#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj9 s ALA 11 N 0.00 3.80 0.10 1.79 0.00 -1.26 -2.85 121.76 123.34 3gj9 s ALA 11 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3gj9 s ALA 11 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3gj9 s ALA 11 CO 0.00 0.52 0.12 0.54 0.00 0.00 0.00 175.76 176.94 3gj9 s VAL 12 N -0.83 4.70 -0.17 0.00 0.11 -0.96 -4.87 120.40 118.38 3gj9 s VAL 12 Ca 0.17 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.40 3gj9 s VAL 12 Cb -0.13 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 3gj9 s VAL 12 CO 0.06 0.07 -0.01 0.54 -3.33 0.00 0.00 175.10 172.43 3gj9 s VAL 13 N -1.50 4.09 0.05 2.04 0.11 -1.26 -1.54 120.40 122.39 3gj9 s VAL 13 Ca 0.31 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3gj9 s VAL 13 Cb -0.12 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.89 3gj9 s VAL 13 CO 0.24 0.47 0.03 -1.10 -3.33 0.00 0.00 175.10 171.41 3gj9 s GLN 14 N 0.49 0.60 -0.09 1.54 -0.21 0.15 -4.98 119.66 117.15 3gj9 s GLN 14 Ca -0.02 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.39 3gj9 s GLN 14 Cb -0.14 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 3gj9 s GLN 14 CO 0.02 -0.13 -0.13 -0.98 -2.12 0.00 0.00 175.29 171.95 3gj9 s ARG 15 N -3.26 2.95 -0.09 2.91 1.70 -1.26 0.21 118.95 122.11 3gj9 s ARG 15 Ca 0.01 -0.67 0.04 0.00 -0.47 0.00 0.00 55.73 54.63 3gj9 s ARG 15 Cb 0.03 -2.52 -0.01 0.00 -0.57 0.00 0.00 34.95 31.88 3gj9 s ARG 15 CO -0.08 0.43 -0.21 0.08 -1.08 0.00 0.00 175.30 174.44 3gj9 s VAL 16 N -0.22 2.36 -0.24 4.99 1.01 0.33 -4.96 120.40 123.66 3gj9 s VAL 16 Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3gj9 s VAL 16 Cb -0.13 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3gj9 s VAL 16 CO 0.03 0.56 -0.06 -0.70 0.00 0.00 0.00 175.10 174.92 3gj9 s GLU 17 N 0.09 2.94 -0.20 2.72 2.12 -1.26 0.65 118.70 125.77 3gj9 s GLU 17 Ca -0.10 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 54.30 3gj9 s GLU 17 Cb -0.16 -2.97 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 3gj9 s GLU 17 CO 0.06 -0.36 -0.09 0.42 -0.54 0.00 0.00 175.26 174.76 3gj9 s ILE 18 N 1.35 3.09 -0.24 -3.70 1.01 -0.53 -4.81 121.20 117.37 3gj9 s ILE 18 Ca 0.02 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 3gj9 s ILE 18 Cb -0.16 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 3gj9 s ILE 18 CO -0.05 0.46 0.72 -1.00 0.00 0.00 0.00 174.94 175.08 3gj9 s HIS 19 N 1.24 3.31 0.78 3.97 3.76 -1.26 -1.87 115.29 125.21 3gj9 s HIS 19 Ca 0.03 0.98 -0.14 0.00 -0.15 0.00 0.00 55.06 55.78 3gj9 s HIS 19 Cb -0.14 -2.93 0.06 0.00 1.11 0.00 0.00 32.58 30.68 3gj9 s HIS 19 CO -0.03 -0.33 1.23 0.15 -0.85 0.00 0.00 174.74 174.90 3gj9 s LYS 20 N 2.55 1.80 -0.28 1.40 1.02 0.01 -4.86 119.74 121.38 3gj9 s LYS 20 Ca 0.31 1.83 -0.11 0.00 0.02 0.00 0.00 55.97 58.02 3gj9 s LYS 20 Cb -0.15 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3gj9 s LYS 20 CO 0.08 -2.11 0.18 -1.17 -0.92 0.00 0.00 175.35 171.41 3gj9 s LEU 21 N -5.44 3.99 -0.85 3.17 1.98 0.12 -4.86 118.68 116.80 3gj9 s LEU 21 Ca 0.75 -0.09 -0.23 0.00 -2.89 0.00 0.00 54.13 51.67 3gj9 s LEU 21 Cb -0.31 -2.09 0.06 0.00 0.66 0.00 0.00 46.19 44.51 3gj9 s LEU 21 CO 0.48 -0.07 1.24 -0.13 -1.89 0.00 0.00 176.35 175.98 3gj9 s ARG 22 N 1.73 3.38 -0.75 1.98 0.52 -1.26 -0.50 118.95 124.04 3gj9 s ARG 22 Ca 0.07 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.19 3gj9 s ARG 22 Cb -0.16 -4.71 0.20 0.00 0.52 0.00 0.00 34.95 30.80 3gj9 s ARG 22 CO 0.10 -2.03 0.70 -1.14 0.02 0.00 0.00 175.30 172.95 3gj9 s GLN 23 N 4.55 3.44 4.17 3.54 -0.44 0.85 -4.90 119.66 130.87 3gj9 s GLN 23 Ca 0.35 -2.27 0.00 0.00 -2.50 0.00 0.00 55.36 50.95 3gj9 s GLN 23 Cb -0.07 -4.39 