#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 1.05 -2.76 -1.40 7.35 -1.26 -5.02 117.46 115.41 3fj9 n PHE 1 Ca 0.00 -1.63 -0.42 0.00 -0.76 0.00 0.00 57.45 54.64 3fj9 n PHE 1 Cb 0.00 -0.23 -0.03 0.00 0.35 0.00 0.00 39.48 39.57 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 -3.20 7.07 0.06 -2.13 0.01 -1.26 -5.03 114.94 110.46 3fj9 s ASN 2 Ca 0.35 1.32 0.04 0.00 -0.71 0.00 0.00 52.86 53.86 3fj9 s ASN 2 Cb 0.36 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 3fj9 s ASN 2 CO -0.06 -0.51 0.01 -0.76 -1.51 0.00 0.00 177.10 174.26 3fj9 s LEU 3 N 2.54 3.50 0.65 0.60 1.43 -1.26 -0.96 118.68 125.17 3fj9 s LEU 3 Ca 0.42 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 3fj9 s LEU 3 Cb -0.16 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3fj9 s LEU 3 CO 0.11 0.20 1.04 -2.16 0.23 0.00 0.00 176.35 175.78 3fj9 s PRO 4 N -2.11 3.29 0.31 1.29 0.04 -1.26 -4.57 135.00 131.99 3fj9 s PRO 4 Ca 0.24 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 3fj9 s PRO 4 Cb -0.12 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.46 3fj9 s PRO 4 CO 0.16 -0.81 0.40 -0.35 0.04 0.00 0.00 177.00 176.44 3fj9 n PRO 5 N -2.78 -0.51 0.00 0.56 -0.04 -1.26 -4.95 135.00 126.02 3fj9 n PRO 5 Ca 0.07 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 3fj9 n PRO 5 Cb 0.54 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 3fj9 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fj9 n GLY 6 N 2.15 -1.60 0.00 0.55 0.00 -1.26 -5.07 105.19 99.96 3fj9 n GLY 6 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.05 0.49 -0.53 1.61 0.23 -1.26 -5.06 115.26 108.69 3fj9 n ASN 7 Ca 0.00 -0.59 0.06 0.00 -0.53 0.00 0.00 54.58 53.53 3fj9 n ASN 7 Cb 0.00 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.00 0.47 -0.27 -2.53 4.01 -1.26 -4.72 117.16 112.86 3fj9 n TYR 8 Ca 0.00 -0.69 0.02 0.00 -0.16 0.00 0.00 57.90 57.07 3fj9 n TYR 8 Cb 0.00 -0.14 0.15 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.30 0.67 -6.13 -0.72 1.57 -1.97 -3.44 116.57 107.85 3fj9 h LYS 9 Ca 0.00 -0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 58.16 3fj9 h LYS 9 Cb 0.96 -0.15 -0.15 0.00 0.08 0.00 0.00 32.23 32.96 3fj9 h LYS 9 CO 0.07 0.44 -0.77 0.15 -0.57 0.00 0.00 179.45 178.78 3fj9 s LYS 10 N -6.04 1.55 0.90 3.15 1.02 -1.26 -5.12 119.74 113.94 3fj9 s LYS 10 Ca -0.12 -1.66 -0.11 0.00 0.02 0.00 0.00 55.97 54.09 3fj9 s LYS 10 Cb 0.19 -1.62 0.14 0.00 -0.52 0.00 0.00 37.83 36.01 3fj9 s LYS 10 CO 0.77 0.31 1.10 -1.25 -0.92 0.00 0.00 175.35 175.36 3fj9 s PRO 11 N -3.33 1.16 0.18 -1.68 0.04 -1.26 -4.75 135.00 125.35 3fj9 s PRO 11 Ca 0.26 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 3fj9 s PRO 11 Cb -0.05 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3fj9 s PRO 11 CO 0.12 -2.42 0.17 0.15 0.04 0.00 0.00 177.00 175.07 3fj9 s LYS 12 N -4.76 1.15 -0.06 4.56 -0.14 0.13 -4.16 119.74 116.46 3fj9 s LYS 12 Ca 0.65 -1.45 -0.00 0.00 -1.36 0.00 0.00 55.97 53.81 3fj9 s LYS 12 Cb -0.20 0.30 -0.03 0.00 -1.68 0.00 0.00 37.83 36.22 3fj9 s LYS 12 CO 0.58 -0.39 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.26 3fj9 s LEU 13 N -3.08 3.45 -0.50 3.17 1.43 0.15 -1.09 118.68 122.21 3fj9 s LEU 13 Ca 0.29 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 3fj9 s LEU 13 Cb 0.06 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.58 3fj9 s LEU 13 CO 0.06 0.35 0.38 -0.76 0.23 0.00 0.00 176.35 176.62 3fj9 s LEU 14 N -1.02 5.78 -0.20 1.79 1.43 -1.26 -0.17 118.68 125.03 3fj9 s LEU 14 Ca 0.14 -1.98 -0.21 0.00 -1.03 0.00 0.00 54.13 51.05 3fj9 s LEU 14 Cb -0.11 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3fj9 s LEU 14 CO 0.04 -0.69 0.66 -0.47 0.23 0.00 0.00 176.35 176.12 3fj9 s TYR 15 N 1.27 3.37 -0.32 0.29 5.04 -0.07 -1.59 117.35 125.34 3fj9 s TYR 15 Ca 0.07 0.96 -0.12 0.00 -2.44 0.00 0.00 57.07 55.53 3fj9 s TYR 15 Cb -0.26 -2.84 -0.03 0.00 0.35 0.00 0.00 41.96 39.19 3fj9 s TYR 15 CO -0.01 -0.21 0.23 0.00 -1.34 0.00 0.00 175.55 174.22 3fj9 h SER 17 N 8.45 0.00 -0.66 0.00 0.87 -1.85 0.14 113.55 120.49 3fj9 h SER 17 Ca -0.32 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.36 3fj9 h SER 17 Cb 1.17 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.00 3fj9 h SER 17 CO 0.61 0.17 -0.30 -1.13 -0.53 0.00 0.00 176.83 175.65 3fj9 h ASN 18 N 0.00 -1.06 0.00 6.23 -1.24 -1.84 -3.09 115.58 114.57 3fj9 h ASN 18 Ca -0.00 