#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j s LYS 9 N 0.00 3.73 0.00 1.97 -0.14 -1.26 -4.79 119.74 119.25 2k2j s LYS 9 Ca 0.00 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.15 2k2j s LYS 9 Cb 0.00 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2k2j s LYS 9 CO 0.00 -0.24 0.00 -3.47 -0.76 0.00 0.00 175.35 170.88 2k2j n ASP 10 N 5.01 0.00 -4.13 2.83 2.03 -1.26 -5.09 116.55 115.94 2k2j n ASP 10 Ca -0.14 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.83 2k2j n ASP 10 Cb 0.51 0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.96 2k2j n ASP 10 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k2j s GLU 11 N -1.49 2.88 -0.19 -0.67 0.41 -1.26 -5.10 118.70 113.28 2k2j s GLU 11 Ca 0.00 -0.91 -0.15 0.00 -0.41 0.00 0.00 54.97 53.50 2k2j s GLU 11 Cb 0.00 -2.69 0.06 0.00 -1.78 0.00 0.00 34.13 29.72 2k2j s GLU 11 CO 0.00 -0.28 0.50 -3.38 -0.49 0.00 0.00 175.26 171.61 2k2j s HIS 12 N 1.28 -0.63 0.04 1.61 -3.43 -1.26 -5.17 115.29 107.72 2k2j s HIS 12 Ca 0.02 1.43 0.01 0.00 -0.80 0.00 0.00 55.06 55.72 2k2j s HIS 12 Cb -0.15 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2k2j s HIS 12 CO -0.10 -0.32 -0.05 0.15 -2.00 0.00 0.00 174.74 172.42 2k2j s LYS 13 N 0.73 0.46 -0.41 -0.38 1.02 -1.26 -5.12 119.74 114.78 2k2j s LYS 13 Ca -0.04 -0.81 -0.17 0.00 0.02 0.00 0.00 55.97 54.97 2k2j s LYS 13 Cb -0.05 -0.00 0.01 0.00 -0.52 0.00 0.00 37.83 37.27 2k2j s LYS 13 CO -0.05 -0.03 0.45 -1.14 -0.92 0.00 0.00 175.35 173.65 2k2j s GLN 14 N -2.10 3.22 -0.01 1.68 2.00 -1.26 -5.03 119.66 118.16 2k2j s GLN 14 Ca -0.08 -0.63 0.01 0.00 -2.00 0.00 0.00 55.36 52.66 2k2j s GLN 14 Cb -0.06 -3.93 -0.00 0.00 0.80 0.00 0.00 33.01 29.82 2k2j s GLN 14 CO -0.02 -0.80 -0.05 -0.65 -0.50 0.00 0.00 175.29 173.27 2k2j s GLN 15 N 2.20 0.41 0.00 1.67 -0.21 -1.26 -2.50 119.66 119.97 2k2j s GLN 15 Ca 0.13 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.35 2k2j s GLN 15 Cb -0.17 -0.41 0.00 0.00 1.00 0.00 0.00 33.01 33.44 2k2j s GLN 15 CO 0.14 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 2k2j n GLY 16 N 3.02 -0.82 3.45 3.09 0.00 -0.88 -5.01 105.19 108.04 2k2j n GLY 16 Ca -0.14 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2k2j n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2j s GLU 17 N -0.31 2.53 0.27 1.61 8.01 -1.26 -0.84 118.70 128.71 2k2j s GLU 17 Ca 0.00 -0.72 0.02 0.00 0.01 0.00 0.00 54.97 54.27 2k2j s GLU 17 Cb 0.00 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 2k2j s GLU 17 CO 0.00 0.58 0.12 -0.51 0.01 0.00 0.00 175.26 175.46 2k2j s LEU 18 N -0.62 1.58 -0.12 1.80 1.43 -0.40 -4.90 118.68 117.45 2k2j s LEU 18 Ca 0.09 -1.45 0.03 0.00 -1.03 0.00 0.00 54.13 51.78 2k2j s LEU 18 Cb -0.11 0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.25 2k2j s LEU 18 CO 0.01 -0.80 -0.22 -0.31 0.23 0.00 0.00 176.35 175.25 2k2j s TYR 19 N -3.76 2.56 0.08 0.29 1.51 -1.02 -1.18 117.35 115.83 2k2j s TYR 19 Ca 0.37 -1.17 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 2k2j s TYR 19 Cb 0.07 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2k2j s TYR 19 CO 0.15 -0.51 -0.22 -1.64 -1.11 0.00 0.00 175.55 172.22 2k2j s MET 20 N 0.60 1.25 0.18 -0.62 -1.94 -1.26 -0.40 119.30 117.12 2k2j s MET 20 Ca -0.13 -1.11 -0.32 0.00 -1.71 0.00 0.00 55.69 52.43 2k2j s MET 20 Cb -0.17 -1.49 -0.11 0.00 2.01 0.00 0.00 34.83 35.07 2k2j s MET 20 CO 0.03 0.36 1.77 -0.46 -0.01 0.00 0.00 175.02 176.71 2k2j s TRP 21 N -1.03 2.63 -0.41 -0.03 -0.00 -0.84 -4.15 118.94 115.12 2k2j s TRP 21 Ca 0.08 0.20 -0.04 0.00 -0.00 0.00 0.00 56.10 56.34 2k2j s TRP 21 Cb -0.10 -4.17 0.10 0.00 -0.00 0.00 0.00 33.47 29.31 2k2j s TRP 21 CO 0.04 -4.57 0.20 -0.51 -0.00 0.00 0.00 176.95 172.11 2k2j s ASP 22 N 1.72 5.29 0.00 5.86 1.01 -0.90 -4.89 116.67 124.76 2k2j s ASP 22 Ca 0.77 -1.94 0.20 0.00 0.71 0.00 0.00 52.55 52.29 2k2j s ASP 22 Cb -0.49 -1.84 0.95 0.00 1.01 0.00 0.00 42.92 42.54 2k2j s ASP 22 CO 0.34 -0.54 1.63 -1.54 0.21 0.00 