9 n TYR 8 Ca -0.00 -0.71 0.07 0.00 -0.16 0.00 0.00 57.90 57.09 3fj9 n TYR 8 Cb 0.01 -0.14 0.22 0.00 -0.31 0.00 0.00 39.34 39.13 3fj9 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fj9 h LYS 9 N 1.01 0.74 -6.10 -0.72 1.57 -1.97 -3.44 116.57 107.66 3fj9 h LYS 9 Ca 0.00 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 58.14 3fj9 h LYS 9 Cb 0.92 -0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.92 3fj9 h LYS 9 CO 0.06 0.49 -0.74 0.15 -0.57 0.00 0.00 179.45 178.84 3fj9 s LYS 10 N -5.97 1.67 0.91 3.15 1.02 -1.26 -5.11 119.74 114.14 3fj9 s LYS 10 Ca -0.12 -1.78 -0.11 0.00 0.02 0.00 0.00 55.97 53.98 3fj9 s LYS 10 Cb 0.22 -1.69 0.14 0.00 -0.52 0.00 0.00 37.83 35.97 3fj9 s LYS 10 CO 0.79 0.29 1.09 -1.25 -0.92 0.00 0.00 175.35 175.35 3fj9 s PRO 11 N -3.54 1.13 0.28 -1.68 0.04 -1.26 -4.73 135.00 125.23 3fj9 s PRO 11 Ca 0.30 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 3fj9 s PRO 11 Cb -0.03 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.74 3fj9 s PRO 11 CO 0.14 -2.37 0.62 -1.59 0.04 0.00 0.00 177.00 173.84 3fj9 s LYS 12 N -4.84 1.73 0.06 4.56 0.00 0.80 -4.43 119.74 117.62 3fj9 s LYS 12 Ca 0.64 -1.16 0.02 0.00 0.00 0.00 0.00 55.97 55.48 3fj9 s LYS 12 Cb -0.19 0.55 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 3fj9 s LYS 12 CO 0.58 -0.77 0.08 -0.51 0.00 0.00 0.00 175.35 174.74 3fj9 s LEU 13 N -2.98 3.84 -0.36 2.77 1.43 0.10 -0.88 118.68 122.60 3fj9 s LEU 13 Ca 0.17 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3fj9 s LEU 13 Cb -0.04 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.80 3fj9 s LEU 13 CO 0.09 0.19 0.13 -0.76 0.23 0.00 0.00 176.35 176.23 3fj9 s LEU 14 N -2.26 4.68 -0.23 1.79 1.43 -1.26 -0.68 118.68 122.14 3fj9 s LEU 14 Ca 0.28 -1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 51.60 3fj9 s LEU 14 Cb -0.12 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3fj9 s LEU 14 CO 0.21 -0.42 0.50 -0.47 0.23 0.00 0.00 176.35 176.40 3fj9 s TYR 15 N 1.24 3.33 -0.26 0.29 5.04 -0.22 -1.24 117.35 125.52 3fj9 s TYR 15 Ca 0.02 0.69 -0.11 0.00 -2.44 0.00 0.00 57.07 55.24 3fj9 s TYR 15 Cb -0.21 -2.67 -0.05 0.00 0.35 0.00 0.00 41.96 39.37 3fj9 s TYR 15 CO -0.02 -0.17 0.17 0.00 -1.34 0.00 0.00 175.55 174.19 3fj9 h SER 17 N 7.97 0.00 -0.59 0.00 4.64 -1.80 -0.29 113.55 123.48 3fj9 h SER 17 Ca -0.36 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.08 3fj9 h SER 17 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 3fj9 h SER 17 CO 0.60 0.15 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.58 3fj9 h ASN 18 N 0.00 -0.28 0.00 4.97 -1.24 -1.83 -3.23 115.58 113.98 3fj9 h ASN 18 Ca -0.00 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3fj9 h ASN 18 Cb 0.55 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.86 3fj9 h ASN 18 CO 0.02 -0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.66 3fj9 n GLY 19 N -1.36 -0.28 1.78 1.57 0.00 -1.24 -4.64 105.19 101.02 3fj9 n GLY 19 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 3fj9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fj9 n GLY 20 N 0.04 0.75 3.60 -0.02 0.00 -0.16 -4.97 105.19 104.42 3fj9 n GLY 20 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 3fj9 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fj9 s HIS 21 N -3.01 2.77 0.03 1.61 3.76 -0.96 -4.60 115.29 114.89 3fj9 s HIS 21 Ca 0.07 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 3fj9 s HIS 21 Cb -0.03 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 3fj9 s HIS 21 CO 0.09 0.44 0.45 -0.06 -0.85 0.00 0.00 174.74 174.81 3fj9 s PHE 22 N -1.28 3.73 0.15 1.40 0.08 0.38 -0.40 117.98 122.04 3fj9 s PHE 22 Ca 0.22 1.04 -0.31 0.00 0.12 0.00 0.00 56.93 58.00 3fj9 s PHE 22 Cb -0.11 -2.33 -0.09 0.00 -0.57 0.00 0.00 43.02 39.93 3fj9 s PHE 22 CO 0.15 0.61 1.42 -1.17 -0.10 0.00 0.00 175.22 176.13 3fj9 s LEU 23 N -1.19 4.38 -0.01 -0.37 2.96 -0.37 -1.64 118.68 122.43 3fj9 s LEU 23 Ca 0.26 2.43 0.05 0.00 -0.22 0.00 0.00 54.13 56.65 3fj9 s LEU 23 Cb -0.17 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 3fj9 s LEU 23 CO 0.15 -0.68 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.75 3fj9 s ARG 24 N 0.81 1.25 -0.30 1.98 3.52 0.82 -4.43 118.95 122.61 3fj9 s ARG 24 Ca 0.64 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 3fj9 s ARG 24 Cb -0.39 -1.21 0.08 0.00 -1.56 0.00 0.00 34.95 31.87 3fj9 s ARG 24 CO 