#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j n LYS 9 N 0.00 2.60 -2.64 1.97 5.02 -1.26 -5.03 118.16 118.82 2k2j n LYS 9 Ca 0.00 -2.87 -0.04 0.00 -2.02 0.00 0.00 58.31 53.38 2k2j n LYS 9 Cb 0.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 2k2j n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k2j n ASP 10 N -0.70 -2.55 -0.98 4.39 2.03 -1.26 -4.85 116.55 112.63 2k2j n ASP 10 Ca 0.23 1.38 0.05 0.00 0.52 0.00 0.00 54.79 56.96 2k2j n ASP 10 Cb 0.89 -5.30 -0.01 0.00 -0.72 0.00 0.00 41.12 35.98 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k2j n GLU 11 N 1.44 -0.71 -3.88 -0.67 1.02 -1.26 -4.92 120.64 111.66 2k2j n GLU 11 Ca -0.31 0.47 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 2k2j n GLU 11 Cb 0.48 -0.87 -0.12 0.00 -0.02 0.00 0.00 31.44 30.90 2k2j n GLU 11 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2k2j s HIS 12 N -0.58 0.01 -0.54 -0.32 -3.43 -1.26 -4.94 115.29 104.23 2k2j s HIS 12 Ca 0.00 -0.00 -0.17 0.00 -0.80 0.00 0.00 55.06 54.08 2k2j s HIS 12 Cb 0.00 -0.03 0.10 0.00 -1.43 0.00 0.00 32.58 31.22 2k2j s HIS 12 CO 0.00 -0.10 0.57 0.21 -2.00 0.00 0.00 174.74 173.43 2k2j s LYS 13 N -0.44 3.03 -0.38 -0.38 2.47 -1.26 -5.03 119.74 117.75 2k2j s LYS 13 Ca -0.05 -1.37 -0.12 0.00 -1.56 0.00 0.00 55.97 52.86 2k2j s LYS 13 Cb -0.03 -4.22 0.02 0.00 -1.46 0.00 0.00 37.83 32.13 2k2j s LYS 13 CO 0.00 -1.33 0.24 -1.14 0.16 0.00 0.00 175.35 173.28 2k2j s GLN 14 N 2.16 2.96 0.03 4.03 2.00 -1.26 -5.05 119.66 124.52 2k2j s GLN 14 Ca 0.08 -1.01 0.02 0.00 -2.00 0.00 0.00 55.36 52.46 2k2j s GLN 14 Cb -0.25 -3.82 -0.02 0.00 0.80 0.00 0.00 33.01 29.73 2k2j s GLN 14 CO 0.06 -0.68 -0.07 -0.65 -0.50 0.00 0.00 175.29 173.45 2k2j s GLN 15 N 1.61 0.51 0.00 1.67 -0.21 -1.26 -2.30 119.66 119.68 2k2j s GLN 15 Ca 0.04 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2k2j s GLN 15 Cb -0.19 -0.36 0.00 0.00 1.00 0.00 0.00 33.01 33.47 2k2j s GLN 15 CO 0.08 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2k2j n GLY 16 N 1.95 -0.51 2.93 3.09 0.00 -0.87 -5.00 105.19 106.78 2k2j n GLY 16 Ca -0.19 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.17 0.21 1.61 2.02 -1.26 -1.24 118.70 120.22 2k2j s GLU 17 Ca 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 2k2j s GLU 17 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.19 2k2j s GLU 17 CO 0.00 -0.01 0.24 -0.51 0.02 0.00 0.00 175.26 175.01 2k2j s LEU 18 N -0.63 0.88 -0.03 1.80 1.43 -0.51 -4.85 118.68 116.76 2k2j s LEU 18 Ca -0.06 -1.23 0.02 0.00 -1.03 0.00 0.00 54.13 51.83 2k2j s LEU 18 Cb -0.04 0.84 -0.03 0.00 0.03 0.00 0.00 46.19 46.99 2k2j s LEU 18 CO -0.00 -0.94 -0.08 -0.31 0.23 0.00 0.00 176.35 175.25 2k2j s TYR 19 N -4.11 2.89 -0.01 0.29 1.51 -1.12 -1.36 117.35 115.44 2k2j s TYR 19 Ca 0.33 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 2k2j s TYR 19 Cb 0.04 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2k2j s TYR 19 CO 0.11 0.34 -0.06 -1.64 -1.11 0.00 0.00 175.55 173.18 2k2j s MET 20 N -1.10 0.61 0.08 -0.62 -1.94 -1.25 -1.98 119.30 113.10 2k2j s MET 20 Ca 0.15 -0.22 -0.31 0.00 -1.71 0.00 0.00 55.69 53.60 2k2j s MET 20 Cb -0.11 -0.60 -0.10 0.00 2.01 0.00 0.00 34.83 36.04 2k2j s MET 20 CO 0.04 0.10 1.87 -0.46 -0.01 0.00 0.00 175.02 176.56 2k2j s TRP 21 N 0.05 1.84 -0.40 -0.03 -0.00 -0.78 -4.24 118.94 115.38 2k2j s TRP 21 Ca -0.00 -0.16 -0.08 0.00 -0.00 0.00 0.00 56.10 55.86 2k2j s TRP 21 Cb -0.05 -4.19 0.07 0.00 -0.00 0.00 0.00 33.47 29.30 2k2j s TRP 21 CO -0.00 -5.05 0.22 -0.51 -0.00 0.00 0.00 176.95 171.61 2k2j s ASP 22 N 3.34 5.54 0.00 5.86 1.01 -0.98 -4.83 116.67 126.61 2k2j s ASP 22 Ca 0.83 -1.44 0.32 0.00 0.71 0.00 0.00 52.55 52.96 2k2j s ASP 22 Cb -0.44 -1.95 1.86 0.00 1.01 0.00 0.00 42.92 43.40 2k2j s ASP 22 CO 0.38 -0.48 2.20 -1.54 0.21 0.00 0.00 175.17 175.94 2k2j n SER 23 N 4.87 0.05 0.07 0.27 3.41 -1.26 0.24 113.62 121.27 2k2j n SER 23 