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.24 3fj9 h ASN 18 Cb 0.59 0.56 0.00 0.00 0.73 0.00 0.00 38.32 40.20 3fj9 h ASN 18 CO 0.02 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.48 3fj9 n GLY 19 N -1.45 -0.68 1.57 1.57 0.00 -1.23 -4.70 105.19 100.27 3fj9 n GLY 19 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.12 0.26 3.39 -0.02 0.00 0.42 -4.98 105.19 104.38 3fj9 n GLY 20 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.08 2.19 -0.12 1.61 3.76 -0.86 -4.56 115.29 114.24 3fj9 s HIS 21 Ca 0.00 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 3fj9 s HIS 21 Cb -0.00 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 3fj9 s HIS 21 CO 0.17 0.40 0.22 -0.06 -0.85 0.00 0.00 174.74 174.62 3fj9 s PHE 22 N -1.46 3.56 0.25 1.40 0.08 0.35 -0.00 117.98 122.15 3fj9 s PHE 22 Ca 0.16 0.59 -0.30 0.00 0.12 0.00 0.00 56.93 57.51 3fj9 s PHE 22 Cb -0.09 -2.14 -0.10 0.00 -0.57 0.00 0.00 43.02 40.12 3fj9 s PHE 22 CO 0.08 0.52 1.49 -1.17 -0.10 0.00 0.00 175.22 176.04 3fj9 s LEU 23 N -0.44 4.38 -0.02 -0.37 2.96 -0.62 -1.53 118.68 123.04 3fj9 s LEU 23 Ca 0.16 2.72 0.02 0.00 -0.22 0.00 0.00 54.13 56.81 3fj9 s LEU 23 Cb -0.13 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3fj9 s LEU 23 CO 0.05 -0.76 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.63 3fj9 s ARG 24 N -0.22 0.90 -0.33 1.98 3.52 0.13 -4.48 118.95 120.45 3fj9 s ARG 24 Ca 0.61 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.93 3fj9 s ARG 24 Cb -0.43 -0.85 0.09 0.00 -1.56 0.00 0.00 34.95 32.19 3fj9 s ARG 24 CO 0.43 0.12 0.03 0.42 -0.81 0.00 0.00 175.30 175.49 3fj9 s ILE 25 N 0.13 2.52 0.52 4.11 1.01 -0.75 -1.61 121.20 127.12 3fj9 s ILE 25 Ca -0.02 -2.01 -0.20 0.00 0.00 0.00 0.00 60.65 58.42 3fj9 s ILE 25 Cb -0.08 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 3fj9 s ILE 25 CO 0.00 -0.42 1.11 -0.76 0.00 0.00 0.00 174.94 174.87 3fj9 s LEU 26 N 1.03 3.81 0.43 2.97 1.43 -0.10 -4.82 118.68 123.43 3fj9 s LEU 26 Ca 0.04 2.12 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 3fj9 s LEU 26 Cb -0.20 -4.53 1.21 0.00 0.03 0.00 0.00 46.19 42.69 3fj9 s LEU 26 CO -0.06 -1.05 1.77 -0.65 0.23 0.00 0.00 176.35 176.59 3fj9 h PRO 27 N 1.41 0.29 -0.29 1.29 0.11 -1.98 0.20 132.00 133.03 3fj9 h PRO 27 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fj9 h PRO 27 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fj9 h PRO 27 CO 0.58 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3fj9 n ASP 28 N -4.55 0.58 0.00 -2.05 5.75 -1.26 -4.84 116.55 110.17 3fj9 n ASP 28 Ca 0.26 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3fj9 n ASP 28 Cb 0.98 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 0.45 1.41 3.77 6.12 0.00 0.70 -4.96 105.19 112.68 3fj9 n GLY 29 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3fj9 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fj9 s THR 30 N -2.76 3.06 -0.04 2.61 2.01 -1.24 -0.89 115.64 118.39 3fj9 s THR 30 Ca 0.00 0.81 0.05 0.00 0.31 0.00 0.00 61.69 62.85 3fj9 s THR 30 Cb 0.00 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 3fj9 s THR 30 CO 0.00 -0.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.06 3fj9 s VAL 31 N -1.52 1.43 0.00 3.82 1.01 -1.26 -0.92 120.40 122.96 3fj9 s VAL 31 Ca 0.63 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3fj9 s VAL 31 Cb -0.29 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3fj9 s VAL 31 CO 0.36 0.41 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 3fj9 n ASP 32 N 3.06 0.00 -4.22 3.32 5.75 -0.63 -4.50 116.55 119.33 3fj9 n ASP 32 Ca -0.18 -0.34 -0.18 0.00 -0.01 0.00 0.00 54.79 54.08 3fj9 n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.64 1.01 0.01 6.12 0.00 -0.12 0.18 107.32 113.89 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 -1.24 0.06 -1.08 0.00 0.00 0.00 173.10 170.83 3fj9 s THR 34 N -1.84 0.10 -1.96 0.90 -1.32 -0.58 -4.81 115.64 106.13 3fj9 s THR 34 Ca 0.05 -0.84 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 3fj9 s THR 34 Cb -0.07 -0.41 0.20 0.00 -1.51 0.00 0.00 72.50 70.72 3fj9 s THR 34 CO 0.03 -0.46 1.42 0.54 -2.21 0.00 0.00 174.62 173.94 3fj9 n ARG 35 N 1.44 1.08 -2.63 7.08 1.74 -1.26 -0.49 116.66 123.62 3fj9 n ARG 35 Ca -0.23 -0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 55.68 3fj9 n ARG 35 Cb 0.56 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.43 6.34 0.63 0.55 2.15 -1.26 -4.89 116.67 117.76 3fj9 s ASP 