0.33 0.33 -0.03 0.42 -0.81 0.00 0.00 175.30 175.54 3fj9 s ILE 25 N -0.37 2.20 0.65 4.11 1.01 -0.96 -1.81 121.20 126.03 3fj9 s ILE 25 Ca 0.06 -1.98 -0.13 0.00 0.00 0.00 0.00 60.65 58.60 3fj9 s ILE 25 Cb -0.06 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 3fj9 s ILE 25 CO -0.01 -0.32 1.05 -0.76 0.00 0.00 0.00 174.94 174.91 3fj9 s LEU 26 N 1.01 3.30 0.42 2.97 1.43 0.07 -4.83 118.68 123.05 3fj9 s LEU 26 Ca 0.01 1.69 0.13 0.00 -1.03 0.00 0.00 54.13 54.93 3fj9 s LEU 26 Cb -0.19 -4.51 0.98 0.00 0.03 0.00 0.00 46.19 42.50 3fj9 s LEU 26 CO -0.07 -1.28 1.96 -0.65 0.23 0.00 0.00 176.35 176.53 3fj9 h PRO 27 N -0.19 0.46 0.00 1.29 0.11 -1.99 0.29 132.00 131.98 3fj9 h PRO 27 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fj9 h PRO 27 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fj9 h PRO 27 CO 0.57 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 3fj9 n ASP 28 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.67 3fj9 n ASP 28 Ca 0.11 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 3fj9 n ASP 28 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3fj9 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fj9 n GLY 29 N 0.48 0.81 3.82 6.12 0.00 0.10 -4.97 105.19 111.55 3fj9 n GLY 29 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3fj9 n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fj9 s THR 30 N -3.20 4.16 -0.10 2.61 -4.23 -1.25 -0.59 115.64 113.05 3fj9 s THR 30 Ca 0.00 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 61.60 3fj9 s THR 30 Cb 0.00 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.30 3fj9 s THR 30 CO 0.00 -0.57 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.63 3fj9 s VAL 31 N -2.50 1.69 0.00 2.29 1.01 -1.26 -0.75 120.40 120.88 3fj9 s VAL 31 Ca 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3fj9 s VAL 31 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3fj9 s VAL 31 CO 0.33 0.48 0.00 -0.90 0.00 0.00 0.00 175.10 175.00 3fj9 n ASP 32 N 3.83 0.00 -4.20 3.32 5.75 -0.75 -4.18 116.55 120.32 3fj9 n ASP 32 Ca -0.20 -0.34 -0.17 0.00 -0.01 0.00 0.00 54.79 54.08 3fj9 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3fj9 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fj9 s GLY 33 N -0.34 0.95 0.02 6.12 0.00 0.16 -0.12 107.32 114.11 3fj9 s GLY 33 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3fj9 s GLY 33 CO 0.00 -1.26 0.07 -1.08 0.00 0.00 0.00 173.10 170.83 3fj9 s THR 34 N -2.09 0.11 -0.81 0.90 -1.32 -0.65 -4.77 115.64 107.00 3fj9 s THR 34 Ca 0.05 -0.87 0.24 0.00 -1.21 0.00 0.00 61.69 59.91 3fj9 s THR 34 Cb -0.05 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.44 3fj9 s THR 34 CO 0.02 -0.48 1.28 0.54 -2.21 0.00 0.00 174.62 173.77 3fj9 n ARG 35 N 1.35 0.15 -2.21 7.08 1.74 -1.26 -0.47 116.66 123.03 3fj9 n ARG 35 Ca -0.22 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 3fj9 n ARG 35 Cb 0.56 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 3fj9 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fj9 s ASP 36 N -3.55 5.80 0.15 0.55 2.15 -1.26 -4.85 116.67 115.65 3fj9 s ASP 36 Ca 0.08 0.44 0.18 0.00 0.43 0.00 0.00 52.55 53.68 3fj9 s ASP 36 Cb 0.16 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 41.03 3fj9 s ASP 36 CO 0.74 -1.94 1.56 -1.14 -0.17 0.00 0.00 175.17 174.22 3fj9 n ARG 37 N 8.83 0.10 0.00 4.34 0.63 -1.26 -1.99 116.66 127.31 3fj9 n ARG 37 Ca 0.16 0.38 0.12 0.00 -0.92 0.00 0.00 57.85 57.60 3fj9 n ARG 37 Cb 0.50 -1.71 0.25 0.00 0.45 0.00 0.00 32.46 31.95 3fj9 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fj9 n SER 38 N -1.91 0.87 -4.62 6.15 3.41 -1.26 -4.94 113.62 111.31 3fj9 n SER 38 Ca 0.02 -0.67 -0.47 0.00 -0.26 0.00 0.00 58.87 57.49 3fj9 n SER 38 Cb 0.17 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3fj9 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fj9 n ASP 39 N -1.05 2.03 -0.08 4.04 -0.08 -0.84 -4.87 116.55 115.70 3fj9 n ASP 39 Ca 0.08 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.65 3fj9 n ASP 39 Cb 0.35 -1.32 0.69 0.00 2.34 0.00 0.00 41.12 43.19 3fj9 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fj9 n GLN 40 N 1.96 0.69 -0.51 -0.67 1.13 -1.26 -3.64 117.38 115.07 3fj9 n GLN 40 Ca 0.14 -0.16 0.08 0.00 -1.94 0.00 0.00 57.00 55.11 3fj9 n GLN 40 Cb 0.28 -1.50 0.29 0.00 0.11 0.00 0.00 30.24 29.42 3fj9 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fj9 