Ca -0.10 -0.96 -0.20 0.00 -0.26 0.00 0.00 58.87 57.35 2k2j n SER 23 Cb 0.43 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.07 1.30 0.00 -1.33 2.04 -1.95 -3.36 117.51 114.28 2k2j h ILE 24 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2k2j h ILE 24 Cb 0.03 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2k2j h ILE 24 CO 0.00 0.73 0.00 0.47 0.00 0.00 0.00 178.15 179.35 2k2j n ASP 25 N -3.80 0.74 -3.24 1.72 9.92 -1.22 -5.05 116.55 115.63 2k2j n ASP 25 Ca -0.12 -0.97 -0.10 0.00 -0.53 0.00 0.00 54.79 53.07 2k2j n ASP 25 Cb 0.93 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 -0.03 -1.60 -3.84 -1.24 1.13 0.14 -5.02 117.38 106.92 2k2j n GLN 26 Ca 0.00 1.42 -0.02 0.00 -1.94 0.00 0.00 57.00 56.46 2k2j n GLN 26 Cb 0.05 -4.63 0.01 0.00 0.11 0.00 0.00 30.24 25.78 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 -3.36 1.07 -0.15 -1.09 -2.85 -0.99 -5.01 119.74 107.37 2k2j s LYS 27 Ca 0.07 -0.66 -0.05 0.00 -1.00 0.00 0.00 55.97 54.33 2k2j s LYS 27 Cb -0.01 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2k2j s LYS 27 CO 0.80 -0.50 0.01 -1.58 0.10 0.00 0.00 175.35 174.19 2k2j s TRP 28 N -2.41 3.16 0.23 1.78 0.52 -1.26 -2.32 118.94 118.64 2k2j s TRP 28 Ca 0.20 -0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.35 2k2j s TRP 28 Cb -0.01 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 2k2j s TRP 28 CO 0.03 0.19 -0.02 0.95 0.02 0.00 0.00 176.95 178.12 2k2j s THR 29 N -0.01 1.12 -0.23 2.01 -4.23 -1.26 -5.05 115.64 107.99 2k2j s THR 29 Ca 0.04 -2.05 -0.20 0.00 -1.18 0.00 0.00 61.69 58.30 2k2j s THR 29 Cb -0.13 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 2k2j s THR 29 CO 0.02 -0.36 0.58 -0.60 -0.54 0.00 0.00 174.62 173.72 2k2j s ARG 30 N -3.84 4.14 -0.11 3.99 3.52 -1.26 -3.92 118.95 121.47 2k2j s ARG 30 Ca 0.28 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.40 2k2j s ARG 30 Cb 0.05 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 2k2j s ARG 30 CO 0.08 -0.31 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.02 2k2j s HIS 31 N 2.17 2.59 -0.58 5.12 3.76 -0.47 -3.22 115.29 124.68 2k2j s HIS 31 Ca 0.25 -1.07 -0.27 0.00 -0.15 0.00 0.00 55.06 53.82 2k2j s HIS 31 Cb -0.16 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.80 2k2j s HIS 31 CO 0.09 -0.44 1.57 -0.47 -0.85 0.00 0.00 174.74 174.65 2k2j s TYR 32 N 0.42 2.04 0.37 1.40 5.04 -1.26 -1.43 117.35 123.93 2k2j s TYR 32 Ca -0.17 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2k2j s TYR 32 Cb -0.17 -4.30 -0.03 0.00 0.35 0.00 0.00 41.96 37.80 2k2j s TYR 32 CO 0.07 -2.19 0.58 0.00 -1.34 0.00 0.00 175.55 172.67 2k2j s ALA 34 N -2.37 -2.62 -0.20 0.00 0.00 -0.72 -2.05 121.76 113.80 2k2j s ALA 34 Ca 0.41 2.00 -0.21 0.00 0.00 0.00 0.00 51.96 54.17 2k2j s ALA 34 Cb -0.10 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2k2j s ALA 34 CO 0.37 -1.06 0.65 0.42 0.00 0.00 0.00 175.76 176.13 2k2j s ILE 35 N 2.66 5.01 -0.14 0.00 1.01 -0.97 -1.48 121.20 127.27 2k2j s ILE 35 Ca -0.00 1.23 -0.13 0.00 0.00 0.00 0.00 60.65 61.75 2k2j s ILE 35 Cb -0.09 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.46 2k2j s ILE 35 CO -0.17 0.10 0.38 0.00 0.00 0.00 0.00 174.94 175.25 2k2j s ALA 36 N 1.95 -0.94 -1.34 9.38 0.00 0.50 -4.48 121.76 126.84 2k2j s ALA 36 Ca 0.30 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 2k2j s ALA 36 Cb -0.16 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2k2j s ALA 36 CO 0.10 -0.18 1.05 -0.25 0.00 0.00 0.00 175.76 176.49 2k2j n ASP 37 N 2.95 -4.41 -1.05 0.00 9.92 -1.26 -1.07 116.55 121.63 2k2j n ASP 37 Ca -0.14 -0.63 -0.14 0.00 -0.53 0.00 0.00 54.79 53.36 2k2j n ASP 37 Cb 0.57 -4.78 -0.06 0.00 -0.64 0.00 0.00 41.12 36.21 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j n ALA 38 N -4.64 -0.21 -2.54 2.24 0.00 -1.26 -4.95 120.51 109.14 2k2j n ALA 38 Ca -0.10 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 2k2j n ALA 38 Cb 0.60 -1.