0.00 0.00 -1.64 0.00 0.00 33.01 26.91 3gj9 s GLN 23 CO 0.01 -1.30 0.00 0.41 0.50 0.00 0.00 175.29 174.91 3gj9 n GLY 24 N 4.30 1.05 0.10 2.59 0.00 -1.26 -1.01 105.19 110.97 3gj9 n GLY 24 Ca 0.06 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.43 3gj9 n GLY 24 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gj9 n GLU 25 N 0.00 1.16 -4.09 1.61 0.00 -1.26 -5.01 120.64 113.04 3gj9 n GLU 25 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 57.16 55.73 3gj9 n GLU 25 Cb 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 31.44 30.32 3gj9 n GLU 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3gj9 s ASN 26 N -0.59 5.39 -0.25 -1.84 0.01 -0.18 -5.10 114.94 112.38 3gj9 s ASN 26 Ca 0.03 -0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.14 3gj9 s ASN 26 Cb 0.02 -1.42 0.03 0.00 0.41 0.00 0.00 41.25 40.29 3gj9 s ASN 26 CO 0.03 0.19 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.98 3gj9 s LEU 27 N -2.25 3.17 -0.11 0.60 1.43 -1.26 -0.11 118.68 120.16 3gj9 s LEU 27 Ca 0.27 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 3gj9 s LEU 27 Cb -0.12 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3gj9 s LEU 27 CO 0.19 -0.13 0.06 -0.63 0.23 0.00 0.00 176.35 176.08 3gj9 s ILE 28 N 1.30 4.84 -0.17 -0.59 1.01 0.34 -4.83 121.20 123.10 3gj9 s ILE 28 Ca -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 60.65 60.74 3gj9 s ILE 28 Cb -0.17 -3.08 -0.20 0.00 0.01 0.00 0.00 42.46 39.02 3gj9 s ILE 28 CO -0.05 0.60 0.03 0.18 0.00 0.00 0.00 174.94 175.70 3gj9 n LEU 29 N 2.21 0.28 -0.29 2.97 4.77 -1.26 0.15 117.00 125.83 3gj9 n LEU 29 Ca -0.19 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3gj9 n LEU 29 Cb 0.54 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3gj9 n LEU 29 CO 0.30 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3gj9 n GLY 30 N 2.01 0.92 3.67 -0.72 0.00 -1.26 -1.25 105.19 108.56 3gj9 n GLY 30 Ca -0.28 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 3gj9 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gj9 s PHE 31 N -2.58 -0.32 0.16 1.61 -0.12 -1.26 -1.52 117.98 113.95 3gj9 s PHE 31 Ca 0.00 -0.02 0.09 0.00 -0.05 0.00 0.00 56.93 56.95 3gj9 s PHE 31 Cb 0.00 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 3gj9 s PHE 31 CO 0.00 -1.01 -0.20 -1.12 -0.05 0.00 0.00 175.22 172.85 3gj9 s SER 32 N -2.83 2.78 0.20 1.98 0.01 0.18 -4.95 113.70 111.08 3gj9 s SER 32 Ca 0.07 -0.84 0.09 0.00 1.31 0.00 0.00 55.95 56.58 3gj9 s SER 32 Cb -0.03 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 3gj9 s SER 32 CO -0.02 0.00 -0.16 0.27 0.41 0.00 0.00 173.24 173.74 3gj9 s ILE 33 N -1.85 1.85 0.04 1.44 -4.36 -1.26 -0.63 121.20 116.43 3gj9 s ILE 33 Ca 0.15 -2.13 -0.09 0.00 -0.26 0.00 0.00 60.65 58.32 3gj9 s ILE 33 Cb -0.07 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.64 3gj9 s ILE 33 CO 0.07 -0.48 0.18 -0.83 0.24 0.00 0.00 174.94 174.12 3gj9 s GLY 34 N -3.11 0.05 0.00 6.27 0.00 -0.46 -4.81 107.32 105.26 3gj9 s GLY 34 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3gj9 s GLY 34 CO 0.08 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.30 3gj9 n GLY 35 N 0.72 -0.09 0.00 0.20 0.00 -1.26 -0.75 105.19 104.01 3gj9 n GLY 35 Ca -0.19 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.56 3gj9 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj9 n GLY 36 N -0.26 3.12 0.32 -0.02 0.00 0.10 -4.07 105.19 104.38 3gj9 n GLY 36 Ca 0.00 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.47 3gj9 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gj9 h ILE 37 N 0.00 0.87 -0.10 -0.61 3.07 -1.36 -0.42 117.51 118.95 3gj9 h ILE 37 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3gj9 h ILE 37 Cb 