n HIS 41 N -1.01 1.17 0.70 1.08 8.25 -1.26 -4.31 115.22 119.84 3fj9 n HIS 41 Ca 0.16 -0.75 0.08 0.00 -0.26 0.00 0.00 57.72 56.95 3fj9 n HIS 41 Cb 0.25 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3fj9 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fj9 n ILE 42 N 0.12 0.00 -2.49 1.59 -5.35 -1.24 -2.25 119.36 109.74 3fj9 n ILE 42 Ca 0.22 -0.28 -0.43 0.00 -0.27 0.00 0.00 62.75 61.99 3fj9 n ILE 42 Cb 0.88 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.89 3fj9 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fj9 s GLN 43 N -2.03 4.02 -0.03 6.28 1.11 -1.26 -4.50 119.66 123.24 3fj9 s GLN 43 Ca 0.11 1.26 0.07 0.00 0.01 0.00 0.00 55.36 56.80 3fj9 s GLN 43 Cb 0.12 -3.81 -0.02 0.00 -1.01 0.00 0.00 33.01 28.29 3fj9 s GLN 43 CO 0.46 -0.98 -0.22 -0.51 0.01 0.00 0.00 175.29 174.05 3fj9 s LEU 44 N 3.99 2.26 -0.27 2.90 1.43 -0.05 -2.05 118.68 126.89 3fj9 s LEU 44 Ca 0.52 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3fj9 s LEU 44 Cb -0.16 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3fj9 s LEU 44 CO 0.19 0.33 0.01 -1.58 0.23 0.00 0.00 176.35 175.52 3fj9 s GLN 45 N -0.66 2.89 0.31 1.70 2.00 0.12 -0.14 119.66 125.87 3fj9 s GLN 45 Ca 0.10 -0.96 -0.06 0.00 -2.00 0.00 0.00 55.36 52.44 3fj9 s GLN 45 Cb -0.10 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 3fj9 s GLN 45 CO -0.00 -0.45 0.59 -0.51 -0.50 0.00 0.00 175.29 174.42 3fj9 s LEU 46 N 1.39 4.02 -0.07 3.68 1.02 -1.26 -1.41 118.68 126.06 3fj9 s LEU 46 Ca 0.01 0.78 -0.12 0.00 0.02 0.00 0.00 54.13 54.82 3fj9 s LEU 46 Cb -0.17 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.45 3fj9 s LEU 46 CO -0.01 -0.23 0.30 -0.94 0.02 0.00 0.00 176.35 175.49 3fj9 s SER 47 N -3.15 -0.25 0.29 2.29 1.04 -0.95 -4.81 113.70 108.16 3fj9 s SER 47 Ca 0.45 0.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 3fj9 s SER 47 Cb -0.11 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 3fj9 s SER 47 CO 0.30 -0.27 0.58 0.00 0.98 0.00 0.00 173.24 174.83 3fj9 s ALA 48 N -0.57 3.58 0.00 5.32 0.00 -1.26 -0.49 121.76 128.35 3fj9 s ALA 48 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3fj9 s ALA 48 Cb -0.04 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3fj9 s ALA 48 CO 0.02 0.26 0.00 -1.91 0.00 0.00 0.00 175.76 174.13 3fj9 n GLU 49 N -0.83 0.00 -2.48 0.00 4.07 -0.56 -4.90 120.64 115.95 3fj9 n GLU 49 Ca -0.01 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.86 3fj9 n GLU 49 Cb 0.54 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.96 3fj9 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fj9 s SER 50 N 0.23 5.17 0.18 4.31 0.01 -1.26 -4.92 113.70 117.42 3fj9 s SER 50 Ca 0.00 0.25 -0.33 0.00 1.31 0.00 0.00 55.95 57.18 3fj9 s SER 50 Cb 0.00 -1.08 -0.14 0.00 0.21 0.00 0.00 66.02 65.01 3fj9 s SER 50 CO 0.00 -1.28 1.53 0.52 0.41 0.00 0.00 173.24 174.42 3fj9 n VAL 51 N -2.56 0.28 -0.96 3.43 0.31 -1.26 -1.04 118.33 116.53 3fj9 n VAL 51 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3fj9 n VAL 51 Cb 0.60 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3fj9 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fj9 n GLY 52 N 3.04 0.98 3.54 2.92 0.00 -1.26 -5.02 105.19 109.38 3fj9 n GLY 52 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3fj9 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fj9 s GLU 53 N -0.04 2.94 0.04 1.61 2.02 -0.21 -1.25 118.70 123.81 3fj9 s GLU 53 Ca 0.00 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 3fj9 s GLU 53 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 3fj9 s GLU 53 CO 0.00 0.55 -0.01 0.14 0.02 0.00 0.00 175.26 175.96 3fj9 s VAL 54 N -0.50 0.18 -0.01 2.63 -7.23 0.55 -1.49 120.40 114.54 3fj9 s VAL 54 Ca 0.07 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3fj9 s VAL 54 Cb -0.12 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 3fj9 s VAL 54 CO 0.02 -0.84 -0.00 -0.31 -0.31 0.00 0.00 175.10 173.66 3fj9 s TYR 55 N -3.25 3.07 -0.25 2.82 2.02 0.36 -1.08 117.35 121.04 3fj9 s TYR 55 Ca 0.01 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 3fj9 s TYR 55 Cb 0.03 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.97 3fj9 s TYR 55 CO -0.08 0.46 -0.11 0.42 -1.57 0.00 0.00 175.55 174.67 3fj9 s ILE 56 N -1.07 2.27 -0.05 2.71 1.01 -1.26 -2.24 121.20 122.57 3fj9 s ILE 56 Ca 0.19 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.37 