0.00 175.17 175.27 2k2j n SER 23 N 4.64 0.00 0.16 0.27 3.41 -1.26 0.33 113.62 121.17 2k2j n SER 23 Ca -0.04 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2k2j n SER 23 Cb 0.41 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 2k2j n SER 23 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2k2j h ILE 24 N 0.00 0.47 -0.09 -1.33 2.04 -1.95 -3.34 117.51 113.31 2k2j h ILE 24 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2k2j h ILE 24 Cb 0.24 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2k2j h ILE 24 CO 0.00 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.72 2k2j n ASP 25 N -5.11 2.40 -3.29 1.72 9.92 -1.22 -5.02 116.55 115.94 2k2j n ASP 25 Ca -0.09 -1.68 -0.09 0.00 -0.53 0.00 0.00 54.79 52.41 2k2j n ASP 25 Cb 0.27 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j n GLN 26 N 0.84 -1.44 -3.92 -1.24 1.13 0.15 -5.01 117.38 107.89 2k2j n GLN 26 Ca 0.10 1.29 -0.01 0.00 -1.94 0.00 0.00 57.00 56.43 2k2j n GLN 26 Cb 0.39 -4.58 0.02 0.00 0.11 0.00 0.00 30.24 26.17 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k2j s LYS 27 N -3.60 1.00 -0.20 -1.09 -2.85 -0.97 -5.00 119.74 107.03 2k2j s LYS 27 Ca 0.02 -0.65 -0.09 0.00 -1.00 0.00 0.00 55.97 54.25 2k2j s LYS 27 Cb -0.00 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2k2j s LYS 27 CO 0.80 -0.47 0.10 -1.58 0.10 0.00 0.00 175.35 174.30 2k2j s TRP 28 N -2.09 3.31 0.35 1.78 0.52 -1.26 -2.13 118.94 119.42 2k2j s TRP 28 Ca 0.25 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.59 2k2j s TRP 28 Cb -0.02 -2.15 -0.07 0.00 -1.15 0.00 0.00 33.47 30.08 2k2j s TRP 28 CO 0.03 0.16 0.01 0.95 0.02 0.00 0.00 176.95 178.13 2k2j s THR 29 N 0.56 1.63 -0.02 2.01 -4.23 -1.26 -5.05 115.64 109.28 2k2j s THR 29 Ca 0.06 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.35 2k2j s THR 29 Cb -0.12 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 2k2j s THR 29 CO 0.00 -0.05 0.54 -0.60 -0.54 0.00 0.00 174.62 173.97 2k2j s ARG 30 N -3.78 4.24 0.08 3.99 3.52 -1.26 -4.00 118.95 121.74 2k2j s ARG 30 Ca 0.35 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2k2j s ARG 30 Cb 0.08 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2k2j s ARG 30 CO 0.16 0.40 -0.10 -1.01 -0.81 0.00 0.00 175.30 173.95 2k2j s HIS 31 N -0.26 1.00 -0.62 5.12 3.76 -0.33 -3.78 115.29 120.18 2k2j s HIS 31 Ca 0.28 -0.63 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 2k2j s HIS 31 Cb -0.17 -0.56 0.16 0.00 1.11 0.00 0.00 32.58 33.12 2k2j s HIS 31 CO 0.15 -0.02 0.54 -0.47 -0.85 0.00 0.00 174.74 174.10 2k2j s TYR 32 N -2.22 3.47 0.41 1.40 5.04 -1.24 -1.28 117.35 122.92 2k2j s TYR 32 Ca 0.02 -1.80 -0.01 0.00 -2.44 0.00 0.00 57.07 52.84 2k2j s TYR 32 Cb -0.04 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.56 2k2j s TYR 32 CO -0.00 -0.99 0.65 0.00 -1.34 0.00 0.00 175.55 173.87 2k2j s ALA 34 N -2.50 -2.52 -0.17 0.00 0.00 -0.83 -2.07 121.76 113.68 2k2j s ALA 34 Ca 0.44 2.13 -0.21 0.00 0.00 0.00 0.00 51.96 54.32 2k2j s ALA 34 Cb -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2k2j s ALA 34 CO 0.39 -0.89 0.64 0.42 0.00 0.00 0.00 175.76 176.33 2k2j s ILE 35 N 2.44 5.03 -0.15 0.00 1.01 -1.04 -2.15 121.20 126.33 2k2j s ILE 35 Ca -0.04 1.24 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2k2j s ILE 35 Cb -0.07 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2k2j s ILE 35 CO -0.18 0.14 -0.16 0.00 0.00 0.00 0.00 174.94 174.75 2k2j s ALA 36 N 1.67 1.93 0.00 9.38 0.00 -0.08 -4.59 121.76 130.07 2k2j s ALA 36 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2k2j s ALA 36 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2k2j s ALA 36 CO 0.12 -0.29 0.00 -0.25 0.00 0.00 0.00 175.76 175.33 2k2j n ASP 37 N 4.59 0.00 -0.04 0.00 8.00 -1.26 -1.25 116.55 126.58 2k2j n ASP 37 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2k2j n ASP 37 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n ALA 38 N 1.51 1.09 -2.55 2.24 0.00 -1.26 -5.12 120.51 116.42 