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.12 1.82 -0.13 0.00 1.02 -0.24 -4.32 119.74 114.77 2k2j s LYS 39 Ca 0.00 -2.03 -0.01 0.00 0.02 0.00 0.00 55.97 53.95 2k2j s LYS 39 Cb 0.00 -1.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.08 2k2j s LYS 39 CO 0.00 -0.13 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.09 2k2j s LEU 40 N -3.61 1.24 -0.24 3.17 2.96 -0.90 -0.37 118.68 120.93 2k2j s LEU 40 Ca 0.35 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2k2j s LEU 40 Cb 0.09 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 2k2j s LEU 40 CO 0.16 -0.17 0.06 -0.94 -1.32 0.00 0.00 176.35 174.14 2k2j s SER 41 N 1.74 5.06 -0.11 3.68 1.04 -0.55 -0.41 113.70 124.15 2k2j s SER 41 Ca 0.03 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 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 -0.07 -0.02 0.05 0.72 0.98 0.00 0.00 173.24 174.89 2k2j s PHE 42 N 1.52 3.29 0.36 5.02 -0.71 -0.32 -1.76 117.98 125.37 2k2j s PHE 42 Ca 0.06 0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 56.20 2k2j s PHE 42 Cb -0.15 -1.86 -0.04 0.00 -1.21 0.00 0.00 43.02 39.76 2k2j s PHE 42 CO 0.03 0.50 0.58 -1.12 -1.34 0.00 0.00 175.22 173.87 2k2j s SER 43 N -0.76 6.31 1.06 1.98 0.01 -0.17 -1.28 113.70 120.85 2k2j s SER 43 Ca 0.12 0.56 -0.12 0.00 1.31 0.00 0.00 55.95 57.83 2k2j s SER 43 Cb -0.12 -2.08 0.23 0.00 0.21 0.00 0.00 66.02 64.26 2k2j s SER 43 CO 0.03 -0.32 1.07 1.51 0.41 0.00 0.00 173.24 175.94 2k2j s ASP 44 N -3.91 1.76 -0.19 2.44 -4.77 -1.22 -4.03 116.67 106.75 2k2j s ASP 44 Ca 0.42 1.76 -0.39 0.00 -3.30 0.00 0.00 52.55 51.04 2k2j s ASP 44 Cb -0.10 -2.40 -0.15 0.00 -1.09 0.00 0.00 42.92 39.18 2k2j s ASP 44 CO 0.36 -3.76 1.70 0.47 0.70 0.00 0.00 175.17 174.65 2k2j n ASP 45 N -4.64 2.44 -0.07 2.11 9.92 -1.26 -4.59 116.55 120.47 2k2j n ASP 45 Ca 0.06 1.07 -0.10 0.00 -0.53 0.00 0.00 54.79 55.29 2k2j n ASP 45 Cb 0.53 -1.18 -0.15 0.00 -0.64 0.00 0.00 41.12 39.68 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 4.35 1.50 -0.10 0.53 -5.35 -1.20 -3.08 119.36 116.01 2k2j n ILE 46 Ca 0.25 -0.81 -0.24 0.00 -0.27 0.00 0.00 62.75 61.68 2k2j n ILE 46 Cb 0.16 -0.79 -0.11 0.00 -1.74 0.00 0.00 39.64 37.15 2k2j n ILE 46 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2k2j n GLU 47 N -2.93 0.60 0.07 6.28 1.02 -1.26 -4.55 120.64 119.87 2k2j n GLU 47 Ca -0.27 0.42 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 2k2j n GLU 47 Cb 1.10 -1.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.72 2k2j n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k2j h GLN 48 N -0.79 0.35 -4.44 3.49 1.08 -1.91 -3.50 115.11 109.39 2k2j h GLN 48 Ca -0.48 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.13 2k2j h GLN 48 Cb 1.53 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 2k2j h GLN 48 CO -0.22 1.29 -0.60 0.25 -0.95 0.00 0.00 178.83 178.59 2k2j n THR 49 N -4.02 -8.22 -3.37 -0.54 -2.24 -1.18 -4.89 114.28 89.82 2k2j n THR 49 Ca -0.15 1.94 -0.45 0.00 -2.27 0.00 0.00 64.05 63.12 2k2j n THR 49 Cb 0.89 -4.30 -0.05 0.00 -2.10 0.00 0.00 70.33 64.78 2k2j n THR 49 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2k2j s MET 50 N -0.37 3.14 -0.27 -0.78 -1.94 -1.26 -4.98 119.30 112.85 2k2j s MET 50 Ca 0.00 -2.05 -0.02 0.00 -1.71 0.00 0.00 55.69 51.91 2k2j s MET 50 Cb 0.00 -4.27 0.12 0.00 2.01 0.00 0.00 34.83 32.68 2k2j s MET 50 CO 0.00 -1.29 0.25 -1.21 -0.01 0.00 0.00 175.02 172.76 2k2j s GLU 51 N 0.92 0.27 0.01 2.03 2.02 -1.26 -5.00 118.70 117.70 2k2j s GLU 51 Ca 0.10 -0.11 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 2k2j s GLU 51 Cb -0.21 -0.89 -0.16 0.00 0.10 0.00 0.00 34.13 32.97 2k2j s GLU 51 CO -0.02 -0.92 1.18 0.93 0.02 0.00 0.00 175.26 176.44 2k2j h GLU 52 N 8.30 -0.73 -0.03 1.61 4.39 -2.04 -3.35 114.58 122.73 2k2j h GLU 52 Ca -0.15 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k2j h GLU 52 Cb 