0.00 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.42 3gj9 h ILE 37 CO 0.00 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.20 3gj9 n ASP 38 N -4.45 1.27 -4.29 2.16 5.75 -1.26 -4.84 116.55 110.89 3gj9 n ASP 38 Ca 0.03 -2.08 -0.18 0.00 -0.01 0.00 0.00 54.79 52.55 3gj9 n ASP 38 Cb 0.34 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 3gj9 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gj9 s GLN 39 N -1.50 1.15 -0.65 0.11 -1.52 -0.17 -4.97 119.66 112.11 3gj9 s GLN 39 Ca 0.08 -1.40 -0.27 0.00 -1.95 0.00 0.00 55.36 51.81 3gj9 s GLN 39 Cb 0.05 -0.97 0.01 0.00 -0.22 0.00 0.00 33.01 31.88 3gj9 s GLN 39 CO 0.03 0.17 1.47 0.34 -0.25 0.00 0.00 175.29 177.06 3gj9 s ASP 40 N -2.87 5.93 0.66 5.90 2.15 -1.26 -4.85 116.67 122.33 3gj9 s ASP 40 Ca 0.15 -0.00 0.43 0.00 0.43 0.00 0.00 52.55 53.56 3gj9 s ASP 40 Cb -0.02 -2.55 2.36 0.00 -0.30 0.00 0.00 42.92 42.41 3gj9 s ASP 40 CO 0.04 -1.93 2.36 1.55 -0.17 0.00 0.00 175.17 177.02 3gj9 h PRO 41 N 11.62 0.00 0.00 4.34 0.13 -1.83 -2.67 132.00 143.59 3gj9 h PRO 41 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3gj9 h PRO 41 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gj9 h PRO 41 CO 1.23 0.00 -0.11 0.66 -0.23 0.00 0.00 178.00 179.55 3gj9 h SER 42 N 0.00 0.00 -0.50 1.44 4.64 -1.81 -2.97 113.55 114.35 3gj9 h SER 42 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3gj9 h SER 42 Cb 0.01 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.96 3gj9 h SER 42 CO 0.00 0.11 0.44 0.00 -0.87 0.00 0.00 176.83 176.51 3gj9 n GLN 43 N -3.35 1.84 -3.92 4.77 6.02 -1.01 -4.79 117.38 116.95 3gj9 n GLN 43 Ca -0.01 -1.65 -0.30 0.00 -0.01 0.00 0.00 57.00 55.03 3gj9 n GLN 43 Cb 0.31 -1.65 -0.15 0.00 1.02 0.00 0.00 30.24 29.77 3gj9 n GLN 43 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3gj9 s ASN 44 N 0.07 4.12 0.30 1.08 3.04 -1.12 -4.99 114.94 117.43 3gj9 s ASN 44 Ca 0.33 -1.51 0.25 0.00 0.04 0.00 0.00 52.86 51.97 3gj9 s ASN 44 Cb 0.26 -1.23 0.98 0.00 -1.54 0.00 0.00 41.25 39.71 3gj9 s ASN 44 CO -0.00 -0.30 1.76 1.55 -3.04 0.00 0.00 177.10 177.06 3gj9 h PRO 45 N 7.89 0.00 0.00 0.43 0.13 -1.90 -3.27 132.00 135.28 3gj9 h PRO 45 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3gj9 h PRO 45 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3gj9 h PRO 45 CO 0.45 0.00 -0.83 1.19 -0.23 0.00 0.00 178.00 178.58 3gj9 n PHE 46 N -2.39 0.18 -3.70 1.56 3.72 -1.26 -4.89 117.46 110.67 3gj9 n PHE 46 Ca 0.03 0.05 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 3gj9 n PHE 46 Cb 0.29 -0.34 -0.07 0.00 -0.94 0.00 0.00 39.48 38.42 3gj9 n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3gj9 s SER 47 N -3.56 6.33 0.06 4.37 1.04 -1.23 -4.98 113.70 115.73 3gj9 s SER 47 Ca 0.07 0.38 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 3gj9 s SER 47 Cb 0.15 -2.12 -0.17 0.00 0.10 0.00 0.00 66.02 63.99 3gj9 s SER 47 CO 0.77 0.21 1.59 1.05 0.98 0.00 0.00 173.24 177.85 3gj9 h GLU 48 N 6.24 -0.04 -5.98 4.02 9.09 -1.90 -3.39 114.58 122.62 3gj9 h GLU 48 Ca -0.44 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.39 3gj9 h GLU 48 Cb 1.17 0.01 -0.07 0.00 -1.65 0.00 0.00 28.75 28.21 3gj9 h GLU 48 CO 0.72 0.11 0.65 0.34 0.05 0.00 0.00 179.01 180.87 3gj9 s ASP 49 N -5.30 7.00 -0.00 3.06 -1.08 -1.26 -4.92 116.67 114.17 3gj9 s ASP 49 Ca -0.14 1.25 0.02 0.00 -0.52 0.00 0.00 52.55 53.16 3gj9 s ASP 49 Cb 0.05 -2.50 0.05 0.00 -1.46 0.00 0.00 42.92 39.06 3gj9 s ASP 49 CO 0.66 -0.59 1.00 0.29 0.52 0.00 0.00 175.17 177.05 3gj9 n LYS 50 N 6.07 1.14 -0.01 4.34 4.76 -1.26 -2.75 118.16 130.44 3gj9 n LYS 50 Ca 0.09 -0.20 0.07 0.00 -2.87 0.00 0.00 58.31 55.41 3gj9 n LYS 50 Cb 0.47 -1.09 -0.13 0.00 -1.84 0.00 