2k2j n ALA 38 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 2k2j n ALA 38 Cb 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 2k2j n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k2j s LYS 39 N 0.00 1.89 -0.14 0.00 1.02 -0.38 -4.35 119.74 117.78 2k2j s LYS 39 Ca 0.00 -1.92 -0.00 0.00 0.02 0.00 0.00 55.97 54.07 2k2j s LYS 39 Cb 0.00 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2k2j s LYS 39 CO 0.00 0.12 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.30 2k2j s LEU 40 N -3.65 1.48 -0.23 3.17 2.96 -0.93 -0.90 118.68 120.57 2k2j s LEU 40 Ca 0.33 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 2k2j s LEU 40 Cb 0.03 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 2k2j s LEU 40 CO 0.17 -0.14 0.05 -0.94 -1.32 0.00 0.00 176.35 174.17 2k2j s SER 41 N 1.64 5.10 -0.16 3.68 1.04 -0.91 -0.49 113.70 123.59 2k2j s SER 41 Ca 0.03 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 2k2j s SER 41 Cb -0.14 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 2k2j s SER 41 CO -0.08 0.01 0.04 0.72 0.98 0.00 0.00 173.24 174.90 2k2j s PHE 42 N 1.35 3.20 0.44 5.02 -0.71 -0.49 -1.96 117.98 124.84 2k2j s PHE 42 Ca 0.05 0.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.91 2k2j s PHE 42 Cb -0.15 -2.02 -0.04 0.00 -1.21 0.00 0.00 43.02 39.61 2k2j s PHE 42 CO 0.03 0.16 0.73 0.45 -1.34 0.00 0.00 175.22 175.25 2k2j s SER 43 N 0.19 6.30 0.89 1.98 0.15 -0.40 -2.44 113.70 120.36 2k2j s SER 43 Ca 0.03 0.85 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 2k2j s SER 43 Cb -0.13 -2.21 0.12 0.00 -1.71 0.00 0.00 66.02 62.10 2k2j s SER 43 CO 0.01 -0.49 1.09 -0.62 1.20 0.00 0.00 173.24 174.43 2k2j s ASP 44 N -3.96 3.60 0.07 5.45 2.15 -1.18 -3.74 116.67 119.05 2k2j s ASP 44 Ca 0.46 1.40 -0.37 0.00 0.43 0.00 0.00 52.55 54.48 2k2j s ASP 44 Cb -0.10 -2.09 -0.18 0.00 -0.30 0.00 0.00 42.92 40.25 2k2j s ASP 44 CO 0.41 -2.55 1.09 0.47 -0.17 0.00 0.00 175.17 174.43 2k2j n ASP 45 N -3.82 0.47 -0.87 -0.34 9.92 -1.26 -4.55 116.55 116.10 2k2j n ASP 45 Ca 0.07 1.14 0.09 0.00 -0.53 0.00 0.00 54.79 55.56 2k2j n ASP 45 Cb 0.56 -1.03 0.16 0.00 -0.64 0.00 0.00 41.12 40.16 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2k2j n ILE 46 N 1.59 0.47 0.00 0.53 -5.35 -1.25 -4.52 119.36 110.84 2k2j n ILE 46 Ca 0.19 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2k2j n ILE 46 Cb 0.15 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 2k2j n ILE 46 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2k2j n GLU 47 N 1.08 0.00 0.22 6.28 0.28 -1.26 -4.97 120.64 122.27 2k2j n GLU 47 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2k2j n GLU 47 Cb 0.49 -0.06 -0.07 0.00 1.43 0.00 0.00 31.44 33.23 2k2j n GLU 47 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2k2j h GLN 48 N 0.00 -0.58 0.00 3.44 1.08 -1.89 -3.44 115.11 113.72 2k2j h GLN 48 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2k2j h GLN 48 Cb 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2k2j h GLN 48 CO 0.00 -0.27 0.00 0.25 -0.95 0.00 0.00 178.83 177.86 2k2j n THR 49 N -5.21 0.00 -1.33 -0.54 -2.24 -1.26 -4.67 114.28 99.02 2k2j n THR 49 Ca -0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 2k2j n THR 49 Cb 0.30 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 2k2j n THR 49 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2k2j n MET 50 N 0.00 -1.43 -3.69 -0.78 2.81 -1.26 -4.94 117.12 107.83 2k2j n MET 50 Ca 0.00 0.88 -0.38 0.00 -1.81 0.00 0.00 57.70 56.39 2k2j n MET 50 Cb 0.00 -5.16 -0.10 0.00 -0.71 0.00 0.00 33.22 27.25 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k2j s GLU 51 N -2.87 2.21 0.45 0.03 2.02 -1.26 -5.09 118.70 114.19 2k2j s GLU 51 Ca 0.00 -1.86 -0.00 0.00 0.02 0.00 0.00 54.97 53.13 2k2j s GLU 51 Cb 0.00 -3.72 -0.00 0.00 0.10 0.00 0.00 34.13 30.51 2k2j s GLU 51 CO 0.00 -1.12 0.68 -1.21 0.02 0.00 0.00 175.26 173.63 2k2j s GLU 52 N 1.12 3.08 0.00 1.61 8.01 -1.26 -4.13 118.70 127.13 2k2j s GLU 52 Ca 0.08 -0.45 0.00 0.00 0.01 0.00 0.00 54.97 54.61 2k2j s GLU 52 Cb -0.24 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.04 2k2j s GLU 52 CO -0.03 -0.28 0.00 -0.25 0.01 0.00 0.00 175.26 174.71 2k2j n ASP 53 N -2.10 0.00 -3.12 -0.19 8.00 -1.26 -4.71 116.55 113.17 2k2j n ASP 53 Ca 0.01 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.35 2k2j n ASP 53 Cb 0.58 -1.