36 Ca 0.24 -0.16 0.39 0.00 0.43 0.00 0.00 52.55 53.45 3fj9 s ASP 36 Cb 0.19 -2.53 2.10 0.00 -0.30 0.00 0.00 42.92 42.38 3fj9 s ASP 36 CO 0.51 -1.53 2.27 0.03 -0.17 0.00 0.00 175.17 176.29 3fj9 h ARG 37 N 9.63 0.00 -0.00 4.34 3.08 -2.02 -1.68 114.38 127.73 3fj9 h ARG 37 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3fj9 h ARG 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3fj9 h ARG 37 CO 1.19 0.01 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.88 3fj9 n SER 38 N -3.25 0.21 -4.69 7.04 3.41 -1.26 -4.90 113.62 110.19 3fj9 n SER 38 Ca -0.02 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 3fj9 n SER 38 Cb 0.12 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.27 2.77 -0.36 4.04 -0.08 -0.64 -4.89 116.55 116.13 3fj9 n ASP 39 Ca 0.11 1.18 0.14 0.00 -1.51 0.00 0.00 54.79 54.71 3fj9 n ASP 39 Cb 0.29 -1.47 0.56 0.00 2.34 0.00 0.00 41.12 42.85 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 1.11 1.38 -0.48 -0.67 1.13 -1.26 -3.91 117.38 114.68 3fj9 n GLN 40 Ca 0.07 -0.71 0.06 0.00 -1.94 0.00 0.00 57.00 54.48 3fj9 n GLN 40 Cb 0.34 -1.49 0.24 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.19 0.88 0.53 1.08 8.25 -1.26 -4.44 115.22 120.07 3fj9 n HIS 41 Ca 0.18 -1.03 0.06 0.00 -0.26 0.00 0.00 57.72 56.67 3fj9 n HIS 41 Cb 0.32 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.74 0.00 -2.68 1.59 -5.35 -1.25 -1.82 119.36 109.11 3fj9 n ILE 42 Ca 0.23 -0.37 -0.43 0.00 -0.27 0.00 0.00 62.75 61.91 3fj9 n ILE 42 Cb 0.90 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.91 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 -1.54 4.29 0.00 6.28 1.11 -1.26 -4.49 119.66 124.05 3fj9 s GLN 43 Ca 0.10 1.34 0.07 0.00 0.01 0.00 0.00 55.36 56.87 3fj9 s GLN 43 Cb 0.10 -3.62 -0.02 0.00 -1.01 0.00 0.00 33.01 28.46 3fj9 s GLN 43 CO 0.30 -0.55 -0.20 -0.51 0.01 0.00 0.00 175.29 174.34 3fj9 s LEU 44 N 2.90 2.08 -0.23 2.90 1.43 -0.25 -1.82 118.68 125.69 3fj9 s LEU 44 Ca 0.44 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 3fj9 s LEU 44 Cb -0.16 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3fj9 s LEU 44 CO 0.09 0.22 0.01 -1.58 0.23 0.00 0.00 176.35 175.32 3fj9 s GLN 45 N -0.71 3.53 0.13 1.70 2.00 0.18 0.20 119.66 126.69 3fj9 s GLN 45 Ca 0.08 -0.55 0.02 0.00 -2.00 0.00 0.00 55.36 52.91 3fj9 s GLN 45 Cb -0.08 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.54 3fj9 s GLN 45 CO 0.00 -0.17 0.24 -0.51 -0.50 0.00 0.00 175.29 174.36 3fj9 s LEU 46 N 1.47 4.28 -0.04 3.68 1.02 -1.26 -1.31 118.68 126.52 3fj9 s LEU 46 Ca 0.05 0.16 -0.16 0.00 0.02 0.00 0.00 54.13 54.20 3fj9 s LEU 46 Cb -0.15 -2.86 0.03 0.00 0.02 0.00 0.00 46.19 43.23 3fj9 s LEU 46 CO 0.00 0.09 0.37 -0.94 0.02 0.00 0.00 176.35 175.89 3fj9 s SER 47 N -3.01 -0.28 -0.19 2.29 1.04 -1.01 -4.77 113.70 107.77 3fj9 s SER 47 Ca 0.34 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 3fj9 s SER 47 Cb -0.11 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3fj9 s SER 47 CO 0.28 -0.42 0.21 0.00 0.98 0.00 0.00 173.24 174.29 3fj9 s ALA 48 N -1.07 3.64 -0.06 5.32 0.00 -1.26 -1.40 121.76 126.92 3fj9 s ALA 48 Ca -0.11 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.33 3fj9 s ALA 48 Cb -0.04 -2.30 -0.24 0.00 0.00 0.00 0.00 23.12 20.54 3fj9 s ALA 48 CO 0.04 0.07 0.59 0.39 0.00 0.00 0.00 175.76 176.85 3fj9 n GLU 49 N 3.69 0.65 -3.82 0.00 -0.58 0.07 -4.96 120.64 115.69 3fj9 n GLU 49 Ca -0.14 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 3fj9 n GLU 49 Cb 0.52 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.57 3fj9 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3fj9 s SER 50 N -6.22 -0.18 0.15 1.62 0.01 -1.22 -5.03 113.70 102.83 3fj9 s SER 50 Ca -0.08 -0.62 -0.32 0.00 1.31 0.00 0.00 55.95 56.24 3fj9 s SER 50 Cb 0.08 0.56 -0.11 0.00 0.21 0.00 0.00 66.02 66.76 3fj9 s SER 50 CO 0.82 -1.05 1.78 0.52 0.41 0.00 0.00 173.24 175.71 3fj9 n VAL 51 N -0.33 0.22 -0.95 3.43 0.31 -1.26 -1.06 118.33 118.69 3fj9 n VAL 51 Ca -0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3fj9 n VAL 51 Cb 0.62 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 4.09 0.88 3.32 2.92 0.00 -1.26 -5.00 105.19 110.13 3fj9 n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 3.36 0.14 1.61 2.02 -0.23 -0.56 118.70 124.93 3fj9 s GLU 53 Ca 0.00 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.37 3fj9 s GLU 53 Cb 0.00 