3fj9 s ILE 56 Cb -0.11 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3fj9 s ILE 56 CO 0.10 0.04 -0.15 -0.75 0.00 0.00 0.00 174.94 174.17 3fj9 s LYS 57 N 1.15 2.50 -0.23 2.79 2.20 -0.50 -0.39 119.74 127.26 3fj9 s LYS 57 Ca -0.07 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.53 3fj9 s LYS 57 Cb -0.19 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 3fj9 s LYS 57 CO -0.06 0.60 1.31 0.45 -0.36 0.00 0.00 175.35 177.30 3fj9 s SER 58 N -0.68 6.77 0.47 1.43 0.15 0.10 0.10 113.70 122.05 3fj9 s SER 58 Ca 0.10 1.46 0.24 0.00 0.70 0.00 0.00 55.95 58.46 3fj9 s SER 58 Cb -0.11 -2.54 1.13 0.00 -1.71 0.00 0.00 66.02 62.80 3fj9 s SER 58 CO 0.01 -0.95 1.93 0.71 1.20 0.00 0.00 173.24 176.14 3fj9 h THR 59 N 5.76 0.65 0.22 6.45 1.35 -1.75 0.23 112.91 125.82 3fj9 h THR 59 Ca -0.27 -0.90 -0.30 0.00 -0.55 0.00 0.00 66.41 64.40 3fj9 h THR 59 Cb 1.10 1.57 0.03 0.00 -1.73 0.00 0.00 68.15 69.13 3fj9 h THR 59 CO 1.00 0.20 -1.32 -0.08 -0.25 0.00 0.00 175.52 175.07 3fj9 h GLU 60 N 0.00 0.47 0.00 4.72 4.57 -1.81 -3.39 114.58 119.15 3fj9 h GLU 60 Ca -0.00 -0.81 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 3fj9 h GLU 60 Cb 0.56 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3fj9 h GLU 60 CO 0.03 1.39 -0.82 0.25 -1.18 0.00 0.00 179.01 178.68 3fj9 n THR 61 N -3.82 0.00 -0.98 0.32 -2.24 -1.21 -5.01 114.28 101.33 3fj9 n THR 61 Ca -0.17 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3fj9 n THR 61 Cb 1.03 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3fj9 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fj9 n GLY 62 N 1.48 0.90 3.83 3.38 0.00 0.80 -5.01 105.19 110.56 3fj9 n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3fj9 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fj9 s GLN 63 N -0.04 4.04 -0.06 1.61 -0.21 -1.26 -4.71 119.66 119.03 3fj9 s GLN 63 Ca 0.00 1.08 -0.03 0.00 0.02 0.00 0.00 55.36 56.43 3fj9 s GLN 63 Cb 0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 3fj9 s GLN 63 CO 0.00 -0.20 0.08 0.71 -2.12 0.00 0.00 175.29 173.76 3fj9 s TYR 64 N -2.35 3.35 -0.00 0.91 1.51 0.37 -0.72 117.35 120.41 3fj9 s TYR 64 Ca 0.61 0.30 -0.30 0.00 -1.01 0.00 0.00 57.07 56.67 3fj9 s TYR 64 Cb -0.10 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 3fj9 s TYR 64 CO 0.22 0.58 1.43 -1.17 -1.11 0.00 0.00 175.55 175.51 3fj9 s LEU 65 N -1.30 4.32 0.15 -1.29 2.96 0.48 0.08 118.68 124.07 3fj9 s LEU 65 Ca 0.18 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 3fj9 s LEU 65 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3fj9 s LEU 65 CO 0.08 -0.75 -0.06 0.00 -1.32 0.00 0.00 176.35 174.30 3fj9 s ALA 66 N 2.55 1.35 -0.07 5.97 0.00 0.14 -4.42 121.76 127.28 3fj9 s ALA 66 Ca 0.65 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 3fj9 s ALA 66 Cb -0.32 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3fj9 s ALA 66 CO 0.27 -0.20 -0.04 1.41 0.00 0.00 0.00 175.76 177.20 3fj9 s MET 67 N -3.82 0.95 0.95 0.00 1.75 -0.85 -0.72 119.30 117.54 3fj9 s MET 67 Ca 0.18 -0.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.40 3fj9 s MET 67 Cb 0.04 -1.07 0.20 0.00 2.84 0.00 0.00 34.83 36.84 3fj9 s MET 67 CO 0.01 -0.19 1.30 0.16 -0.65 0.00 0.00 175.02 175.64 3fj9 s ASP 68 N 1.44 3.14 0.19 1.11 1.47 -0.23 -4.83 116.67 118.96 3fj9 s ASP 68 Ca -0.02 0.13 0.16 0.00 1.18 0.00 0.00 52.55 53.99 3fj9 s ASP 68 Cb -0.13 -0.16 0.77 0.00 -0.34 0.00 0.00 42.92 43.05 3fj9 s ASP 68 CO -0.03 -2.70 1.48 0.35 0.68 0.00 0.00 175.17 174.94 3fj9 n THR 69 N -3.69 1.24 1.14 2.11 -2.24 -1.26 -0.62 114.28 110.96 3fj9 n THR 69 Ca 0.16 0.51 0.12 0.00 -2.27 0.00 0.00 64.05 62.57 3fj9 n THR 69 Cb 0.59 -1.47 0.20 0.00 -2.10 0.00 0.00 70.33 67.55 3fj9 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fj9 n ASP 70 N -1.97 1.71 0.00 3.42 8.00 -1.26 -4.96 116.55 121.50 3fj9 n ASP 70 Ca 0.00 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.17 3fj9 n ASP 70 Cb 0.08 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3fj9 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fj9 n GLY 71 N 1.36 0.83 3.82 0.44 0.00 0.21 -4.73 105.19 107.12 3fj9 n GLY 71 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3fj9 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fj9 s LEU 72 N 0.00 4.36 0.45 0.99 2.01 -1.26 -0.06 118.68 125.18 3fj9 s LEU 72 Ca 0.00 0.57 -0.22 0.00 0.01 0.00 0.00 54.13 54.49 3fj9 s