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.30 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k2j n ASN 54 N 0.00 0.79 -4.60 -2.24 3.02 -1.26 -5.09 115.26 105.88 2k2j n ASN 54 Ca 0.00 -3.00 -0.43 0.00 -0.03 0.00 0.00 54.58 51.12 2k2j n ASN 54 Cb 0.00 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2k2j s PRO 55 N -2.41 3.70 -0.16 3.52 0.02 -1.26 -4.94 135.00 133.47 2k2j s PRO 55 Ca 0.38 0.54 -0.31 0.00 0.02 0.00 0.00 61.00 61.63 2k2j s PRO 55 Cb 0.36 -3.92 0.14 0.00 0.02 0.00 0.00 34.50 31.09 2k2j s PRO 55 CO -0.07 -1.42 1.08 -1.17 -0.33 0.00 0.00 177.00 175.09 2k2j s LEU 56 N 4.55 -0.26 -0.10 -5.54 2.96 -1.26 -5.18 118.68 113.84 2k2j s LEU 56 Ca 0.48 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.47 2k2j s LEU 56 Cb -0.07 1.66 0.03 0.00 0.50 0.00 0.00 46.19 48.31 2k2j s LEU 56 CO 0.31 -0.32 0.28 -0.83 -1.32 0.00 0.00 176.35 174.47 2k2j s GLY 57 N -1.58 -0.21 -0.07 7.98 0.00 -1.26 -5.03 107.32 107.15 2k2j s GLY 57 Ca 0.04 0.77 0.10 0.00 0.00 0.00 0.00 44.72 45.63 2k2j s GLY 57 CO -0.03 0.66 1.05 1.44 0.00 0.00 0.00 173.10 176.22 2k2j n SER 58 N 2.89 1.55 0.00 1.64 7.64 -1.26 -5.05 113.62 121.03 2k2j n SER 58 Ca -0.13 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2k2j n SER 58 Cb 0.58 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2j n LEU 59 N -0.86 0.00 -4.54 -3.43 7.94 -1.26 -4.66 117.00 110.18 2k2j n LEU 59 Ca 0.09 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.62 2k2j n LEU 59 Cb 0.60 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 2k2j n LEU 59 CO 0.01 0.00 2.06 0.00 -1.11 0.00 0.00 177.39 178.34 2k2j n ARG 61 N 8.93 0.65 -3.62 0.00 3.00 -1.02 -4.98 116.66 119.62 2k2j n ARG 61 Ca 0.41 0.10 -0.04 0.00 -0.00 0.00 0.00 57.85 58.32 2k2j n ARG 61 Cb 0.47 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 2k2j n ARG 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2k2j s GLY 62 N -4.97 -0.16 -0.00 5.14 0.00 -1.19 -5.03 107.32 101.12 2k2j s GLY 62 Ca -0.06 2.07 0.01 0.00 0.00 0.00 0.00 44.72 46.74 2k2j s GLY 62 CO 0.83 0.77 -0.03 -0.42 0.00 0.00 0.00 173.10 174.26 2k2j s ILE 63 N -1.80 0.23 -0.38 0.90 1.01 -1.26 -1.39 121.20 118.51 2k2j s ILE 63 Ca 0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 2k2j s ILE 63 Cb -0.01 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.27 2k2j s ILE 63 CO -0.05 0.05 0.24 -0.76 0.00 0.00 0.00 174.94 174.43 2k2j s LEU 64 N -0.11 4.80 0.57 2.97 2.01 0.36 -4.92 118.68 124.36 2k2j s LEU 64 Ca 0.01 -0.86 0.30 0.00 0.01 0.00 0.00 54.13 53.59 2k2j s LEU 64 Cb -0.01 -2.09 1.45 0.00 0.01 0.00 0.00 46.19 45.55 2k2j s LEU 64 CO -0.00 -0.38 1.85 0.44 1.01 0.00 0.00 176.35 179.27 2k2j h ASP 65 N 8.51 0.00 0.00 2.29 5.19 -1.88 -2.48 116.42 128.05 2k2j h ASP 65 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2k2j h ASP 65 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2k2j h ASP 65 CO 0.68 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.98 2k2j n LEU 66 N -3.93 0.99 -0.80 1.55 4.77 -1.26 -4.44 117.00 113.87 2k2j n LEU 66 Ca 0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 2k2j n LEU 66 Cb 0.87 -2.09 0.10 0.00 -2.33 0.00 0.00 43.42 39.97 2k2j n LEU 66 CO 0.33 -0.79 0.57 0.59 -1.33 0.00 0.00 177.39 176.75 2k2j n ASN 67 N -0.60 2.70 -2.80 -1.43 5.03 -1.26 -3.92 115.26 112.99 2k2j n ASN 67 Ca 0.00 -1.82 -0.10 0.00 0.87 0.00 0.00 54.58 53.53 2k2j n ASN 67 Cb 0.30 -0.04 0.07 0.00 -1.02 0.00 0.00 39.78 39.08 2k2j n ASN 67 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2k2j n THR 68 N 1.10 0.13 -4.09 3.41 5.66 -1.26 -5.05 114.28 114.17 2k2j n THR 68 Ca 0.12 -2.34 -0.11 0.00 -3.05 0.00 0.00 64.05 58.67 2k2j n THR 68 Cb 0.49 0.88 -0.07 0.00 -1.55 0.00 0.00 70.33 70.08 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2k2j s TYR 69 N -0.82 0.79 -0.03 1.09 1.51 -1.26 -0.24 117.35 118.39 2k2j s TYR 69 Ca 0.26 -1.