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 3fj9 s GLU 53 CO 0.00 -0.08 -0.06 0.14 0.02 0.00 0.00 175.26 175.27 3fj9 s VAL 54 N 1.15 0.89 0.02 2.63 -7.23 0.34 -0.75 120.40 117.46 3fj9 s VAL 54 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3fj9 s VAL 54 Cb -0.14 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3fj9 s VAL 54 CO -0.02 -0.71 0.06 -0.31 -0.31 0.00 0.00 175.10 173.81 3fj9 s TYR 55 N -3.50 3.21 -0.25 2.82 2.02 -0.49 -1.40 117.35 119.76 3fj9 s TYR 55 Ca 0.17 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.04 3fj9 s TYR 55 Cb 0.04 -1.69 0.06 0.00 -0.40 0.00 0.00 41.96 39.97 3fj9 s TYR 55 CO -0.00 0.52 -0.11 0.42 -1.57 0.00 0.00 175.55 174.81 3fj9 s ILE 56 N -1.24 2.06 -0.05 2.71 1.01 -1.26 -2.40 121.20 122.03 3fj9 s ILE 56 Ca 0.24 -1.51 0.06 0.00 0.00 0.00 0.00 60.65 59.44 3fj9 s ILE 56 Cb -0.12 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3fj9 s ILE 56 CO 0.16 0.01 -0.23 -0.75 0.00 0.00 0.00 174.94 174.12 3fj9 s LYS 57 N 1.16 2.32 -0.00 2.79 2.20 -0.43 -0.29 119.74 127.50 3fj9 s LYS 57 Ca -0.07 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.39 3fj9 s LYS 57 Cb -0.19 -2.01 -0.07 0.00 -1.51 0.00 0.00 37.83 34.05 3fj9 s LYS 57 CO -0.06 0.37 1.62 0.45 -0.36 0.00 0.00 175.35 177.38 3fj9 s SER 58 N -0.18 6.67 0.31 1.43 0.15 0.09 0.52 113.70 122.69 3fj9 s SER 58 Ca -0.02 2.31 0.15 0.00 0.70 0.00 0.00 55.95 59.09 3fj9 s SER 58 Cb -0.13 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.07 3fj9 s SER 58 CO 0.03 -0.88 1.63 0.71 1.20 0.00 0.00 173.24 175.92 3fj9 h THR 59 N 5.21 1.13 -0.06 6.45 1.35 -1.70 0.15 112.91 125.44 3fj9 h THR 59 Ca -0.40 -1.94 -0.21 0.00 -0.55 0.00 0.00 66.41 63.31 3fj9 h THR 59 Cb 1.19 2.13 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 3fj9 h THR 59 CO 0.94 0.51 -0.77 -0.08 -0.25 0.00 0.00 175.52 175.87 3fj9 h GLU 60 N 0.00 0.62 0.00 4.72 4.57 -1.80 -3.38 114.58 119.31 3fj9 h GLU 60 Ca -0.01 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 3fj9 h GLU 60 Cb 1.08 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3fj9 h GLU 60 CO 0.07 1.21 -1.13 0.25 -1.18 0.00 0.00 179.01 178.23 3fj9 n THR 61 N -4.04 0.00 -0.66 0.32 -2.24 -1.23 -5.01 114.28 101.42 3fj9 n THR 61 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3fj9 n THR 61 Cb 0.74 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.64 1.24 3.78 3.38 0.00 0.51 -5.02 105.19 110.72 3fj9 n GLY 62 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 3.64 -0.15 1.61 -0.21 -1.26 -4.67 119.66 118.46 3fj9 s GLN 63 Ca 0.00 1.57 -0.08 0.00 0.02 0.00 0.00 55.36 56.88 3fj9 s GLN 63 Cb 0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 3fj9 s GLN 63 CO 0.00 -0.60 0.12 0.71 -2.12 0.00 0.00 175.29 173.40 3fj9 s TYR 64 N -1.76 3.49 0.10 0.91 1.51 0.66 -0.73 117.35 121.53 3fj9 s TYR 64 Ca 0.68 0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 56.85 3fj9 s TYR 64 Cb -0.23 -2.01 -0.08 0.00 -0.11 0.00 0.00 41.96 39.54 3fj9 s TYR 64 CO 0.27 0.55 1.40 -1.17 -1.11 0.00 0.00 175.55 175.49 3fj9 s LEU 65 N -0.51 4.36 0.10 -1.29 2.96 0.60 -0.43 118.68 124.48 3fj9 s LEU 65 Ca 0.12 2.31 -0.05 0.00 -0.22 0.00 0.00 54.13 56.30 3fj9 s LEU 65 Cb -0.12 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3fj9 s LEU 65 CO 0.02 -0.67 0.11 0.00 -1.32 0.00 0.00 176.35 174.49 3fj9 s ALA 66 N 1.29 0.27 -0.11 5.97 0.00 -0.03 -4.42 121.76 124.72 3fj9 s ALA 66 Ca 0.65 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3fj9 s ALA 66 Cb -0.36 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3fj9 s ALA 66 CO 0.30 -0.49 -0.17 1.41 0.00 0.00 0.00 175.76 176.81 3fj9 s MET 67 N -3.94 2.41 0.99 0.00 1.75 -0.99 -0.15 119.30 119.38 3fj9 s MET 67 Ca 0.12 -0.64 -0.17 0.00 -1.25 0.00 0.00 55.69 53.75 3fj9 s MET 67 Cb 0.06 -1.98 0.22 0.00 2.84 0.00 0.00 34.83 35.97 3fj9 s MET 67 CO -0.06 -0.01 1.32 0.16 -0.65 0.00 0.00 175.02 175.78 3fj9 s ASP 68 N 0.82 2.82 0.63 1.11 1.47 0.44 -4.79 116.67 119.17 3fj9 s ASP 68 Ca -0.10 0.25 0.35 0.00 1.18 0.00 0.00 52.55 54.23 3fj9 s ASP 68 Cb -0.16 -0.26 1.97 0.00 -0.34 0.00 0.00 42.92 44.13 3fj9 s ASP 68 CO 0.01 -2.92 2.21 0.00 0.68 0.00 0.00 175.17 175.15 3fj9 h THR 69 N -1.77 0.25 -0.55 2.11 1.03 -2.01 -0.31 112.91 111.66 3fj9 h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 3fj9 h THR 69 Cb 1.23 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 3fj9 h THR 69 CO 0.35 