LEU 72 Cb 0.00 -2.26 -0.09 0.00 0.01 0.00 0.00 46.19 43.86 3fj9 s LEU 72 CO 0.00 0.30 1.05 -0.76 1.01 0.00 0.00 176.35 177.95 3fj9 s LEU 73 N -0.59 3.97 0.12 1.79 1.43 -1.26 -1.07 118.68 123.07 3fj9 s LEU 73 Ca 0.17 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 55.02 3fj9 s LEU 73 Cb -0.13 -4.40 0.07 0.00 0.03 0.00 0.00 46.19 41.76 3fj9 s LEU 73 CO 0.06 -0.68 0.64 -0.72 0.23 0.00 0.00 176.35 175.87 3fj9 s TYR 74 N -1.83 -0.53 -0.20 0.29 1.13 0.10 -4.64 117.35 111.67 3fj9 s TYR 74 Ca 0.63 0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 56.48 3fj9 s TYR 74 Cb -0.19 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 3fj9 s TYR 74 CO 0.24 -0.79 0.64 0.20 -2.51 0.00 0.00 175.55 173.32 3fj9 s GLY 75 N -2.56 2.05 -0.06 5.49 0.00 0.24 -0.69 107.32 111.80 3fj9 s GLY 75 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3fj9 s GLY 75 CO -0.10 1.32 0.13 -0.45 0.00 0.00 0.00 173.10 173.99 3fj9 s SER 76 N 1.20 6.12 0.47 1.64 0.15 0.11 -4.83 113.70 118.55 3fj9 s SER 76 Ca 0.29 0.33 0.26 0.00 0.70 0.00 0.00 55.95 57.53 3fj9 s SER 76 Cb -0.16 -1.90 1.04 0.00 -1.71 0.00 0.00 66.02 63.29 3fj9 s SER 76 CO 0.10 0.33 1.87 1.56 1.20 0.00 0.00 173.24 178.31 3fj9 h GLN 77 N 4.46 0.00 -5.62 5.44 1.08 -1.91 0.11 115.11 118.67 3fj9 h GLN 77 Ca -0.51 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.23 3fj9 h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 3fj9 h GLN 77 CO 0.62 0.18 -0.77 0.95 -0.95 0.00 0.00 178.83 178.86 3fj9 s THR 78 N -3.71 1.47 -1.26 -0.54 -4.23 -1.26 -4.84 115.64 101.26 3fj9 s THR 78 Ca 0.00 -1.70 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 3fj9 s THR 78 Cb 0.10 -1.56 0.17 0.00 1.34 0.00 0.00 72.50 72.55 3fj9 s THR 78 CO 0.62 -0.33 1.79 -0.81 -0.54 0.00 0.00 174.62 175.35 3fj9 n PRO 79 N 0.62 3.59 -0.53 3.99 -0.04 -1.26 -4.73 135.00 136.64 3fj9 n PRO 79 Ca -0.16 -3.61 0.00 0.00 -0.04 0.00 0.00 63.50 59.69 3fj9 n PRO 79 Cb 0.56 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 3fj9 n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fj9 n ASN 80 N 4.14 0.00 0.30 3.54 0.23 -1.26 -4.91 115.26 117.30 3fj9 n ASN 80 Ca 0.39 -0.73 0.16 0.00 -0.53 0.00 0.00 54.58 53.86 3fj9 n ASN 80 Cb 0.37 0.00 0.94 0.00 -2.08 0.00 0.00 39.78 39.02 3fj9 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fj9 h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.94 114.58 111.94 3fj9 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fj9 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fj9 h GLU 81 CO 0.00 0.00 -0.00 0.39 0.07 0.00 0.00 179.01 179.47 3fj9 n GLU 82 N -3.79 0.31 -0.02 1.06 1.02 -1.26 -3.49 120.64 114.46 3fj9 n GLU 82 Ca -0.03 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 3fj9 n GLU 82 Cb 0.08 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.09 3fj9 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fj9 s LEU 84 N -1.58 4.11 0.01 0.00 1.43 -1.23 -4.43 118.68 116.99 3fj9 s LEU 84 Ca 0.24 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 3fj9 s LEU 84 Cb 0.16 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3fj9 s LEU 84 CO 0.24 -0.31 -0.15 0.26 0.23 0.00 0.00 176.35 176.63 3fj9 s TRP 85 N 2.15 2.65 -0.48 0.29 0.52 -0.24 -1.15 118.94 122.68 3fj9 s TRP 85 Ca 0.27 -0.19 -0.20 0.00 0.02 0.00 0.00 56.10 56.00 3fj9 s TRP 85 Cb -0.16 -1.53 0.04 0.00 -1.15 0.00 0.00 33.47 30.68 3fj9 s TRP 85 CO 0.09 0.26 0.64 -0.51 0.02 0.00 0.00 176.95 177.45 3fj9 s LEU 86 N -1.26 4.76 -0.29 2.99 1.43 0.87 -0.33 118.68 126.85 3fj9 s LEU 86 Ca 0.14 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.31 3fj9 s LEU 86 Cb -0.11 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 3fj9 s LEU 86 CO 0.05 -0.86 0.79 -0.70 0.23 0.00 0.00 176.35 175.86 3fj9 s GLU 87 N 2.74 4.01 0.11 1.70 2.12 -0.38 -1.80 118.70 127.19 3fj9 s GLU 87 Ca 0.18 0.65 0.06 0.00 0.36 0.00 0.00 54.97 56.22 3fj9 s GLU 87 Cb -0.17 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 3fj9 s GLU 87 CO 0.14 -0.65 -0.15 1.03 -0.54 0.00 0.00 175.26 175.10 3fj9 s ARG 88 N 2.93 0.97 0.40 4.30 1.81 -0.07 -4.70 118.95 124.60 3fj9 s ARG 88 Ca 0.33 -1.15 -0.24 0.00 -1.72 0.00 0.00 55.73 52.95 3fj9 s ARG 88 Cb -0.14 -0.93 -0.09 0.00 -0.45 0.00 0.00 34.95 33.34 3fj9 s ARG 88 CO 0.12 0.19 1.05 -1.17 -0.68 0.00 0.00 175.30 174.81 3fj9 s LEU 89 N -2.19 4.14 -0.00 2.53 2.96 0.01 -0.52 118.68 