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 2k2j s TYR 69 Cb 0.36 -0.15 0.02 0.00 -0.11 0.00 0.00 41.96 42.09 2k2j s TYR 69 CO -0.05 -0.88 -0.01 -0.80 -1.11 0.00 0.00 175.55 172.69 2k2j s ASN 70 N -3.11 0.51 -0.15 2.29 0.01 0.44 -4.79 114.94 110.15 2k2j s ASN 70 Ca 0.30 -0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 52.26 2k2j s ASN 70 Cb 0.02 -0.25 -0.05 0.00 0.41 0.00 0.00 41.25 41.39 2k2j s ASN 70 CO 0.12 -0.07 0.30 -0.69 -1.51 0.00 0.00 177.10 175.25 2k2j s VAL 71 N 0.86 5.29 -0.06 1.60 1.01 -1.26 -0.12 120.40 127.72 2k2j s VAL 71 Ca -0.09 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2k2j s VAL 71 Cb -0.12 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2k2j s VAL 71 CO -0.01 0.41 -0.07 0.68 0.00 0.00 0.00 175.10 176.12 2k2j s VAL 72 N 0.27 0.75 -0.61 2.92 -7.23 -0.56 -4.98 120.40 110.95 2k2j s VAL 72 Ca 0.17 -0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 59.84 2k2j s VAL 72 Cb -0.13 -0.74 0.03 0.00 0.56 0.00 0.00 36.38 36.09 2k2j s VAL 72 CO 0.05 0.28 1.20 -0.75 -0.31 0.00 0.00 175.10 175.56 2k2j s LYS 73 N 0.97 3.43 -0.21 4.82 2.20 -1.26 -1.26 119.74 128.44 2k2j s LYS 73 Ca -0.10 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 2k2j s LYS 73 Cb -0.14 -4.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 2k2j s LYS 73 CO 0.00 -1.78 1.06 0.00 -0.36 0.00 0.00 175.35 174.28 2k2j s ALA 74 N 5.08 3.66 0.49 3.13 0.00 0.33 -4.99 121.76 129.46 2k2j s ALA 74 Ca 0.40 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 2k2j s ALA 74 Cb -0.08 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 2k2j s ALA 74 CO 0.23 -1.02 1.00 -1.25 0.00 0.00 0.00 175.76 174.72 2k2j s PRO 75 N 3.13 3.89 -0.96 0.00 0.04 -1.26 -2.84 135.00 136.98 2k2j s PRO 75 Ca 0.46 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2k2j s PRO 75 Cb -0.16 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2k2j s PRO 75 CO 0.08 -0.34 0.00 0.94 0.04 0.00 0.00 177.00 177.73 2k2j n GLN 76 N -1.12 -1.66 0.00 4.56 7.27 -1.12 -4.66 117.38 120.65 2k2j n GLN 76 Ca 0.08 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.87 2k2j n GLN 76 Cb 0.53 -4.93 0.00 0.00 2.41 0.00 0.00 30.24 28.25 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2j n GLY 77 N 0.20 -0.98 3.00 1.69 0.00 0.12 -3.94 105.19 105.28 2k2j n GLY 77 Ca -0.09 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2k2j n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k2j s LYS 78 N 0.00 0.37 0.00 1.61 2.20 -1.25 -4.81 119.74 117.86 2k2j s LYS 78 Ca 0.00 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2k2j s LYS 78 Cb 0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2k2j s LYS 78 CO 0.00 -0.01 0.00 0.09 -0.36 0.00 0.00 175.35 175.07 2k2j n ASN 79 N 1.64 0.00 -0.32 1.43 3.02 -1.26 -1.66 115.26 118.11 2k2j n ASN 79 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2k2j n ASN 79 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2j n GLN 80 N 0.00 0.00 -3.24 3.52 1.13 -1.26 -5.12 117.38 112.41 2k2j n GLN 80 Ca 0.00 -0.60 -0.21 0.00 -1.94 0.00 0.00 57.00 54.25 2k2j n GLN 80 Cb 0.00 -0.37 0.04 0.00 0.11 0.00 0.00 30.24 30.03 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2k2j s LYS 81 N 0.00 2.31 0.00 -1.09 -0.14 -0.66 -5.05 119.74 115.10 2k2j s LYS 81 Ca 0.00 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 52.89 2k2j s LYS 81 Cb 0.00 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 2k2j s LYS 81 CO 0.00 -0.78 0.00 0.43 -0.76 0.00 0.00 175.35 174.24 2k2j n SER 82 N -2.11 4.22 -3.82 2.83 7.64 -1.25 -3.73 113.62 117.39 2k2j n SER 82 Ca 0.11 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 2k2j n SER 82 