1.09 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2k2j h GLU 52 CO 0.34 -0.43 0.00 -0.40 -1.16 0.00 0.00 179.01 177.36 2k2j n ASP 53 N -5.32 2.43 -3.18 1.42 5.68 -1.26 -5.02 116.55 111.31 2k2j n ASP 53 Ca -0.11 -2.86 -0.06 0.00 -0.50 0.00 0.00 54.79 51.25 2k2j n ASP 53 Cb 0.33 -0.36 0.02 0.00 -1.14 0.00 0.00 41.12 39.97 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k2j n ASN 54 N -1.14 -7.25 0.29 -1.12 4.13 -1.26 -4.97 115.26 103.94 2k2j n ASN 54 Ca 0.13 -0.30 -0.13 0.00 1.68 0.00 0.00 54.58 55.96 2k2j n ASN 54 Cb 0.59 -4.92 -0.06 0.00 -1.54 0.00 0.00 39.78 33.85 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k2j h PRO 55 N 0.01 -0.76 -0.80 3.52 0.11 -1.94 -3.46 132.00 128.68 2k2j h PRO 55 Ca -0.19 0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.07 2k2j h PRO 55 Cb 1.11 0.17 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 2k2j h PRO 55 CO 0.34 -0.49 -0.23 -1.17 -0.21 0.00 0.00 178.00 176.24 2k2j s LEU 56 N -9.41 -1.23 -0.80 2.35 2.96 -1.26 -5.05 118.68 106.24 2k2j s LEU 56 Ca -0.12 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2k2j s LEU 56 Cb 0.01 1.87 0.03 0.00 0.50 0.00 0.00 46.19 48.61 2k2j s LEU 56 CO 0.37 -0.23 2.76 0.61 -1.32 0.00 0.00 176.35 178.54 2k2j n GLY 57 N 5.38 4.49 3.47 7.98 0.00 -1.26 -4.97 105.19 120.27 2k2j n GLY 57 Ca 0.03 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2k2j n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k2j s SER 58 N 0.70 0.58 -0.04 1.61 1.04 -1.26 -5.02 113.70 111.31 2k2j s SER 58 Ca 0.59 1.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.22 2k2j s SER 58 Cb 0.29 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.55 2k2j s SER 58 CO -0.14 -4.40 -0.04 0.25 0.98 0.00 0.00 173.24 169.89 2k2j h LEU 59 N -2.76 0.00 -8.68 2.42 7.12 -1.98 -3.41 115.31 108.02 2k2j h LEU 59 Ca -0.56 0.00 -0.49 0.00 0.13 0.00 0.00 57.88 56.96 2k2j h LEU 59 Cb 1.34 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 2k2j h LEU 59 CO 0.45 0.19 1.58 0.00 -0.13 0.00 0.00 178.44 180.53 2k2j n ARG 61 N 8.96 0.24 0.00 0.00 3.00 -0.41 -4.94 116.66 123.51 2k2j n ARG 61 Ca 0.34 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 2k2j n ARG 61 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.37 2k2j n ARG 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k2j n GLY 62 N 1.38 2.69 2.99 5.14 0.00 -1.12 -4.97 105.19 111.30 2k2j n GLY 62 Ca 0.03 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 2k2j n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2j s ILE 63 N -2.00 0.50 -0.37 -0.61 1.01 -1.26 -1.18 121.20 117.30 2k2j s ILE 63 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 2k2j s ILE 63 Cb 0.00 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2k2j s ILE 63 CO 0.00 0.02 0.21 -0.76 0.00 0.00 0.00 174.94 174.40 2k2j s LEU 64 N -0.48 4.69 0.57 2.97 2.01 0.46 -4.91 118.68 123.98 2k2j s LEU 64 Ca -0.00 -0.94 0.30 0.00 0.01 0.00 0.00 54.13 53.50 2k2j s LEU 64 Cb -0.04 -2.03 1.46 0.00 0.01 0.00 0.00 46.19 45.58 2k2j s LEU 64 CO -0.00 -0.37 1.86 0.44 1.01 0.00 0.00 176.35 179.29 2k2j h ASP 65 N 8.44 0.00 0.00 2.29 3.32 -1.88 -2.39 116.42 126.20 2k2j h ASP 65 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2k2j h ASP 65 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2k2j h ASP 65 CO 0.67 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 178.37 2k2j n LEU 66 N -3.95 1.00 -0.00 1.55 4.77 -1.26 -4.45 117.00 114.66 2k2j n LEU 66 Ca 0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 2k2j n LEU 66 Cb 0.86 -1.96 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 2k2j n LEU 66 CO 0.33 -0.73 -0.20 0.59 -1.33 0.00 0.00 177.39 176.05 2k2j n ASN 67 N -0.46 0.71 -3.19 -1.43 5.03 -1.26 -3.78 115.26 110.88 2k2j n ASN 67 Ca 0.00 -0.67 -0.19 0.00 0.87 0.00 0.00 54.58 54.59 2k2j n ASN 67 Cb 0.23 1.20 -0.04 0.00 -1.02 0.00 0.00 39.78 40.15 