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.33 3fj9 n ASP 70 N -3.43 4.43 0.00 0.00 8.00 -1.26 -4.96 116.55 119.32 3fj9 n ASP 70 Ca -0.02 -2.48 0.00 0.00 0.71 0.00 0.00 54.79 53.00 3fj9 n ASP 70 Cb 0.19 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 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 0.79 0.59 3.78 0.44 0.00 -0.13 -4.63 105.19 106.04 3fj9 n GLY 71 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 4.41 0.31 0.99 1.43 -1.26 0.14 118.68 124.70 3fj9 s LEU 72 Ca 0.00 1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.85 3fj9 s LEU 72 Cb 0.00 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.37 3fj9 s LEU 72 CO 0.00 0.16 1.01 -0.76 0.23 0.00 0.00 176.35 176.99 3fj9 s LEU 73 N -0.32 4.41 0.11 1.79 1.43 -1.26 -0.42 118.68 124.42 3fj9 s LEU 73 Ca 0.27 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.26 3fj9 s LEU 73 Cb -0.17 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.20 3fj9 s LEU 73 CO 0.14 -0.14 0.31 -0.72 0.23 0.00 0.00 176.35 176.17 3fj9 s TYR 74 N -1.42 -0.04 -0.24 0.29 1.13 0.78 -4.51 117.35 113.35 3fj9 s TYR 74 Ca 0.49 -0.33 -0.18 0.00 -1.41 0.00 0.00 57.07 55.63 3fj9 s TYR 74 Cb -0.24 0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 3fj9 s TYR 74 CO 0.31 -0.64 0.52 0.20 -2.51 0.00 0.00 175.55 173.42 3fj9 s GLY 75 N -2.83 1.92 -0.14 5.49 0.00 -0.07 -0.85 107.32 110.83 3fj9 s GLY 75 Ca 0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.16 3fj9 s GLY 75 CO -0.11 1.18 0.13 -0.45 0.00 0.00 0.00 173.10 173.84 3fj9 s SER 76 N 1.40 6.23 0.44 1.64 0.15 0.43 -4.72 113.70 119.26 3fj9 s SER 76 Ca 0.22 0.36 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3fj9 s SER 76 Cb -0.16 -2.04 0.85 0.00 -1.71 0.00 0.00 66.02 62.97 3fj9 s SER 76 CO 0.09 0.33 1.79 1.56 1.20 0.00 0.00 173.24 178.22 3fj9 h GLN 77 N 5.56 0.00 -5.36 5.44 1.08 -1.91 0.19 115.11 120.11 3fj9 h GLN 77 Ca -0.50 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.29 3fj9 h GLN 77 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 3fj9 h GLN 77 CO 0.64 0.21 -0.77 0.95 -0.95 0.00 0.00 178.83 178.91 3fj9 s THR 78 N -3.56 1.15 -0.07 -0.54 -4.23 -1.26 -4.82 115.64 102.31 3fj9 s THR 78 Ca 0.01 -1.40 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 3fj9 s THR 78 Cb 0.10 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 3fj9 s THR 78 CO 0.64 -0.27 1.24 -2.16 -0.54 0.00 0.00 174.62 173.53 3fj9 s PRO 79 N -1.96 4.32 0.37 3.99 0.04 -1.26 -4.87 135.00 135.63 3fj9 s PRO 79 Ca 0.00 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.82 3fj9 s PRO 79 Cb -0.09 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 3fj9 s PRO 79 CO 0.02 -0.51 0.22 0.54 0.04 0.00 0.00 177.00 177.31 3fj9 s ASN 80 N 1.64 2.17 0.61 6.66 2.20 -1.26 -5.02 114.94 121.94 3fj9 s ASN 80 Ca 0.57 -1.74 0.41 0.00 -0.94 0.00 0.00 52.86 51.15 3fj9 s ASN 80 Cb -0.25 0.57 2.19 0.00 -2.00 0.00 0.00 41.25 41.76 3fj9 s ASN 80 CO 0.21 -1.03 2.25 1.05 -2.94 0.00 0.00 177.10 176.65 3fj9 h GLU 81 N 1.97 0.00 -0.00 3.55 9.09 -1.99 -0.04 114.58 127.16 3fj9 h GLU 81 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 3fj9 h GLU 81 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3fj9 h GLU 81 CO 0.44 0.00 -0.06 0.39 0.05 0.00 0.00 179.01 179.83 3fj9 n GLU 82 N -2.96 0.26 0.00 1.06 1.02 -1.26 -3.50 120.64 115.26 3fj9 n GLU 82 Ca -0.02 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3fj9 n GLU 82 Cb 0.08 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.48 4.27 -0.00 0.00 1.43 -1.23 -4.49 118.68 116.19 3fj9 s LEU 84 Ca 0.23 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 3fj9 s LEU 84 Cb 0.19 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3fj9 s LEU 84 CO 0.53 -0.16 -0.25 0.26 0.23 0.00 0.00 176.35 176.97 3fj9 s TRP 85 N 1.10 2.22 -0.46 0.29 0.52 -0.49 -1.27 118.94 120.85 3fj9 s TRP 85 Ca 0.35 -0.42 -0.21 0.00 0.02 0.00 0.00 56.10 55.84 3fj9 s TRP 85 Cb -0.17 -1.40 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3fj9 s TRP 85 CO 0.15 0.01 0.66 -0.51 0.02 0.00 0.00 176.95 177.27 3fj9 s LEU 86 N -0.76 4.59 -0.29 2.99 1.43 0.10 -0.50 118.68 126.24 3fj9 s LEU 86 Ca 0.10 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 3fj9 s LEU 86 Cb -0.10 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 3fj9 s LEU 86 CO -0.00 -0.84 0.67 -0.70 0.23 0.00 0.00 176.35 175.71 3fj9 s GLU 87 N 2.85 3.99 0.11 1.70 2.12 0.27 -1.89 