0.00 35.03 32.44 3gj9 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3gj9 n THR 51 N -0.31 0.08 -1.61 -0.18 -2.24 -1.26 -2.52 114.28 106.24 3gj9 n THR 51 Ca 0.02 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 60.92 3gj9 n THR 51 Cb 0.07 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 3gj9 n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gj9 n ASP 52 N -2.13 3.21 -1.40 3.42 4.64 -1.11 -4.77 116.55 118.42 3gj9 n ASP 52 Ca -0.05 0.62 0.08 0.00 -1.38 0.00 0.00 54.79 54.06 3gj9 n ASP 52 Cb 0.49 -1.42 0.33 0.00 -1.04 0.00 0.00 41.12 39.48 3gj9 n ASP 52 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3gj9 n LYS 53 N 7.72 3.88 -0.35 -0.67 5.02 -1.26 -4.67 118.16 127.83 3gj9 n LYS 53 Ca 0.28 -2.96 -0.20 0.00 -2.02 0.00 0.00 58.31 53.41 3gj9 n LYS 53 Cb 0.34 -2.01 0.19 0.00 -0.02 0.00 0.00 35.03 33.53 3gj9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gj9 n GLY 54 N 0.22 -3.44 3.79 0.72 0.00 -1.26 0.02 105.19 105.24 3gj9 n GLY 54 Ca 0.24 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 3gj9 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj9 s ILE 55 N -1.96 5.29 0.07 -0.61 -1.09 -1.26 -2.48 121.20 119.16 3gj9 s ILE 55 Ca 0.46 0.52 0.05 0.00 -2.23 0.00 0.00 60.65 59.45 3gj9 s ILE 55 Cb -0.07 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3gj9 s ILE 55 CO 0.37 0.50 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.13 3gj9 s TYR 56 N -0.32 1.27 -0.39 3.97 2.02 0.07 -0.76 117.35 123.22 3gj9 s TYR 56 Ca 0.18 -0.46 -0.25 0.00 -0.37 0.00 0.00 57.07 56.17 3gj9 s TYR 56 Cb -0.14 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 3gj9 s TYR 56 CO 0.06 0.07 0.89 0.08 -1.57 0.00 0.00 175.55 175.08 3gj9 s VAL 57 N -1.27 4.60 -0.55 0.71 1.01 0.56 -1.35 120.40 124.12 3gj9 s VAL 57 Ca -0.01 1.03 0.22 0.00 0.00 0.00 0.00 61.98 63.22 3gj9 s VAL 57 Cb -0.10 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 3gj9 s VAL 57 CO 0.02 -0.57 0.85 0.35 0.00 0.00 0.00 175.10 175.75 3gj9 n THR 58 N 6.02 0.09 -3.69 3.92 -2.24 0.19 0.63 114.28 119.20 3gj9 n THR 58 Ca 0.06 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3gj9 n THR 58 Cb 0.48 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 3gj9 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gj9 s ARG 59 N -3.24 0.73 -0.21 -0.78 0.52 -1.19 -4.87 118.95 109.91 3gj9 s ARG 59 Ca 0.02 0.20 -0.05 0.00 -0.52 0.00 0.00 55.73 55.38 3gj9 s ARG 59 Cb 0.15 0.34 0.08 0.00 0.52 0.00 0.00 34.95 36.03 3gj9 s ARG 59 CO 0.85 -0.18 0.11 0.08 0.02 0.00 0.00 175.30 176.18 3gj9 s VAL 60 N -0.77 -0.09 0.35 3.52 1.01 -1.26 -0.64 120.40 122.51 3gj9 s VAL 60 Ca -0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 3gj9 s VAL 60 Cb -0.03 -0.71 -0.11 0.00 0.00 0.00 0.00 36.38 35.52 3gj9 s VAL 60 CO 0.04 -0.43 1.49 -0.44 0.00 0.00 0.00 175.10 175.77 3gj9 s SER 61 N 2.14 6.40 0.17 3.32 0.01 -0.57 -4.93 113.70 120.23 3gj9 s SER 61 Ca 0.05 2.99 -0.31 0.00 1.31 0.00 0.00 55.95 59.98 3gj9 s SER 61 Cb -0.16 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.32 3gj9 s SER 61 CO -0.19 -0.85 1.43 -1.61 0.41 0.00 0.00 173.24 172.44 3gj9 s GLU 62 N -1.68 4.29 -1.44 12.44 0.41 -1.26 -2.37 118.70 129.09 3gj9 s GLU 62 Ca 0.55 2.20 0.00 0.00 -0.41 0.00 0.00 54.97 57.30 3gj9 s GLU 62 Cb -0.46 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 3gj9 s GLU 62 CO 0.58 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 175.32 3gj9 n GLY 63 N 3.05 1.43 3.99 -1.39 0.00 -1.26 -5.00 105.19 106.00 3gj9 n GLY 63 Ca 0.10 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 3gj9 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gj9 s GLY 64 N -2.84 1.80 0.10 -0.02 0.00 -1.00 -4.94 107.32 100.42 