Cb 0.62 0.58 -0.15 0.00 -1.01 0.00 0.00 64.21 64.25 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k2j s PHE 83 N -1.78 2.13 0.06 1.43 0.08 -1.26 0.13 117.98 118.77 2k2j s PHE 83 Ca 0.00 -1.89 0.06 0.00 0.12 0.00 0.00 56.93 55.22 2k2j s PHE 83 Cb 0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2k2j s PHE 83 CO 0.00 -0.85 -0.17 0.08 -0.10 0.00 0.00 175.22 174.18 2k2j s VAL 84 N 1.47 1.38 -0.08 -0.44 1.01 -1.13 -3.98 120.40 118.63 2k2j s VAL 84 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2k2j s VAL 84 Cb -0.18 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2k2j s VAL 84 CO -0.18 -0.03 -0.06 -0.36 0.00 0.00 0.00 175.10 174.47 2k2j s PHE 85 N -1.02 1.17 -0.09 5.22 0.40 -1.01 0.12 117.98 122.78 2k2j s PHE 85 Ca 0.03 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2k2j s PHE 85 Cb -0.09 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 2k2j s PHE 85 CO 0.02 -0.37 0.12 0.42 0.70 0.00 0.00 175.22 176.11 2k2j s ILE 86 N 1.41 5.23 -0.20 0.64 1.01 -0.39 -1.89 121.20 127.02 2k2j s ILE 86 Ca -0.02 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2k2j s ILE 86 Cb -0.13 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2k2j s ILE 86 CO -0.04 0.54 0.11 -0.76 0.00 0.00 0.00 174.94 174.80 2k2j s LEU 87 N -1.22 4.07 -0.35 2.97 1.43 -0.15 -1.50 118.68 123.93 2k2j s LEU 87 Ca 0.17 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2k2j s LEU 87 Cb -0.12 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 44.13 2k2j s LEU 87 CO 0.07 0.16 0.10 -1.61 0.23 0.00 0.00 176.35 175.30 2k2j s GLU 88 N 0.44 2.08 0.73 1.70 2.02 0.83 -2.41 118.70 124.10 2k2j s GLU 88 Ca 0.06 -1.62 -0.16 0.00 0.02 0.00 0.00 54.97 53.28 2k2j s GLU 88 Cb -0.12 -3.36 0.04 0.00 0.10 0.00 0.00 34.13 30.79 2k2j s GLU 88 CO -0.01 -0.87 1.24 -0.35 0.02 0.00 0.00 175.26 175.29 2k2j n PRO 89 N 4.54 0.62 -0.00 0.39 -0.04 -1.26 -0.42 135.00 138.83 2k2j n PRO 89 Ca -0.05 0.28 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2k2j n PRO 89 Cb 0.42 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 2k2j n PRO 89 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k2j n LYS 90 N -2.62 -0.82 0.00 0.54 5.02 0.67 -4.76 118.16 116.20 2k2j n LYS 90 Ca 0.15 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 2k2j n LYS 90 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2k2j n LYS 90 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2k2j n GLN 91 N 0.06 0.00 -3.11 1.97 7.27 -1.26 -4.82 117.38 117.49 2k2j n GLN 91 Ca 0.01 0.01 -0.08 0.00 0.07 0.00 0.00 57.00 57.00 2k2j n GLN 91 Cb 0.03 -0.99 -0.03 0.00 2.41 0.00 0.00 30.24 31.66 2k2j n GLN 91 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k2j s GLN 92 N -0.99 0.88 -1.04 3.69 -0.21 -1.26 -4.94 119.66 115.80 2k2j s GLN 92 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.49 2k2j s GLN 92 Cb 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 33.01 33.70 2k2j s GLN 92 CO 0.00 -1.26 0.00 0.41 -2.12 0.00 0.00 175.29 172.32 2k2j n GLY 93 N 3.70 0.79 3.58 3.09 0.00 -1.26 -4.89 105.19 110.18 2k2j n GLY 93 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2k2j n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2j n ASP 94 N -0.32 -0.43 -4.79 1.61 9.92 -1.26 -4.96 116.55 116.32 2k2j n ASP 94 Ca -0.10 0.43 -0.34 0.00 -0.53 0.00 0.00 54.79 54.25 2k2j n ASP 94 Cb 0.36 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 2k2j n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k2j s PRO 95 N -4.09 3.75 0.69 -0.24 0.04 -1.26 -4.65 135.00 129.24 2k2j s PRO 95 Ca 0.65 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 2k2j s PRO 95 Cb -0.24 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2k2j s PRO 95 CO 0.60 -0.49 1.02 -1.25 0.04 0.00 0.00 177.00 176.92 2k2j s PRO 96 N -3.20 2.39 -0.04 0.56 0.04 -1.26 -4.62 135.00 128.86 2k2j s PRO 96 Ca 0.68 -0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.65 2k2j s PRO 96 Cb -0.18 