118.70 127.84 3fj9 s GLU 87 Ca 0.21 0.46 0.04 0.00 0.36 0.00 0.00 54.97 56.04 3fj9 s GLU 87 Cb -0.15 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 3fj9 s GLU 87 CO 0.17 -0.54 -0.10 1.03 -0.54 0.00 0.00 175.26 175.28 3fj9 s ARG 88 N 2.65 0.90 0.44 4.30 1.81 -0.55 -4.67 118.95 123.82 3fj9 s ARG 88 Ca 0.27 -1.22 -0.22 0.00 -1.72 0.00 0.00 55.73 52.85 3fj9 s ARG 88 Cb -0.15 -0.57 -0.10 0.00 -0.45 0.00 0.00 34.95 33.68 3fj9 s ARG 88 CO 0.11 0.09 1.00 -1.17 -0.68 0.00 0.00 175.30 174.64 3fj9 s LEU 89 N -2.58 3.96 -0.06 2.53 2.96 -0.14 -0.56 118.68 124.80 3fj9 s LEU 89 Ca 0.08 1.85 -0.07 0.00 -0.22 0.00 0.00 54.13 55.77 3fj9 s LEU 89 Cb -0.02 -4.46 0.02 0.00 0.50 0.00 0.00 46.19 42.23 3fj9 s LEU 89 CO 0.00 -0.53 0.19 -0.70 -1.32 0.00 0.00 176.35 173.99 3fj9 s GLU 90 N -3.01 0.30 -1.38 1.98 2.56 0.08 -4.81 118.70 114.41 3fj9 s GLU 90 Ca 0.63 0.13 -0.11 0.00 0.00 0.00 0.00 54.97 55.61 3fj9 s GLU 90 Cb -0.15 0.14 0.09 0.00 2.00 0.00 0.00 34.13 36.21 3fj9 s GLU 90 CO 0.19 -0.05 0.60 0.39 -0.56 0.00 0.00 175.26 175.82 3fj9 n GLU 91 N 2.62 -3.63 -2.13 4.30 1.02 -1.26 -1.01 120.64 120.55 3fj9 n GLU 91 Ca -0.15 0.48 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 3fj9 n GLU 91 Cb 0.58 -5.22 -0.02 0.00 -0.02 0.00 0.00 31.44 26.76 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 -2.41 -4.29 0.04 1.62 4.13 -1.26 -4.61 115.26 108.49 3fj9 n ASN 92 Ca 0.01 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.47 3fj9 n ASN 92 Cb 0.53 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.06 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 -3.08 -2.42 -2.13 3.10 -0.00 -0.18 -5.16 115.22 105.36 3fj9 n HIS 93 Ca -0.17 0.27 -0.27 0.00 -0.00 0.00 0.00 57.72 57.55 3fj9 n HIS 93 Cb 0.59 1.06 0.12 0.00 -0.00 0.00 0.00 29.99 31.75 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 2.29 -0.09 1.57 1.51 -0.46 -4.81 117.35 115.36 3fj9 s TYR 94 Ca 0.00 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.40 3fj9 s TYR 94 Cb 0.00 -3.51 -0.03 0.00 -0.11 0.00 0.00 41.96 38.31 3fj9 s TYR 94 CO 0.00 -1.91 -0.06 -0.80 -1.11 0.00 0.00 175.55 171.67 3fj9 s ASN 95 N -4.68 4.68 0.18 2.29 -0.87 0.65 -0.74 114.94 116.45 3fj9 s ASN 95 Ca 0.66 -0.05 0.09 0.00 -1.57 0.00 0.00 52.86 51.98 3fj9 s ASN 95 Cb -0.08 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.25 39.75 3fj9 s ASN 95 CO 0.48 0.31 -0.18 0.42 -2.57 0.00 0.00 177.10 175.55 3fj9 s THR 96 N -0.47 1.90 -0.19 1.60 -4.23 0.28 -0.83 115.64 113.69 3fj9 s THR 96 Ca 0.07 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3fj9 s THR 96 Cb -0.12 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.84 3fj9 s THR 96 CO 0.02 -0.35 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.44 3fj9 s TYR 97 N -2.19 1.49 -0.12 3.99 2.02 -1.26 -1.48 117.35 119.81 3fj9 s TYR 97 Ca 0.18 -1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 55.74 3fj9 s TYR 97 Cb -0.05 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 3fj9 s TYR 97 CO 0.08 -0.64 0.06 0.42 -1.57 0.00 0.00 175.55 173.90 3fj9 s ILE 98 N 1.70 4.81 0.07 2.71 1.01 -0.80 -1.33 121.20 129.38 3fj9 s ILE 98 Ca -0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 3fj9 s ILE 98 Cb -0.17 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 3fj9 s ILE 98 CO -0.07 0.58 1.75 -0.55 0.00 0.00 0.00 174.94 176.65 3fj9 s SER 99 N -0.63 6.53 0.09 3.58 0.15 0.05 0.03 113.70 123.50 3fj9 s SER 99 Ca 0.11 2.57 -0.18 0.00 0.70 0.00 0.00 55.95 59.15 3fj9 s SER 99 Cb -0.12 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.56 3fj9 s SER 99 CO 0.02 -0.95 1.54 0.50 1.20 0.00 0.00 173.24 175.55 3fj9 h LYS 100 N 8.91 0.46 -0.62 5.44 3.64 -1.50 -0.68 116.57 132.21 3fj9 h LYS 100 Ca -0.44 -0.14 0.11 0.00 -1.27 0.00 0.00 60.65 58.91 3fj9 h LYS 100 Cb 1.21 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 3fj9 h LYS 100 CO 0.94 0.61 0.18 -0.22 -2.27 0.00 0.00 179.45 178.69 3fj9 h LYS 101 N 0.25 0.31 -0.78 1.90 3.11 -1.76 -2.24 116.57 117.36 3fj9 h LYS 101 Ca 0.08 -0.02 -0.50 0.00 -2.81 0.00 0.00 60.65 57.40 3fj9 h LYS 101 Cb 0.39 -0.07 -0.28 0.00 -1.00 0.00 0.00 32.23 31.27 3fj9 h LYS 101 CO 0.01 0.21 0.19 0.72 -2.81 0.00 0.00 179.45 177.77 3fj9 n HIS 102 N -5.08 2.55 -0.24 1.91 8.25 -1.17 -4.76 115.22 116.68 3fj9 n HIS 102 Ca 0.10 -2.30 0.04 0.00 -0.26 0.00 0.00 57.72 55.29 3fj9 n HIS 102 Cb 0.32 -0.87 0.28 0.00 1.12 0.00 0.00 29.99 30.84 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 1.64 1.56 0.00 -1.41 0.00 -0.48 -0.95 119.26 119.61 3fj9 h ALA 103 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fj9 h ALA 103 Cb 1.