3gj9 s GLY 64 Ca 0.00 -1.58 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 3gj9 s GLY 64 CO 0.00 -1.19 1.73 -2.55 0.00 0.00 0.00 173.10 171.09 3gj9 h PRO 65 N -0.08 -0.01 -0.43 2.90 0.11 -1.87 -2.20 132.00 130.43 3gj9 h PRO 65 Ca -0.39 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3gj9 h PRO 65 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3gj9 h PRO 65 CO 0.46 -0.00 0.25 0.00 -0.21 0.00 0.00 178.00 178.50 3gj9 h ALA 66 N 1.05 0.55 -0.60 -0.75 0.00 -1.41 0.40 119.26 118.51 3gj9 h ALA 66 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gj9 h ALA 66 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gj9 h ALA 66 CO -0.06 -0.07 0.34 1.49 0.00 0.00 0.00 179.25 180.94 3gj9 h GLU 67 N 0.51 0.82 0.00 0.00 4.81 -1.73 -1.53 114.58 117.46 3gj9 h GLU 67 Ca 0.17 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3gj9 h GLU 67 Cb 0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3gj9 h GLU 67 CO -0.08 0.62 -0.30 0.82 -0.73 0.00 0.00 179.01 179.33 3gj9 h ILE 68 N 0.81 1.08 0.00 2.32 2.04 -1.07 -2.81 117.51 119.88 3gj9 h ILE 68 Ca 0.21 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3gj9 h ILE 68 Cb 0.03 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3gj9 h ILE 68 CO -0.04 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.41 3gj9 h ALA 69 N 1.70 1.00 0.00 1.87 0.00 -0.07 -3.47 119.26 120.29 3gj9 h ALA 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gj9 h ALA 69 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gj9 h ALA 69 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3gj9 n GLY 70 N 1.08 1.46 3.69 0.00 0.00 -0.66 -4.59 105.19 106.17 3gj9 n GLY 70 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3gj9 n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gj9 n LEU 71 N 0.00 3.34 -4.18 0.99 0.00 -0.72 -4.99 117.00 111.44 3gj9 n LEU 71 Ca 0.00 1.18 -0.22 0.00 0.00 0.00 0.00 56.01 56.97 3gj9 n LEU 71 Cb 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 43.42 41.82 3gj9 n LEU 71 CO 0.00 -0.50 -0.49 -1.10 0.00 0.00 0.00 177.39 175.30 3gj9 s GLN 72 N -1.26 1.13 0.42 1.96 -0.21 -1.26 -4.55 119.66 115.89 3gj9 s GLN 72 Ca 0.61 -0.81 -0.26 0.00 0.02 0.00 0.00 55.36 54.92 3gj9 s GLN 72 Cb -0.60 -1.18 -0.10 0.00 1.00 0.00 0.00 33.01 32.13 3gj9 s GLN 72 CO 0.57 0.30 1.38 -0.89 -2.12 0.00 0.00 175.29 174.53 3gj9 n ILE 73 N 1.95 2.49 -0.13 1.08 5.41 -1.26 -1.90 119.36 127.00 3gj9 n ILE 73 Ca -0.17 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.08 3gj9 n ILE 73 Cb 0.54 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 3gj9 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gj9 n GLY 74 N 0.64 1.42 3.77 7.39 0.00 0.21 -4.99 105.19 113.62 3gj9 n GLY 74 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3gj9 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gj9 s ASP 75 N -3.06 6.53 -0.25 1.61 1.01 -0.80 -4.69 116.67 117.01 3gj9 s ASP 75 Ca 0.00 2.60 -0.09 0.00 0.71 0.00 0.00 52.55 55.77 3gj9 s ASP 75 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3gj9 s ASP 75 CO 0.00 -0.69 0.12 -0.75 0.21 0.00 0.00 175.17 174.06 3gj9 s LYS 76 N -2.08 3.84 -0.58 8.23 2.20 -0.55 -0.32 119.74 130.48 3gj9 s LYS 76 Ca 0.54 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 55.49 3gj9 s LYS 76 Cb -0.37 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 3gj9 s LYS 76 CO 0.48 -0.10 1.18 0.42 -0.36 0.00 0.00 175.35 176.96 3gj9 s ILE 77 N 1.46 4.04 -0.08 5.43 1.01 0.06 -2.13 121.20 130.99 3gj9 s ILE 77 Ca 0.06 0.84 -0.24 0.00 0.00 0.00 0.00 60.65 61.32 3gj9 s ILE 77 Cb -0.15 -4.72 -0.19 0.00 0.01 0.00 0.00 42.46 37.41 3gj9 s ILE 77 CO 0.06 -1.34 0.88 0.24 0.00 0.00 0.00 174.94 174.78 3gj9 