125.61 3fj9 s LEU 89 Ca 0.05 2.05 -0.00 0.00 -0.22 0.00 0.00 54.13 56.01 3fj9 s LEU 89 Cb -0.07 -4.18 -0.00 0.00 0.50 0.00 0.00 46.19 42.44 3fj9 s LEU 89 CO 0.03 -0.50 0.01 -0.70 -1.32 0.00 0.00 176.35 173.87 3fj9 s GLU 90 N -2.49 0.05 -1.38 1.98 2.56 0.10 -4.81 118.70 114.70 3fj9 s GLU 90 Ca 0.58 -0.05 -0.09 0.00 0.00 0.00 0.00 54.97 55.41 3fj9 s GLU 90 Cb -0.22 0.02 0.06 0.00 2.00 0.00 0.00 34.13 35.99 3fj9 s GLU 90 CO 0.28 -0.01 0.59 0.39 -0.56 0.00 0.00 175.26 175.95 3fj9 n GLU 91 N 2.92 -3.99 -2.04 4.30 1.02 -1.26 -1.20 120.64 120.39 3fj9 n GLU 91 Ca -0.13 0.58 -0.17 0.00 -0.02 0.00 0.00 57.16 57.42 3fj9 n GLU 91 Cb 0.59 -5.35 -0.03 0.00 -0.02 0.00 0.00 31.44 26.63 3fj9 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fj9 n ASN 92 N -2.42 -4.68 0.04 1.62 4.13 -1.26 -4.61 115.26 108.08 3fj9 n ASN 92 Ca -0.03 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.46 3fj9 n ASN 92 Cb 0.56 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 3fj9 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fj9 n HIS 93 N -3.04 -2.57 -2.11 3.10 -0.00 -0.34 -5.16 115.22 105.10 3fj9 n HIS 93 Ca -0.18 0.26 -0.28 0.00 -0.00 0.00 0.00 57.72 57.52 3fj9 n HIS 93 Cb 0.61 1.05 0.14 0.00 -0.00 0.00 0.00 29.99 31.79 3fj9 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fj9 s TYR 94 N -2.00 1.93 -0.08 1.57 2.02 -0.41 -4.80 117.35 115.59 3fj9 s TYR 94 Ca 0.00 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 3fj9 s TYR 94 Cb 0.00 -3.68 -0.03 0.00 -0.40 0.00 0.00 41.96 37.85 3fj9 s TYR 94 CO 0.00 -2.18 -0.10 -0.80 -1.57 0.00 0.00 175.55 170.90 3fj9 s ASN 95 N -4.77 4.32 0.18 2.29 -0.87 0.10 -0.72 114.94 115.47 3fj9 s ASN 95 Ca 0.69 -0.14 0.09 0.00 -1.57 0.00 0.00 52.86 51.93 3fj9 s ASN 95 Cb -0.06 -1.14 -0.04 0.00 -0.02 0.00 0.00 41.25 39.99 3fj9 s ASN 95 CO 0.50 0.32 -0.19 0.42 -2.57 0.00 0.00 177.10 175.57 3fj9 s THR 96 N -0.54 1.94 -0.17 1.60 -4.23 0.33 -1.14 115.64 113.44 3fj9 s THR 96 Ca 0.08 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3fj9 s THR 96 Cb -0.12 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.85 3fj9 s THR 96 CO 0.02 -0.29 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.48 3fj9 s TYR 97 N -2.03 1.39 -0.10 3.99 2.02 -1.26 -0.89 117.35 120.47 3fj9 s TYR 97 Ca 0.17 -0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 55.92 3fj9 s TYR 97 Cb -0.06 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3fj9 s TYR 97 CO 0.08 -0.58 -0.00 0.42 -1.57 0.00 0.00 175.55 173.89 3fj9 s ILE 98 N 1.74 4.27 0.04 2.71 1.01 -0.75 -1.31 121.20 128.91 3fj9 s ILE 98 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 3fj9 s ILE 98 Cb -0.16 -2.81 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 3fj9 s ILE 98 CO -0.07 0.58 1.97 -0.55 0.00 0.00 0.00 174.94 176.87 3fj9 s SER 99 N -0.62 6.44 0.08 3.58 0.15 -0.05 -0.09 113.70 123.20 3fj9 s SER 99 Ca 0.10 2.68 -0.20 0.00 0.70 0.00 0.00 55.95 59.23 3fj9 s SER 99 Cb -0.12 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 3fj9 s SER 99 CO 0.02 -1.06 1.58 0.50 1.20 0.00 0.00 173.24 175.48 3fj9 h LYS 100 N 10.64 0.30 -0.93 5.44 3.64 -1.46 0.19 116.57 134.38 3fj9 h LYS 100 Ca -0.50 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 3fj9 h LYS 100 Cb 1.24 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 3fj9 h LYS 100 CO 0.94 0.42 0.60 -0.22 -2.27 0.00 0.00 179.45 178.92 3fj9 h LYS 101 N 0.13 0.98 -0.62 1.90 3.64 -1.76 -2.26 116.57 118.57 3fj9 h LYS 101 Ca 0.06 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3fj9 h LYS 101 Cb 0.25 -0.22 -0.18 0.00 -0.41 0.00 0.00 32.23 31.67 3fj9 h LYS 101 CO -0.00 0.65 0.23 0.72 -2.27 0.00 0.00 179.45 178.78 3fj9 n HIS 102 N -4.52 1.93 -0.34 1.91 8.25 -1.07 -4.73 115.22 116.65 3fj9 n HIS 102 Ca 0.15 -1.63 0.10 0.00 -0.26 0.00 0.00 57.72 56.08 3fj9 n HIS 102 Cb 0.25 -0.67 0.27 0.00 1.12 0.00 0.00 29.99 30.96 3fj9 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fj9 h ALA 103 N 1.17 1.53 0.00 -1.41 0.00 0.00 0.22 119.26 120.76 3fj9 h ALA 103 Ca 0.37 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3fj9 h ALA 103 Cb 2.