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fj9 h ALA 103 CO 1.02 0.34 0.00 1.05 0.00 0.00 0.00 179.25 181.65 3fj9 h GLU 104 N 0.94 0.00 -0.01 0.00 9.09 -1.85 -2.38 114.58 120.36 3fj9 h GLU 104 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3fj9 h GLU 104 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3fj9 h GLU 104 CO -0.11 0.00 -0.29 1.63 0.05 0.00 0.00 179.01 180.29 3fj9 n LYS 105 N -2.69 1.18 -3.47 1.06 5.02 -0.37 -4.99 118.16 113.90 3fj9 n LYS 105 Ca 0.01 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.27 3fj9 n LYS 105 Cb 0.24 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.18 -3.76 -4.64 4.39 4.13 -0.90 -4.95 115.26 109.35 3fj9 n ASN 106 Ca 0.12 -0.75 -0.37 0.00 1.68 0.00 0.00 54.58 55.26 3fj9 n ASN 106 Cb 0.41 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.87 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 -3.46 3.30 0.34 3.10 0.52 -1.25 -4.47 118.94 117.02 3fj9 s TRP 107 Ca 0.21 0.27 0.08 0.00 0.02 0.00 0.00 56.10 56.68 3fj9 s TRP 107 Cb -0.04 -2.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.89 3fj9 s TRP 107 CO 0.77 -0.01 0.10 -0.06 0.02 0.00 0.00 176.95 177.76 3fj9 s PHE 108 N 1.31 2.65 0.09 -1.98 0.40 -1.26 -0.77 117.98 118.41 3fj9 s PHE 108 Ca 0.09 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.73 3fj9 s PHE 108 Cb -0.14 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 3fj9 s PHE 108 CO 0.07 0.39 0.91 0.08 0.70 0.00 0.00 175.22 177.37 3fj9 s VAL 109 N -2.46 4.57 -0.19 -0.44 1.01 -0.44 -4.71 120.40 117.74 3fj9 s VAL 109 Ca 0.37 1.96 -0.25 0.00 0.00 0.00 0.00 61.98 64.06 3fj9 s VAL 109 Cb -0.01 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3fj9 s VAL 109 CO 0.21 0.32 0.66 -0.83 0.00 0.00 0.00 175.10 175.46 3fj9 s GLY 110 N 0.03 -0.51 -0.09 4.51 0.00 -1.26 -4.42 107.32 105.58 3fj9 s GLY 110 Ca 0.45 1.67 0.04 0.00 0.00 0.00 0.00 44.72 46.87 3fj9 s GLY 110 CO 0.28 1.38 -0.21 1.08 0.00 0.00 0.00 173.10 175.63 3fj9 s LEU 111 N -0.15 2.30 0.81 0.66 1.43 -0.64 -0.36 118.68 122.73 3fj9 s LEU 111 Ca -0.04 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 3fj9 s LEU 111 Cb -0.03 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.81 3fj9 s LEU 111 CO 0.04 0.21 1.12 -0.54 0.23 0.00 0.00 176.35 177.41 3fj9 s LYS 112 N 0.08 1.95 0.50 1.70 1.02 0.60 -4.51 119.74 121.08 3fj9 s LYS 112 Ca -0.09 0.41 0.17 0.00 0.02 0.00 0.00 55.97 56.48 3fj9 s LYS 112 Cb -0.15 -1.92 1.24 0.00 -0.52 0.00 0.00 37.83 36.47 3fj9 s LYS 112 CO 0.06 -1.67 2.10 0.87 -0.92 0.00 0.00 175.35 175.79 3fj9 h LYS 113 N -1.12 0.09 -0.08 1.68 1.57 -1.88 -1.27 116.57 115.56 3fj9 h LYS 113 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3fj9 h LYS 113 Cb 1.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3fj9 h LYS 113 CO 0.62 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.83 3fj9 n ASN 114 N -4.49 0.62 0.00 0.86 0.23 -1.26 -4.57 115.26 106.65 3fj9 n ASN 114 Ca 0.01 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3fj9 n ASN 114 Cb 0.22 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.83 0.74 3.88 4.83 0.00 -0.48 -5.00 105.19 109.99 3fj9 n GLY 115 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.44 6.60 0.53 1.61 1.04 -1.26 -0.94 113.70 118.83 3fj9 s SER 116 Ca 0.00 0.76 -0.20 0.00 0.48 0.00 0.00 55.95 56.99 3fj9 s SER 116 Cb 0.00 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 3fj9 s SER 116 CO 0.00 0.10 1.11 0.00 0.98 0.00 0.00 173.24 175.43 3fj9 s LYS 118 N -3.25 3.83 0.35 0.00 1.02 0.51 -4.81 119.74 117.40 3fj9 s LYS 118 Ca 0.71 0.28 -0.25 0.00 0.02 0.00 0.00 55.97 56.72 3fj9 s LYS 118 Cb -0.22 -3.06 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 3fj9 s LYS 118 CO 0.25 0.59 0.99 0.50 -0.92 0.00 0.00 175.35 176.76 3fj9 s ARG 119 N -1.67 4.43 0.14 1.68 3.52 -1.26 -4.63 118.95 121.16 3fj9 s ARG 119 Ca 0.31 1.40 -0.27 0.00 -0.13 0.00 0.00 55.73 57.03 3fj9 s ARG 119 Cb -0.15 -2.69 -0.06 0.00 -1.56 0.00 0.00 34.95 30.49 3fj9 s ARG 119 CO 0.17 0.12 1.37 0.41 -0.81 0.00 0.00 175.30 176.55 3fj9 n GLY 120 N 0.44 -2.34 0.29 8.12 0.00 0.12 -0.68 105.19 111.14 3fj9 n GLY 120 Ca 0.03 1.06 0.17 0.00 0.00 0.00 0.00 46.02 47.27 3fj9 