h MET 78 N 9.54 -0.07 -3.20 2.79 2.86 -0.46 -3.40 114.93 122.99 3gj9 h MET 78 Ca -0.25 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3gj9 h MET 78 Cb 1.06 0.02 -0.17 0.00 0.06 0.00 0.00 31.60 32.56 3gj9 h MET 78 CO 1.18 0.55 -0.21 1.14 1.06 0.00 0.00 176.91 180.63 3gj9 s GLN 79 N -3.08 0.83 -0.14 1.72 -2.07 -1.09 0.61 119.66 116.43 3gj9 s GLN 79 Ca -0.15 -0.44 -0.00 0.00 -1.82 0.00 0.00 55.36 52.95 3gj9 s GLN 79 Cb -0.01 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 3gj9 s GLN 79 CO 0.57 -0.27 -0.10 0.08 -1.32 0.00 0.00 175.29 174.25 3gj9 s VAL 80 N -2.41 1.30 -1.42 3.63 1.01 0.16 -1.08 120.40 121.60 3gj9 s VAL 80 Ca -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3gj9 s VAL 80 Cb -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3gj9 s VAL 80 CO -0.02 0.36 0.35 0.59 0.00 0.00 0.00 175.10 176.37 3gj9 n ASN 81 N 4.85 -0.42 0.00 3.32 3.02 -0.42 -0.95 115.26 124.65 3gj9 n ASN 81 Ca -0.14 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3gj9 n ASN 81 Cb 0.49 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 3gj9 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gj9 n GLY 82 N -2.12 2.13 3.77 7.41 0.00 -1.26 -5.01 105.19 110.11 3gj9 n GLY 82 Ca -0.30 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3gj9 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gj9 s TRP 83 N -0.67 3.23 0.33 1.61 0.52 -0.13 -5.00 118.94 118.83 3gj9 s TRP 83 Ca 0.00 1.54 -0.27 0.00 0.02 0.00 0.00 56.10 57.40 3gj9 s TRP 83 Cb 0.00 -3.48 -0.09 0.00 -1.15 0.00 0.00 33.47 28.74 3gj9 s TRP 83 CO 0.00 -1.30 1.03 0.34 0.02 0.00 0.00 176.95 177.05 3gj9 s ASP 84 N -0.77 7.12 0.00 2.95 -1.08 -1.26 -0.66 116.67 122.97 3gj9 s ASP 84 Ca 0.49 2.06 0.00 0.00 -0.52 0.00 0.00 52.55 54.58 3gj9 s ASP 84 Cb -0.35 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.51 3gj9 s ASP 84 CO 0.46 -0.24 0.81 0.23 0.52 0.00 0.00 175.17 176.95 3gj9 n MET 85 N 0.59 1.75 0.05 4.34 2.81 0.20 -4.74 117.12 122.12 3gj9 n MET 85 Ca 0.02 -1.14 -0.11 0.00 -1.81 0.00 0.00 57.70 54.66 3gj9 n MET 85 Cb 0.48 -0.93 -0.13 0.00 -0.71 0.00 0.00 33.22 31.92 3gj9 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3gj9 h THR 86 N 0.34 1.35 -0.46 2.03 1.35 -1.75 -3.36 112.91 112.41 3gj9 h THR 86 Ca 0.00 -3.05 -0.30 0.00 -0.55 0.00 0.00 66.41 62.51 3gj9 h THR 86 Cb 0.45 2.75 -0.19 0.00 -1.73 0.00 0.00 68.15 69.43 3gj9 h THR 86 CO 0.00 0.83 -0.26 0.23 -0.25 0.00 0.00 175.52 176.06 3gj9 n MET 87 N -3.35 2.35 -3.98 4.72 2.81 -1.26 -4.45 117.12 113.95 3gj9 n MET 87 Ca -0.09 -3.49 -0.22 0.00 -1.81 0.00 0.00 57.70 52.08 3gj9 n MET 87 Cb 1.00 -1.95 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 3gj9 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gj9 s VAL 88 N -3.76 3.07 0.66 2.03 -7.23 -1.26 -4.90 120.40 109.00 3gj9 s VAL 88 Ca 0.47 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.01 3gj9 s VAL 88 Cb 0.41 -3.03 0.05 0.00 0.56 0.00 0.00 36.38 34.37 3gj9 s VAL 88 CO -0.01 -0.15 0.95 0.42 -0.31 0.00 0.00 175.10 176.00 3gj9 s THR 89 N -2.41 2.56 0.11 5.32 -4.23 -1.26 -1.93 115.64 113.80 3gj9 s THR 89 Ca 0.40 -0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 3gj9 s THR 89 Cb -0.03 -3.07 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 3gj9 s THR 89 CO 0.24 -0.07 1.65 -0.74 -0.54 0.00 0.00 174.62 175.17 3gj9 h HIS 90 N -0.40 -0.56 -0.68 3.99 2.76 -1.87 -2.22 115.15 116.17 3gj9 h HIS 90 Ca -0.44 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.80 3gj9 h HIS 90 Cb 1.30 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 30.46 3gj9 h HIS 90 CO 0.36 -0.30 0.45 -0.44 -1.30 0.00 0.00 177.93 176.70 3gj9 h ASP 91 N -0.38 0.63 0.07 3.26 3.45 -1.94 -1.48 