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2k2j n THR 68 N -1.72 -0.17 -4.00 3.41 -2.24 -1.26 -5.00 114.28 103.30 2k2j n THR 68 Ca 0.02 -4.53 -0.09 0.00 -2.27 0.00 0.00 64.05 57.18 2k2j n THR 68 Cb 0.40 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2k2j s TYR 69 N -2.26 0.41 -0.03 4.78 2.02 -1.26 -0.74 117.35 120.28 2k2j s TYR 69 Ca 0.39 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2k2j s TYR 69 Cb 0.32 0.18 0.02 0.00 -0.40 0.00 0.00 41.96 42.09 2k2j s TYR 69 CO -0.09 -1.02 0.00 -0.80 -1.57 0.00 0.00 175.55 172.08 2k2j s ASN 70 N -3.04 0.37 -0.21 2.29 0.01 0.68 -4.76 114.94 110.29 2k2j s ASN 70 Ca 0.23 -0.02 -0.14 0.00 -0.71 0.00 0.00 52.86 52.22 2k2j s ASN 70 Cb -0.01 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 2k2j s ASN 70 CO 0.10 -0.09 0.31 -0.69 -1.51 0.00 0.00 177.10 175.22 2k2j s VAL 71 N 0.91 5.27 -0.09 1.60 1.01 -1.26 -0.58 120.40 127.26 2k2j s VAL 71 Ca -0.09 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 2k2j s VAL 71 Cb -0.12 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2k2j s VAL 71 CO -0.02 0.30 -0.05 0.68 0.00 0.00 0.00 175.10 176.02 2k2j s VAL 72 N 1.11 0.75 -0.55 2.92 -7.23 -0.75 -4.97 120.40 111.68 2k2j s VAL 72 Ca 0.15 -0.13 -0.28 0.00 -1.81 0.00 0.00 61.98 59.91 2k2j s VAL 72 Cb -0.14 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 35.99 2k2j s VAL 72 CO 0.06 0.31 1.52 -0.75 -0.31 0.00 0.00 175.10 175.93 2k2j s LYS 73 N 1.67 3.20 -0.19 4.82 2.20 -1.26 -1.16 119.74 129.02 2k2j s LYS 73 Ca 0.02 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.90 2k2j s LYS 73 Cb -0.13 -4.17 -0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2k2j s LYS 73 CO -0.06 -2.05 1.12 0.00 -0.36 0.00 0.00 175.35 173.99 2k2j s ALA 74 N 6.59 3.65 0.61 3.13 0.00 0.40 -4.97 121.76 131.16 2k2j s ALA 74 Ca 0.57 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 2k2j s ALA 74 Cb -0.12 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2k2j s ALA 74 CO 0.25 -1.04 1.04 -2.14 0.00 0.00 0.00 175.76 173.87 2k2j s PRO 75 N 3.15 3.39 -0.60 0.00 0.02 -1.26 -2.82 135.00 136.88 2k2j s PRO 75 Ca 0.48 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.53 2k2j s PRO 75 Cb -0.18 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2k2j s PRO 75 CO 0.10 -0.74 0.00 1.04 -0.33 0.00 0.00 177.00 177.07 2k2j n GLN 76 N -2.31 -1.80 -0.18 5.54 6.02 -1.19 -4.68 117.38 118.77 2k2j n GLN 76 Ca 0.08 0.62 0.02 0.00 -0.01 0.00 0.00 57.00 57.71 2k2j n GLN 76 Cb 0.53 -4.85 -0.01 0.00 1.02 0.00 0.00 30.24 26.94 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 77 N 0.47 -1.03 3.04 1.08 0.00 0.10 -4.22 105.19 104.63 2k2j n GLY 77 Ca -0.06 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 2k2j n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2j s LYS 78 N -0.28 0.46 0.07 1.61 1.02 -1.24 -4.83 119.74 116.56 2k2j s LYS 78 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2k2j s LYS 78 Cb 0.00 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2k2j s LYS 78 CO 0.00 -0.08 0.00 0.09 -0.92 0.00 0.00 175.35 174.44 2k2j n ASN 79 N 0.88 0.00 -0.40 2.83 3.02 -1.26 -1.13 115.26 119.19 2k2j n ASN 79 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2k2j n ASN 79 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 -3.44 3.52 6.02 -1.26 -5.11 117.38 117.10 2k2j n GLN 80 Ca 0.00 -0.69 -0.22 0.00 -0.01 0.00 0.00 57.00 56.08 2k2j n GLN 80 Cb 0.00 -0.38 0.01 0.00 1.02 0.00 0.00 30.24 30.89 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k2j s LYS 81 N 0.00 2.37 -0.00 -1.09 -0.14 -0.29 -5.05 119.74 115.54 2k2j s LYS 81 Ca 0.00 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 52.89 2k2j s LYS 81 Cb 0.00 -2.40 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2k2j s LYS 81 CO 0.00 -0.59 0.00 0.45 -0.76 0.00 0.00 175.35 174.45 2k2j n SER 82 N -1.90 4.94 -3.86 2.83 2.88 -1.26 -3.61 113.62 113.63 2k2j n SER 82 