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3fj9 h ALA 103 CO 0.68 0.02 0.00 1.05 0.00 0.00 0.00 179.25 181.00 3fj9 h GLU 104 N 0.79 0.00 -0.00 0.00 9.09 -1.85 -2.34 114.58 120.27 3fj9 h GLU 104 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 3fj9 h GLU 104 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 3fj9 h GLU 104 CO -0.34 0.00 -0.50 1.63 0.05 0.00 0.00 179.01 179.84 3fj9 n LYS 105 N -2.30 0.23 -3.47 1.06 5.02 0.75 -4.96 118.16 114.48 3fj9 n LYS 105 Ca 0.02 -0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 3fj9 n LYS 105 Cb 0.21 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3fj9 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fj9 n ASN 106 N -1.26 -2.75 -4.62 4.39 4.13 -0.88 -4.97 115.26 109.30 3fj9 n ASN 106 Ca 0.07 -0.62 -0.39 0.00 1.68 0.00 0.00 54.58 55.32 3fj9 n ASN 106 Cb 0.34 -5.06 -0.08 0.00 -1.54 0.00 0.00 39.78 33.43 3fj9 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fj9 s TRP 107 N -3.37 3.26 0.27 3.10 0.51 -1.25 -4.43 118.94 117.04 3fj9 s TRP 107 Ca 0.10 0.50 0.09 0.00 -2.12 0.00 0.00 56.10 54.67 3fj9 s TRP 107 Cb -0.05 -2.61 -0.04 0.00 -0.81 0.00 0.00 33.47 29.96 3fj9 s TRP 107 CO 0.73 -0.22 0.08 -0.06 -0.51 0.00 0.00 176.95 176.97 3fj9 s PHE 108 N 2.07 2.82 0.15 -1.98 0.40 -1.26 -0.87 117.98 119.30 3fj9 s PHE 108 Ca 0.17 -0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 56.00 3fj9 s PHE 108 Cb -0.16 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 3fj9 s PHE 108 CO 0.09 0.54 0.91 0.08 0.70 0.00 0.00 175.22 177.54 3fj9 s VAL 109 N -2.28 4.39 0.00 -0.44 1.01 -0.42 -4.56 120.40 118.10 3fj9 s VAL 109 Ca 0.33 1.98 -0.28 0.00 0.00 0.00 0.00 61.98 64.01 3fj9 s VAL 109 Cb -0.06 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 32.11 3fj9 s VAL 109 CO 0.22 0.40 0.64 -0.83 0.00 0.00 0.00 175.10 175.52 3fj9 s GLY 110 N -0.48 -0.56 -0.04 4.51 0.00 -1.26 -4.41 107.32 105.08 3fj9 s GLY 110 Ca 0.43 1.06 0.05 0.00 0.00 0.00 0.00 44.72 46.25 3fj9 s GLY 110 CO 0.29 0.71 -0.18 1.08 0.00 0.00 0.00 173.10 175.00 3fj9 s LEU 111 N -1.56 1.96 1.04 0.66 1.43 -0.54 -0.22 118.68 121.44 3fj9 s LEU 111 Ca -0.08 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 3fj9 s LEU 111 Cb -0.00 -1.01 0.22 0.00 0.03 0.00 0.00 46.19 45.42 3fj9 s LEU 111 CO 0.04 0.18 1.18 -0.54 0.23 0.00 0.00 176.35 177.44 3fj9 s LYS 112 N -0.08 0.05 0.48 1.70 1.02 0.38 -4.53 119.74 118.76 3fj9 s LYS 112 Ca -0.01 -0.05 0.27 0.00 0.02 0.00 0.00 55.97 56.19 3fj9 s LYS 112 Cb -0.11 -1.74 1.12 0.00 -0.52 0.00 0.00 37.83 36.58 3fj9 s LYS 112 CO 0.02 -2.87 1.91 0.87 -0.92 0.00 0.00 175.35 174.35 3fj9 h LYS 113 N -1.98 0.00 -0.07 1.68 1.57 -1.87 -2.65 116.57 113.25 3fj9 h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3fj9 h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3fj9 h LYS 113 CO 0.44 0.16 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 3fj9 n ASN 114 N -3.37 1.46 0.00 0.86 0.23 -1.26 -4.58 115.26 108.60 3fj9 n ASN 114 Ca -0.00 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 3fj9 n ASN 114 Cb 0.37 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3fj9 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fj9 n GLY 115 N 1.14 1.84 3.79 4.83 0.00 -1.00 -4.98 105.19 110.81 3fj9 n GLY 115 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3fj9 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fj9 s SER 116 N -1.76 6.92 0.56 1.61 1.04 -1.26 0.41 113.70 121.21 3fj9 s SER 116 Ca 0.00 1.93 -0.17 0.00 0.48 0.00 0.00 55.95 58.19 3fj9 s SER 116 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3fj9 s SER 116 CO 0.00 -0.37 1.04 0.00 0.98 0.00 0.00 173.24 174.88 3fj9 s LYS 118 N -3.93 3.61 -0.01 0.00 1.02 0.69 -4.77 119.74 116.36 3fj9 s LYS 118 Ca 0.63 0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.77 3fj9 s LYS 118 Cb -0.14 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 3fj9 s LYS 118 CO 0.33 -0.17 0.41 1.03 -0.92 0.00 0.00 175.35 176.02 3fj9 s ARG 119 N -4.50 3.95 0.23 1.68 0.52 -1.26 -4.67 118.95 114.89 3fj9 s ARG 119 Ca 0.49 0.40 -0.15 0.00 -0.52 0.00 0.00 55.73 55.95 3fj9 s ARG 119 Cb -0.10 -3.24 0.26 0.00 0.52 0.00 0.00 34.95 32.39 3fj9 s ARG 119 CO 0.41 0.65 1.58 0.78 0.02 0.00 0.00 175.30 178.74 3fj9 h GLY 120 N 4.86 0.25 1.09 -3.53 0.00 -0.71 0.15 103.07 105.19 3fj9 h GLY 120 Ca -0.51 0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.32 3fj9 h GLY 120 CO 0.62 -0.26 0.36 -2.55 0.00 0.00 0.00 176.54 174.72 3fj9 h PRO 121 N -0.05 0.00 -0.34 4.80 0.11 -1.85 0.10 132.00 134.78 3fj9 h PRO 121 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3fj9 h PRO 121 