116.42 120.03 3gj9 h ASP 91 Ca 0.04 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 3gj9 h ASP 91 Cb 0.42 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3gj9 h ASP 91 CO -0.14 0.42 -0.03 1.56 -1.57 0.00 0.00 179.24 179.47 3gj9 h GLN 92 N 0.73 -0.09 -0.57 3.56 4.20 -1.81 -0.03 115.11 121.09 3gj9 h GLN 92 Ca 0.29 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.01 3gj9 h GLN 92 Cb 0.21 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3gj9 h GLN 92 CO -0.09 0.05 0.38 0.00 -0.67 0.00 0.00 178.83 178.50 3gj9 h ALA 93 N 0.71 1.60 -0.63 3.87 0.00 -1.05 -0.47 119.26 123.28 3gj9 h ALA 93 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gj9 h ALA 93 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gj9 h ALA 93 CO 0.02 0.38 0.08 -0.09 0.00 0.00 0.00 179.25 179.63 3gj9 h ARG 94 N 0.77 1.05 -0.06 0.00 1.12 -0.82 -2.74 114.38 113.70 3gj9 h ARG 94 Ca 0.21 -0.29 -0.18 0.00 -1.11 0.00 0.00 59.98 58.61 3gj9 h ARG 94 Cb -0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.75 3gj9 h ARG 94 CO -0.05 0.99 -0.72 0.87 -3.11 0.00 0.00 179.97 177.95 3gj9 h LYS 95 N 0.96 0.34 0.00 0.20 1.57 -0.18 -2.74 116.57 116.72 3gj9 h LYS 95 Ca 0.19 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gj9 h LYS 95 Cb 0.46 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3gj9 h LYS 95 CO 0.02 0.93 0.00 0.54 -0.57 0.00 0.00 179.45 180.36 3gj9 n ARG 96 N -3.82 0.00 -0.00 3.15 1.74 -0.26 -2.69 116.66 114.78 3gj9 n ARG 96 Ca -0.04 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.23 3gj9 n ARG 96 Cb 0.70 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.55 3gj9 n ARG 96 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gj9 n LEU 97 N -1.51 0.53 -0.70 0.55 4.77 -1.05 -4.49 117.00 115.10 3gj9 n LEU 97 Ca 0.05 -0.38 0.06 0.00 -0.03 0.00 0.00 56.01 55.71 3gj9 n LEU 97 Cb 0.26 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.56 3gj9 n LEU 97 CO 0.21 0.13 0.64 0.35 -1.33 0.00 0.00 177.39 177.39 3gj9 n THR 98 N -1.51 2.23 -2.02 -5.08 -2.24 -1.04 -4.98 114.28 99.64 3gj9 n THR 98 Ca 0.01 -2.32 -0.43 0.00 -2.27 0.00 0.00 64.05 59.05 3gj9 n THR 98 Cb 0.27 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 3gj9 n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gj9 s LYS 99 N -2.98 3.38 0.63 -0.78 1.02 -1.16 -4.86 119.74 115.00 3gj9 s LYS 99 Ca 0.40 1.42 0.34 0.00 0.02 0.00 0.00 55.97 58.15 3gj9 s LYS 99 Cb 0.34 -4.18 1.88 0.00 -0.52 0.00 0.00 37.83 35.36 3gj9 s LYS 99 CO 0.04 -1.80 2.13 -0.09 -0.92 0.00 0.00 175.35 174.70 3gj9 h ARG 100 N 12.62 0.00 -0.00 1.68 2.43 -1.94 -1.61 114.38 127.57 3gj9 h ARG 100 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3gj9 h ARG 100 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3gj9 h ARG 100 CO 1.03 0.00 -0.01 -1.13 -1.51 0.00 0.00 179.97 178.35 3gj9 n SER 101 N -3.33 0.03 -4.18 -3.80 3.41 -1.26 -4.65 113.62 99.83 3gj9 n SER 101 Ca -0.01 -0.37 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 3gj9 n SER 101 Cb 0.27 -0.20 -0.15 0.00 -0.26 0.00 0.00 64.21 63.87 3gj9 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gj9 s GLU 102 N -2.43 2.81 0.16 4.33 2.02 -0.61 -4.95 118.70 120.03 3gj9 s GLU 102 Ca 0.33 -0.99 0.26 0.00 0.02 0.00 0.00 54.97 54.59 3gj9 s GLU 102 Cb 0.21 -2.95 0.92 0.00 0.10 0.00 0.00 34.13 32.41 3gj9 s GLU 102 CO 0.44 -0.40 1.79 -1.91 0.02 0.00 0.00 175.26 175.21 3gj9 n GLU 103 N 4.65 0.19 -4.11 1.61 2.13 -1.26 -4.81 120.64 119.04 3gj9 n GLU 103 Ca -0.17 0.19 -0.15 0.00 0.66 0.00 0.00 57.16 57.70 3gj9 n GLU 103 Cb 0.47 -1.73 -0.12 0.00 0.27 0.00 0.00 31.44 30.32 3gj9 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gj9 s VAL 104 N -3.10 0.65 -0.11 6.31 1.01 -1.26 -0.81 120.40 123.10 3gj9 s VAL 104 Ca 0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3gj9 s VAL 104 Cb 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3gj9 s VAL 104 CO 0.55 -0.27 -0.18 0.68 0.00 0.00 0.00 175.10 175.87 3gj9 s VAL 105 N -1.18 1.68 -0.41 2.92 -7.23 -0.78 -4.98 120.40 110.41 3gj9 s VAL 105 Ca -0.07 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.23 3gj9 s VAL 105 Cb -0.09 -1.50 0.06 0.00 0.56 0.00 0.00 36.38 35.41 3gj9 s VAL 105 CO 0.01 0.48 0.26 -0.13 -0.31 0.00 0.00 175.10 175.40 3gj9 s ARG 106 N 0.77 2.70 0.04 4.82 0.52 -1.26 -1.46 118.95 125.07 3gj9 s ARG 106 Ca -0.10 -1.35 -0.13 0.00 -0.52 0.00 0.00 55.73 53.62 3gj9 s ARG 106 Cb -0.16 -3.80 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 3gj9 s ARG 106 CO 0.01 -0.89 0.42 -0.51 0.02 0.00 0.00 175.30 174.35 3gj9 s LEU 107 N 1.48 4.43 -0.21 2.53 1.02 0.21 -1.30 118.68 126.83 3gj9 s LEU 107 Ca 0.03 0.92 -0.01 0.00 0.02 0.00 0.00 54.13 55.09 3gj9 s LEU 107 Cb -0.22 -2.77 0.01 0.00 0.02 0.00 0.00 46.19 43.24 3gj9 s LEU 107 CO 0.04 0.26 -0.11 -0.22 0.02 0.00 0.00 176.35 176.33 3gj9 s LEU 108 N -1.41 2.67 0.27 1.79 0.20 -0.24 -0.51 118.68 121.46 3gj9 s LEU 108 Ca 0.28 -0.65 0.02 0.00 0.69 0.00 0.00 54.13 54.47 3gj9 s LEU 108 Cb -0.16 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 3gj9 s LEU 108 CO 0.15 -0.04 0.08 0.68 -0.29 0.00 0.00 176.35 176.93 3gj9 s VAL 109 N 1.35 0.72 0.02 1.68 -7.23 0.13 0.31 120.40 117.38 3gj9 s VAL 109 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 3gj9 s VAL 109 Cb -0.14 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 3gj9 s VAL 109 CO -0.08 -0.02 -0.08 0.42 -0.31 0.00 0.00 175.10 175.03 3gj9 s THR 110 N -3.64 0.63 -0.03 5.32 -4.23 -0.90 0.30 115.64 113.09 3gj9 s THR 110 Ca 0.37 -0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 3gj9 s THR 110 Cb 0.08 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.34 3gj9 s THR 110 CO 0.14 -0.06 0.22 0.00 -0.54 0.00 0.00 174.62 174.37 3gj9 s ARG 111 N -0.83 0.47 -0.34 3.99 1.70 -0.59 -1.47 118.95 121.88 3gj9 s ARG 111 Ca -0.02 -0.10 -0.34 0.00 -0.47 0.00 0.00 55.73 54.80 3gj9 s ARG 111 Cb -0.06 0.21 -0.11 0.00 -0.57 0.00 0.00 34.95 34.42 3gj9 s ARG 111 CO 0.00 -0.11 2.21 0.00 -1.08 0.00 0.00 175.30 176.32 3gj9 n GLN 112 N 1.89 1.18 0.12 3.89 10.64 -1.26 -2.25 117.38 131.59 3gj9 n GLN 112 Ca -0.19 0.31 0.05 0.00 -1.83 0.00 0.00 57.00 55.34 3gj9 n GLN 112 Cb 0.57 -2.58 0.25 0.00 -0.86 0.00 0.00 30.24 27.62 3gj9 n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3gj9 n SER 113 N 10.27 0.24 0.00 2.61 3.41 -1.13 -4.90 113.62 124.11 3gj9 n SER 113 Ca 0.40 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 3gj9 n SER 113 Cb 0.26 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3gj9 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gj9 n LEU 114 N -1.84 0.00 -1.31 1.04 -0.00 -1.26 -4.58 117.00 109.05 3gj9 n LEU 114 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3gj9 n LEU 114 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.74 3gj9 n LEU 114 CO 0.04 -0.07 -0.00 0.00 -0.00 0.00 0.00 177.39 177.36 3gj9 n GLN 115 N 0.00 -1.41 -3.28 1.47 1.13 -1.26 -4.72 117.38 109.31 3gj9 n GLN 115 Ca 0.00 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.79 3gj9 n GLN 115 Cb 0.00 -4.13 -0.06 0.00 0.11 0.00 0.00 30.24 26.16 3gj9 n GLN 115 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3gj9 n LYS 116 N -1.33 2.93 0.00 -1.09 4.01 -1.26 -5.09 118.16 116.32 3gj9 n LYS 116 Ca -0.00 -4.70 0.05 0.00 -0.51 0.00 0.00 58.31 53.15 3gj9 n LYS 116 Cb 0.11 -2.29 0.30 0.00 -0.51 0.00 0.00 35.03 32.64 3gj9 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29