Ca 0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 2k2j n SER 82 Cb 0.62 0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 64.62 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k2j s PHE 83 N -2.01 2.36 0.06 0.66 0.08 -1.26 0.00 117.98 117.87 2k2j s PHE 83 Ca -0.00 -1.99 0.05 0.00 0.12 0.00 0.00 56.93 55.11 2k2j s PHE 83 Cb 0.00 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 2k2j s PHE 83 CO 0.01 -0.85 -0.15 0.08 -0.10 0.00 0.00 175.22 174.21 2k2j s VAL 84 N 1.40 1.17 0.14 -0.44 1.01 -1.13 -3.95 120.40 118.60 2k2j s VAL 84 Ca 0.05 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.88 2k2j s VAL 84 Cb -0.18 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2k2j s VAL 84 CO -0.14 -0.14 -0.20 -0.36 0.00 0.00 0.00 175.10 174.26 2k2j s PHE 85 N -1.13 1.83 -0.04 5.22 0.40 -0.93 0.15 117.98 123.48 2k2j s PHE 85 Ca -0.00 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2k2j s PHE 85 Cb -0.09 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.49 2k2j s PHE 85 CO 0.02 0.28 -0.11 0.42 0.70 0.00 0.00 175.22 176.53 2k2j s ILE 86 N -1.61 0.99 -0.21 0.64 1.01 -0.31 -0.97 121.20 120.74 2k2j s ILE 86 Ca 0.12 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 2k2j s ILE 86 Cb -0.08 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2k2j s ILE 86 CO 0.06 0.31 0.31 -0.76 0.00 0.00 0.00 174.94 174.86 2k2j s LEU 87 N 0.35 4.15 -0.29 2.97 1.43 -0.01 -1.81 118.68 125.47 2k2j s LEU 87 Ca -0.07 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 2k2j s LEU 87 Cb -0.12 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2k2j s LEU 87 CO 0.02 -0.01 0.00 -1.61 0.23 0.00 0.00 176.35 174.98 2k2j s GLU 88 N 1.14 2.61 0.16 1.70 2.02 0.25 -2.46 118.70 124.12 2k2j s GLU 88 Ca 0.15 -1.15 -0.31 0.00 0.02 0.00 0.00 54.97 53.68 2k2j s GLU 88 Cb -0.14 -3.18 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 2k2j s GLU 88 CO 0.06 -0.56 1.75 -1.25 0.02 0.00 0.00 175.26 175.29 2k2j s PRO 89 N 1.31 4.14 0.00 0.39 0.04 -1.26 -0.23 135.00 139.39 2k2j s PRO 89 Ca -0.03 2.57 0.08 0.00 0.04 0.00 0.00 61.00 63.66 2k2j s PRO 89 Cb -0.19 -3.32 0.49 0.00 0.04 0.00 0.00 34.50 31.52 2k2j s PRO 89 CO -0.01 -0.78 1.17 1.63 0.04 0.00 0.00 177.00 179.05 2k2j n LYS 90 N 4.77 0.83 -3.82 4.56 5.02 0.08 -4.62 118.16 124.99 2k2j n LYS 90 Ca 0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.09 2k2j n LYS 90 Cb 0.37 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 2k2j n LYS 90 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2k2j s GLN 91 N -2.00 3.08 0.23 1.97 -2.07 -1.26 -5.01 119.66 114.60 2k2j s GLN 91 Ca 0.12 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 2k2j s GLN 91 Cb 0.06 -3.25 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 2k2j s GLN 91 CO 0.09 -0.40 0.00 0.00 -1.32 0.00 0.00 175.29 173.67 2k2j n GLN 92 N 4.82 0.00 -1.52 9.60 10.64 -1.26 -2.87 117.38 136.78 2k2j n GLN 92 Ca -0.15 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.71 2k2j n GLN 92 Cb 0.48 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.87 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2j n GLY 93 N 0.00 4.92 3.60 2.61 0.00 -1.26 -4.92 105.19 110.14 2k2j n GLY 93 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2k2j n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2j s ASP 94 N -0.46 2.10 0.40 1.61 1.01 -1.14 -4.96 116.67 115.24 2k2j s ASP 94 Ca 0.54 1.84 -0.26 0.00 0.71 0.00 0.00 52.55 55.38 2k2j s ASP 94 Cb 0.40 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.81 2k2j s ASP 94 CO -0.23 -3.56 1.31 -2.16 0.21 0.00 0.00 175.17 170.74 2k2j s PRO 95 N -4.59 3.98 0.63 8.23 0.04 -1.26 -4.76 135.00 137.27 2k2j s PRO 95 Ca 0.67 2.16 -0.04 0.00 0.04 0.00 0.00 61.00 63.83 2k2j s PRO 95 Cb -0.23 -2.77 0.04 0.00 0.04 0.00 0.00 34.50 31.57 2k2j s PRO 95 CO 0.61 -0.48 0.91 -1.25 0.04 0.00 0.00 177.00 176.83 2k2j s PRO 96 N -2.22 