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3fj9 h PRO 121 CO -0.86 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.47 3fj9 n ARG 122 N -3.80 2.18 -3.97 1.05 5.12 0.51 -4.92 116.66 112.84 3fj9 n ARG 122 Ca 0.06 -1.79 -0.21 0.00 -1.93 0.00 0.00 57.85 53.97 3fj9 n ARG 122 Cb 0.52 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.33 3fj9 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fj9 s THR 123 N -1.56 4.21 -0.21 0.55 -4.23 0.35 -4.90 115.64 109.86 3fj9 s THR 123 Ca 0.36 -1.33 -0.36 0.00 -1.18 0.00 0.00 61.69 59.18 3fj9 s THR 123 Cb 0.20 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.81 3fj9 s THR 123 CO 0.28 -0.28 1.24 -1.38 -0.54 0.00 0.00 174.62 173.94 3fj9 s HIS 124 N -2.18 -0.11 0.58 3.99 -3.43 -1.26 -4.85 115.29 108.03 3fj9 s HIS 124 Ca 0.36 0.06 -0.19 0.00 -0.80 0.00 0.00 55.06 54.49 3fj9 s HIS 124 Cb -0.07 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.54 3fj9 s HIS 124 CO 0.26 -0.17 1.05 0.66 -2.00 0.00 0.00 174.74 174.54 3fj9 n TYR 125 N -0.08 1.16 0.00 0.38 4.01 -1.26 -2.83 117.16 118.53 3fj9 n TYR 125 Ca 0.01 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 3fj9 n TYR 125 Cb 0.58 -2.19 0.00 0.00 -0.31 0.00 0.00 39.34 37.42 3fj9 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fj9 n GLY 126 N 1.17 1.27 3.88 2.72 0.00 -1.26 -5.06 105.19 107.91 3fj9 n GLY 126 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3fj9 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fj9 s GLN 127 N -0.69 3.52 0.08 1.61 -0.21 -1.13 -4.98 119.66 117.86 3fj9 s GLN 127 Ca 0.00 0.62 0.20 0.00 0.02 0.00 0.00 55.36 56.20 3fj9 s GLN 127 Cb 0.00 -2.13 -0.13 0.00 1.00 0.00 0.00 33.01 31.76 3fj9 s GLN 127 CO 0.00 -0.55 0.80 1.63 -2.12 0.00 0.00 175.29 175.05 3fj9 n LYS 128 N -2.69 0.63 0.29 2.91 4.76 -1.26 -4.05 118.16 118.75 3fj9 n LYS 128 Ca 0.05 0.11 0.18 0.00 -2.87 0.00 0.00 58.31 55.78 3fj9 n LYS 128 Cb 0.55 -1.75 0.83 0.00 -1.84 0.00 0.00 35.03 32.81 3fj9 n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fj9 h ALA 129 N 1.69 1.05 -0.01 7.82 0.00 -1.94 -2.65 119.26 125.21 3fj9 h ALA 129 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fj9 h ALA 129 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3fj9 h ALA 129 CO 0.02 0.04 -0.15 0.44 0.00 0.00 0.00 179.25 179.60 3fj9 n ILE 130 N -3.20 0.00 -3.09 0.00 -5.35 -1.26 -1.47 119.36 104.99 3fj9 n ILE 130 Ca -0.01 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 3fj9 n ILE 130 Cb 0.24 0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 38.78 3fj9 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fj9 s LEU 131 N -2.24 4.14 0.25 7.28 1.43 -1.00 -4.44 118.68 124.10 3fj9 s LEU 131 Ca 0.29 0.45 0.12 0.00 -1.03 0.00 0.00 54.13 53.96 3fj9 s LEU 131 Cb 0.20 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3fj9 s LEU 131 CO 0.43 -0.50 -0.20 -0.36 0.23 0.00 0.00 176.35 175.95 3fj9 s PHE 132 N 2.65 2.32 -0.06 0.29 0.40 -0.29 -3.12 117.98 120.18 3fj9 s PHE 132 Ca 0.26 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3fj9 s PHE 132 Cb -0.15 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.35 3fj9 s PHE 132 CO 0.12 0.63 -0.03 -1.17 0.70 0.00 0.00 175.22 175.47 3fj9 s LEU 133 N -3.20 1.02 0.33 -0.37 2.96 0.20 0.02 118.68 119.64 3fj9 s LEU 133 Ca 0.27 -0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.77 3fj9 s LEU 133 Cb -0.06 -0.51 -0.09 0.00 0.50 0.00 0.00 46.19 46.03 3fj9 s LEU 133 CO 0.13 -0.12 1.08 -2.16 -1.32 0.00 0.00 176.35 173.97 3fj9 s PRO 134 N 1.44 4.44 0.03 0.98 0.04 -1.26 -1.06 135.00 139.61 3fj9 s PRO 134 Ca -0.03 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.73 3fj9 s PRO 134 Cb -0.13 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 3fj9 s PRO 134 CO -0.03 0.06 -0.06 -0.51 0.04 0.00 0.00 177.00 176.50 3fj9 s LEU 135 N -1.92 2.25 0.61 -3.56 1.43 0.14 -4.92 118.68 112.72 3fj9 s LEU 135 Ca 0.50 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 3fj9 s LEU 135 Cb -0.28 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 3fj9 s LEU 135 CO 0.36 -0.25 1.20 -2.16 0.23 0.00 0.00 176.35 175.73 3fj9 s PRO 136 N -1.57 2.86 0.00 1.29 0.04 -1.26 0.03 135.00 136.39 3fj9 s PRO 136 Ca -0.12 1.79 0.12 0.00 0.04 0.00 0.00 61.00 62.83 3fj9 s PRO 136 Cb -0.10 -1.92 0.73 0.00 0.04 0.00 0.00 34.50 33.26 3fj9 s PRO 136 CO -0.00 -1.29 1.16 1.33 0.04 0.00 0.00 177.00 178.24