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2k2j s PRO 96 CO 0.21 -1.15 -0.06 0.08 0.04 0.00 0.00 177.00 176.12 2k2j s VAL 97 N -3.25 0.63 -0.08 -0.36 1.01 -1.01 -4.96 120.40 112.39 2k2j s VAL 97 Ca 0.59 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 2k2j s VAL 97 Cb -0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2k2j s VAL 97 CO 0.46 0.24 0.23 -1.61 0.00 0.00 0.00 175.10 174.42 2k2j s GLU 98 N 0.77 3.62 0.17 2.72 8.01 -1.26 -0.97 118.70 131.76 2k2j s GLU 98 Ca -0.11 0.06 0.06 0.00 0.01 0.00 0.00 54.97 54.99 2k2j s GLU 98 Cb -0.14 -3.21 -0.04 0.00 -4.31 0.00 0.00 34.13 26.43 2k2j s GLU 98 CO 0.01 0.74 -0.13 -0.06 0.01 0.00 0.00 175.26 175.83 2k2j s PHE 99 N -1.01 1.52 0.13 1.61 0.40 -0.79 -1.99 117.98 117.84 2k2j s PHE 99 Ca 0.18 -0.64 -0.22 0.00 -0.60 0.00 0.00 56.93 55.65 2k2j s PHE 99 Cb -0.14 -0.73 0.06 0.00 0.51 0.00 0.00 43.02 42.72 2k2j s PHE 99 CO 0.07 0.23 0.55 0.00 0.70 0.00 0.00 175.22 176.78 2k2j s ALA 100 N -3.03 -1.42 0.00 5.36 0.00 0.47 -2.42 121.76 120.72 2k2j s ALA 100 Ca 0.19 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2k2j s ALA 100 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2k2j s ALA 100 CO 0.04 -0.69 0.00 0.25 0.00 0.00 0.00 175.76 175.36 2k2j n THR 101 N -0.18 0.00 -0.27 0.00 -2.24 -1.26 -2.45 114.28 107.89 2k2j n THR 101 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2k2j n THR 101 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2k2j n THR 101 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k2j n ASP 102 N -1.27 0.52 -4.14 3.42 9.92 -1.26 -4.94 116.55 118.80 2k2j n ASP 102 Ca 0.00 -0.86 -0.10 0.00 -0.53 0.00 0.00 54.79 53.30 2k2j n ASP 102 Cb 0.00 0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.52 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2k2j s ARG 103 N -0.14 0.96 0.08 -1.24 0.52 -1.26 -5.06 118.95 112.80 2k2j s ARG 103 Ca 0.00 -1.44 -0.10 0.00 -0.52 0.00 0.00 55.73 53.67 2k2j s ARG 103 Cb 0.00 0.25 -0.25 0.00 0.52 0.00 0.00 34.95 35.47 2k2j s ARG 103 CO 0.00 -0.28 1.15 0.28 0.02 0.00 0.00 175.30 176.47 2k2j h VAL 104 N 2.83 1.37 0.26 3.52 2.07 -1.99 -2.67 116.25 121.64 2k2j h VAL 104 Ca -0.35 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.51 2k2j h VAL 104 Cb 1.20 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 2k2j h VAL 104 CO 0.58 0.79 -0.12 -0.33 0.02 0.00 0.00 177.57 178.51 2k2j h GLU 105 N 0.20 -0.33 -0.13 1.57 3.07 -2.00 -2.66 114.58 114.29 2k2j h GLU 105 Ca -0.16 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2k2j h GLU 105 Cb 1.88 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.86 2k2j h GLU 105 CO 0.22 -0.03 0.09 0.93 -1.40 0.00 0.00 179.01 178.81 2k2j h GLU 106 N -0.65 0.18 0.45 2.33 4.39 -1.98 0.14 114.58 119.43 2k2j h GLU 106 Ca -0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2k2j h GLU 106 Cb 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k2j h GLU 106 CO 0.06 0.12 -0.35 1.25 -1.16 0.00 0.00 179.01 178.93 2k2j h LEU 107 N 0.18 -0.92 -0.16 1.33 7.12 -1.27 0.46 115.31 122.06 2k2j h LEU 107 Ca 0.05 0.07 -0.15 0.00 0.13 0.00 0.00 57.88 57.98 2k2j h LEU 107 Cb -0.02 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2k2j h LEU 107 CO -0.01 -0.52 -0.48 0.15 -0.13 0.00 0.00 178.44 177.45 2k2j h PHE 108 N -0.79 0.79 0.63 1.25 3.57 -1.13 -2.91 116.94 118.35 2k2j h PHE 108 Ca -0.04 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 2k2j h PHE 108 Cb 0.68 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2k2j h PHE 108 CO -0.16 1.09 -0.42 1.49 -2.23 0.00 0.00 178.31 178.09 2k2j h GLU 109 N 0.26 -0.96 -0.08 1.11 4.81 -0.69 0.34 114.58 119.37 2k2j h GLU 109 Ca -0.02 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k2j h GLU 109 Cb 1.11 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 2k2j h GLU 109 CO 0.10 -0.64 0.05 -1.49 -0.73 0.00 0.00 179.01 176.30 2k2j h TRP 110 N -1.00 0.10 -0.00 0.92 4.06 -1.02 -2.75 115.95 116.26 2k2j h TRP 110 Ca -0.08 