2.52 -0.05 0.56 0.04 -1.26 -4.64 135.00 129.96 2k2j s PRO 96 Ca 0.56 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.30 2k2j s PRO 96 Cb -0.38 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 31.90 2k2j s PRO 96 CO 0.49 -0.92 -0.03 0.08 0.04 0.00 0.00 177.00 176.66 2k2j s VAL 97 N -3.03 0.45 -0.06 -0.36 1.01 -1.03 -4.98 120.40 112.40 2k2j s VAL 97 Ca 0.57 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2k2j s VAL 97 Cb -0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2k2j s VAL 97 CO 0.43 0.22 0.13 -1.61 0.00 0.00 0.00 175.10 174.27 2k2j s GLU 98 N 1.10 3.33 0.18 2.72 8.01 -1.26 -0.83 118.70 131.96 2k2j s GLU 98 Ca -0.08 -0.28 0.04 0.00 0.01 0.00 0.00 54.97 54.65 2k2j s GLU 98 Cb -0.14 -3.06 -0.05 0.00 -4.31 0.00 0.00 34.13 26.57 2k2j s GLU 98 CO -0.01 0.71 -0.05 -0.06 0.01 0.00 0.00 175.26 175.86 2k2j s PHE 99 N -1.15 1.37 0.09 1.61 0.40 -0.15 -1.86 117.98 118.30 2k2j s PHE 99 Ca 0.20 -0.85 -0.25 0.00 -0.60 0.00 0.00 56.93 55.44 2k2j s PHE 99 Cb -0.12 -0.75 0.07 0.00 0.51 0.00 0.00 43.02 42.73 2k2j s PHE 99 CO 0.11 0.00 0.60 0.00 0.70 0.00 0.00 175.22 176.63 2k2j s ALA 100 N -3.40 -1.59 0.19 5.36 0.00 -0.84 -2.18 121.76 119.30 2k2j s ALA 100 Ca 0.22 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.88 2k2j s ALA 100 Cb 0.04 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 2k2j s ALA 100 CO 0.04 -0.64 0.02 0.25 0.00 0.00 0.00 175.76 175.44 2k2j n THR 101 N 0.04 0.00 0.27 0.00 -2.24 -1.25 -2.77 114.28 108.31 2k2j n THR 101 Ca -0.18 -0.95 0.03 0.00 -2.27 0.00 0.00 64.05 60.69 2k2j n THR 101 Cb 0.62 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 2k2j n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k2j n ASP 102 N -1.42 0.93 -4.01 3.42 5.75 -1.26 -4.92 116.55 115.04 2k2j n ASP 102 Ca -0.06 -0.53 -0.13 0.00 -0.01 0.00 0.00 54.79 54.06 2k2j n ASP 102 Cb 0.25 1.07 -0.09 0.00 -1.03 0.00 0.00 41.12 41.32 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2k2j s ARG 103 N -1.83 1.35 0.05 0.11 0.52 -1.26 -5.07 118.95 112.83 2k2j s ARG 103 Ca 0.02 -1.67 -0.14 0.00 -0.52 0.00 0.00 55.73 53.42 2k2j s ARG 103 Cb 0.05 0.30 -0.29 0.00 0.52 0.00 0.00 34.95 35.53 2k2j s ARG 103 CO 0.29 -0.47 1.09 0.28 0.02 0.00 0.00 175.30 176.52 2k2j h VAL 104 N 2.49 1.30 0.20 3.52 2.07 -1.99 -3.00 116.25 120.84 2k2j h VAL 104 Ca -0.33 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.65 2k2j h VAL 104 Cb 1.25 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2k2j h VAL 104 CO 0.48 0.77 -0.10 -0.33 0.02 0.00 0.00 177.57 178.41 2k2j h GLU 105 N 0.25 -0.26 -0.02 1.57 5.08 -1.99 -2.02 114.58 117.18 2k2j h GLU 105 Ca -0.20 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k2j h GLU 105 Cb 1.96 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 2k2j h GLU 105 CO 0.24 -0.06 0.02 0.93 -1.00 0.00 0.00 179.01 179.14 2k2j h GLU 106 N -0.43 0.00 0.39 2.33 4.39 -1.99 -0.46 114.58 118.81 2k2j h GLU 106 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2k2j h GLU 106 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2k2j h GLU 106 CO 0.05 0.00 -0.19 1.25 -1.16 0.00 0.00 179.01 178.96 2k2j h LEU 107 N 0.00 -0.44 -1.44 1.33 5.85 -1.29 -2.20 115.31 117.12 2k2j h LEU 107 Ca 0.01 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2k2j h LEU 107 Cb 0.04 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k2j h LEU 107 CO -0.00 -0.03 -0.27 0.15 -0.34 0.00 0.00 178.44 177.95 2k2j h PHE 108 N -0.94 0.00 0.35 1.25 3.57 -1.07 -1.08 116.94 119.03 2k2j h PHE 108 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2k2j h PHE 108 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2k2j h PHE 108 CO 0.02 0.27 -0.17 1.49 -2.23 0.00 0.00 178.31 177.70 2k2j h GLU 109 N 0.00 -0.46 -0.04 1.11 4.57 -1.10 -2.33 114.58 116.33 2k2j h GLU 109 Ca -0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.57 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2k2j