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fj9 h PRO 121 N 0.00 0.00 -0.02 1.61 0.11 -1.88 -1.34 132.00 130.49 3fj9 h PRO 121 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3fj9 h PRO 121 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3fj9 h PRO 121 CO -0.83 0.00 -0.09 0.54 -0.21 0.00 0.00 178.00 177.41 3fj9 n ARG 122 N -2.77 1.52 -3.83 1.05 5.12 0.14 -4.88 116.66 113.02 3fj9 n ARG 122 Ca -0.02 -0.98 -0.20 0.00 -1.93 0.00 0.00 57.85 54.71 3fj9 n ARG 122 Cb 0.19 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.00 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 -2.15 4.78 -0.19 0.55 -4.23 -0.50 -4.95 115.64 108.94 3fj9 s THR 123 Ca 0.32 -1.04 -0.34 0.00 -1.18 0.00 0.00 61.69 59.45 3fj9 s THR 123 Cb 0.20 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 70.52 3fj9 s THR 123 CO 0.39 -0.28 1.19 -1.38 -0.54 0.00 0.00 174.62 174.01 3fj9 s HIS 124 N -2.06 -0.15 0.45 3.99 -3.43 -1.26 -4.83 115.29 108.00 3fj9 s HIS 124 Ca 0.37 0.11 -0.23 0.00 -0.80 0.00 0.00 55.06 54.51 3fj9 s HIS 124 Cb -0.09 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.48 3fj9 s HIS 124 CO 0.29 -0.22 1.03 0.66 -2.00 0.00 0.00 174.74 174.51 3fj9 n TYR 125 N -0.02 1.21 0.00 0.38 4.01 -1.26 -2.62 117.16 118.87 3fj9 n TYR 125 Ca -0.01 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 3fj9 n TYR 125 Cb 0.58 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.38 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 1.16 1.14 3.89 2.72 0.00 -1.26 -5.07 105.19 107.77 3fj9 n GLY 126 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.77 3.44 0.08 1.61 -0.21 -1.08 -4.98 119.66 117.75 3fj9 s GLN 127 Ca 0.00 0.40 0.11 0.00 0.02 0.00 0.00 55.36 55.89 3fj9 s GLN 127 Cb 0.00 -2.23 -0.17 0.00 1.00 0.00 0.00 33.01 31.62 3fj9 s GLN 127 CO 0.00 -0.46 1.04 0.87 -2.12 0.00 0.00 175.29 174.62 3fj9 h LYS 128 N -0.09 0.00 -0.06 2.91 1.79 -1.97 -3.35 116.57 115.79 3fj9 h LYS 128 Ca -0.45 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.03 3fj9 h LYS 128 Cb 1.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3fj9 h LYS 128 CO 0.62 0.66 0.07 0.00 -1.08 0.00 0.00 179.45 179.72 3fj9 h ALA 129 N 1.13 1.65 -0.01 3.86 0.00 -1.94 -2.34 119.26 121.62 3fj9 h ALA 129 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fj9 h ALA 129 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3fj9 h ALA 129 CO 0.09 -0.10 -0.20 0.44 0.00 0.00 0.00 179.25 179.48 3fj9 n ILE 130 N -3.88 0.00 -3.01 0.00 -5.35 -1.26 -1.62 119.36 104.24 3fj9 n ILE 130 Ca -0.01 -0.20 -0.41 0.00 -0.27 0.00 0.00 62.75 61.85 3fj9 n ILE 130 Cb 0.16 0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.33 4.08 0.21 7.28 1.43 -0.88 -4.42 118.68 124.04 3fj9 s LEU 131 Ca 0.27 0.79 0.10 0.00 -1.03 0.00 0.00 54.13 54.27 3fj9 s LEU 131 Cb 0.20 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3fj9 s LEU 131 CO 0.46 -0.46 -0.20 -0.36 0.23 0.00 0.00 176.35 176.03 3fj9 s PHE 132 N 2.69 2.04 -0.10 0.29 0.40 -0.01 -3.68 117.98 119.61 3fj9 s PHE 132 Ca 0.30 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 3fj9 s PHE 132 Cb -0.15 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.43 3fj9 s PHE 132 CO 0.09 0.48 -0.10 -0.51 0.70 0.00 0.00 175.22 175.87 3fj9 s LEU 133 N -2.99 1.42 -0.14 -0.37 1.43 0.11 -0.25 118.68 117.90 3fj9 s LEU 133 Ca 0.22 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3fj9 s LEU 133 Cb -0.05 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 3fj9 s LEU 133 CO 0.10 -0.05 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 3fj9 s PRO 134 N 1.30 4.35 0.11 1.29 0.04 -1.26 -0.89 135.00 139.94 3fj9 s PRO 134 Ca -0.02 1.46 0.09 0.00 0.04 0.00 0.00 61.00 62.57 3fj9 s PRO 134 Cb -0.14 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 3fj9 s PRO 134 CO -0.04 -0.47 -0.21 -0.51 0.04 0.00 0.00 177.00 175.81 3fj9 s LEU 135 N 2.53 2.57 0.68 -3.56 1.43 0.76 -4.90 118.68 118.20 3fj9 s LEU 135 Ca 0.49 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 3fj9 s LEU 135 Cb -0.19 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3fj9 s LEU 135 CO 0.15 0.19 1.23 -2.84 0.23 0.00 0.00 176.35 175.32 3fj9 s PRO 136 N -1.98 2.41 0.00 1.29 0.02 -1.26 0.30 135.00 135.79 3fj9 s PRO 136 Ca 0.16 1.87 0.30 0.00 0.02 0.00 0.00 61.00 63.35 3fj9 s PRO 136 Cb -0.10 -1.85 1.44 0.00 0.02 0.00 0.00 34.50 34.00 3fj9 s PRO 136 CO 0.08 -1.65 1.96 1.33 -0.33 0.00 0.00 177.00 178.39