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.76 2k2j h TRP 110 Cb 0.82 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 2k2j h TRP 110 CO -0.12 0.10 -0.54 0.74 -3.56 0.00 0.00 178.44 175.05 2k2j h PHE 111 N 0.08 0.00 -0.72 0.49 0.04 -1.52 -2.80 116.94 112.52 2k2j h PHE 111 Ca 0.03 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2k2j h PHE 111 Cb 0.02 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 2k2j h PHE 111 CO -0.06 0.54 0.44 0.37 -0.60 0.00 0.00 178.31 179.00 2k2j h GLN 112 N 0.00 0.98 -0.16 1.51 -0.00 -0.08 0.69 115.11 118.05 2k2j h GLN 112 Ca -0.01 -0.08 -0.06 0.00 -0.00 0.00 0.00 58.65 58.51 2k2j h GLN 112 Cb 0.96 -0.21 -0.00 0.00 0.00 0.00 0.00 27.48 28.23 2k2j h GLN 112 CO 0.07 0.68 -0.12 0.66 0.00 0.00 0.00 178.83 180.12 2k2j h SER 113 N 1.00 0.38 -0.58 -0.69 4.64 -1.27 0.19 113.55 117.23 2k2j h SER 113 Ca 0.26 -0.45 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2k2j h SER 113 Cb -0.05 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 2k2j h SER 113 CO -0.05 0.76 0.39 0.40 -0.87 0.00 0.00 176.83 177.45 2k2j h ILE 114 N 0.01 0.99 0.01 0.95 2.04 -1.19 -0.05 117.51 120.28 2k2j h ILE 114 Ca 0.03 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 2k2j h ILE 114 Cb 0.63 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2k2j h ILE 114 CO 0.03 0.10 -0.87 0.03 0.00 0.00 0.00 178.15 177.44 2k2j h ARG 115 N 0.56 0.11 0.00 2.37 3.08 -0.66 -2.44 114.38 117.40 2k2j h ARG 115 Ca 0.25 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2k2j h ARG 115 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k2j h ARG 115 CO -0.07 0.91 0.00 0.93 -1.07 0.00 0.00 179.97 180.66 2k2j h GLU 116 N 0.06 0.00 0.00 0.04 4.39 0.14 0.60 114.58 119.80 2k2j h GLU 116 Ca -0.03 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 2k2j h GLU 116 Cb 1.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.11 2k2j h GLU 116 CO 0.12 0.00 -1.86 -0.89 -1.16 0.00 0.00 179.01 175.23 2k2j n ILE 117 N -2.89 0.86 -0.07 3.13 5.41 -1.09 -4.31 119.36 120.40 2k2j n ILE 117 Ca -0.02 -0.51 -0.08 0.00 1.00 0.00 0.00 62.75 63.14 2k2j n ILE 117 Cb 0.11 -0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 38.31 2k2j n ILE 117 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k2j n THR 118 N -2.50 1.34 0.32 1.39 -2.24 -0.92 -4.50 114.28 107.16 2k2j n THR 118 Ca -0.21 0.19 0.19 0.00 -2.27 0.00 0.00 64.05 61.95 2k2j n THR 118 Cb 0.90 -2.23 1.08 0.00 -2.10 0.00 0.00 70.33 67.97 2k2j n THR 118 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k2j h TRP 119 N -0.85 0.00 -3.58 4.78 2.91 -0.21 -3.37 115.95 115.62 2k2j h TRP 119 Ca 0.00 0.00 -0.63 0.00 1.13 0.00 0.00 58.89 59.39 2k2j h TRP 119 Cb 0.85 0.00 -0.37 0.00 -0.51 0.00 0.00 29.16 29.13 2k2j h TRP 119 CO -0.37 0.01 -0.80 0.21 -1.03 0.00 0.00 178.44 176.46 2k2j s LYS 120 N -4.32 1.95 -0.26 2.65 2.20 0.11 -4.97 119.74 117.09 2k2j s LYS 120 Ca -0.05 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.56 2k2j s LYS 120 Cb 0.14 -2.58 0.08 0.00 -1.51 0.00 0.00 37.83 33.96 2k2j s LYS 120 CO 0.47 -0.51 0.04 0.42 -0.36 0.00 0.00 175.35 175.41 2k2j s ILE 121 N 1.33 1.04 -0.21 5.43 1.01 -1.26 -4.09 121.20 124.45 2k2j s ILE 121 Ca -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.32 2k2j s ILE 121 Cb -0.18 -1.60 0.08 0.00 0.01 0.00 0.00 42.46 40.77 2k2j s ILE 121 CO -0.07 -0.41 0.46 -0.62 0.00 0.00 0.00 174.94 174.30 2k2j s ASP 122 N 1.58 -0.48 0.00 3.58 -1.08 -1.26 -5.01 116.67 114.00 2k2j s ASP 122 Ca 0.03 1.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 2k2j s ASP 122 Cb -0.18 1.27 0.00 0.00 -1.46 0.00 0.00 42.92 42.55 2k2j s ASP 122 CO -0.15 -0.22 0.00 1.07 0.52 0.00 0.00 175.17 176.39 2k2j n THR 123 N 4.96 0.00 1.35 1.71 5.66 -1.26 -5.23 114.28 121.46 2k2j n THR 123 Ca -0.14 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 60.99 2k2j n THR 123 Cb 0.52 0.05 0.39 0.00 -1.55 0.00 0.00 70.33 69.74 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31