h GLU 109 CO 0.04 -0.18 -0.03 -1.49 -1.18 0.00 0.00 179.01 176.16 2k2j h TRP 110 N -1.03 0.11 -0.09 0.92 4.06 -1.42 -2.84 115.95 115.66 2k2j h TRP 110 Ca -0.05 -0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.79 2k2j h TRP 110 Cb 0.49 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 2k2j h TRP 110 CO 0.03 0.53 -0.29 0.74 -3.56 0.00 0.00 178.44 175.89 2k2j h PHE 111 N -0.34 0.19 -0.19 0.49 0.04 -1.35 -1.31 116.94 114.47 2k2j h PHE 111 Ca 0.01 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 2k2j h PHE 111 Cb 0.51 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2k2j h PHE 111 CO 0.08 0.45 -0.48 0.37 -0.60 0.00 0.00 178.31 178.13 2k2j h GLN 112 N 0.15 0.50 -0.04 1.51 -0.00 -1.45 -2.35 115.11 113.43 2k2j h GLN 112 Ca 0.02 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.37 2k2j h GLN 112 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.09 2k2j h GLN 112 CO 0.04 0.87 -0.02 1.03 0.00 0.00 0.00 178.83 180.75 2k2j h SER 113 N 0.40 0.10 -0.79 -0.69 0.87 -1.19 0.21 113.55 112.46 2k2j h SER 113 Ca 0.02 -0.43 0.15 0.00 -1.23 0.00 0.00 61.79 60.30 2k2j h SER 113 Cb 0.99 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 2k2j h SER 113 CO 0.09 0.51 0.52 0.40 -0.53 0.00 0.00 176.83 177.82 2k2j h ILE 114 N -0.31 0.80 0.01 2.23 2.04 -1.24 0.22 117.51 121.25 2k2j h ILE 114 Ca 0.01 -0.16 -0.20 0.00 1.00 0.00 0.00 64.86 65.50 2k2j h ILE 114 Cb 0.47 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2k2j h ILE 114 CO 0.01 0.09 -0.91 -0.09 0.00 0.00 0.00 178.15 177.24 2k2j h ARG 115 N 0.47 0.21 0.00 2.37 2.43 -1.20 -2.59 114.38 116.07 2k2j h ARG 115 Ca 0.39 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2k2j h ARG 115 Cb 0.83 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2k2j h ARG 115 CO -0.14 0.98 0.12 0.93 -1.51 0.00 0.00 179.97 180.35 2k2j h GLU 116 N 0.11 0.00 0.00 0.20 5.08 0.28 0.48 114.58 120.73 2k2j h GLU 116 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2k2j h GLU 116 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2k2j h GLU 116 CO 0.14 0.00 -1.58 -0.89 -1.00 0.00 0.00 179.01 175.68 2k2j n ILE 117 N -2.87 0.10 -0.38 3.13 5.41 -1.08 -3.22 119.36 120.46 2k2j n ILE 117 Ca -0.02 -0.30 0.07 0.00 1.00 0.00 0.00 62.75 63.50 2k2j n ILE 117 Cb 0.17 0.10 0.22 0.00 -0.71 0.00 0.00 39.64 39.43 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 -1.98 1.29 0.00 1.39 -2.24 -0.47 -4.62 114.28 107.64 2k2j n THR 118 Ca -0.04 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 2k2j n THR 118 Cb 0.39 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2k2j n THR 118 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2k2j n TRP 119 N 0.63 -0.15 -3.94 4.78 7.02 0.16 -4.72 117.44 121.22 2k2j n TRP 119 Ca 0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.34 2k2j n TRP 119 Cb 0.58 0.07 -0.04 0.00 -2.42 0.00 0.00 31.31 29.50 2k2j n TRP 119 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2k2j s LYS 120 N -1.14 3.36 -0.27 -0.99 1.02 -1.07 -5.02 119.74 115.63 2k2j s LYS 120 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 2k2j s LYS 120 Cb 0.00 -3.00 0.08 0.00 -0.52 0.00 0.00 37.83 34.39 2k2j s LYS 120 CO 0.00 0.60 0.03 0.42 -0.92 0.00 0.00 175.35 175.49 2k2j s ILE 121 N -1.49 1.20 -0.41 2.17 1.01 -1.26 -4.15 121.20 118.28 2k2j s ILE 121 Ca 0.34 -1.31 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 2k2j s ILE 121 Cb -0.13 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.64 2k2j s ILE 121 CO 0.27 -0.40 0.29 -1.81 0.00 0.00 0.00 174.94 173.29 2k2j s ASP 122 N 1.50 6.04 0.10 3.58 1.11 -1.26 -4.91 116.67 122.81 2k2j s ASP 122 Ca 0.03 -0.95 0.24 0.00 0.18 0.00 0.00 52.55 52.05 2k2j s ASP 122 Cb -0.18 -2.13 0.41 0.00 1.07 0.00 0.00 42.92 42.09 2k2j s ASP 122 CO -0.14 -0.45 1.36 1.07 1.18 0.00 0.00 175.17 178.19 2k2j n THR 123 N 5.13 0.29 1.38 -1.27 5.66 -1.26 -5.12 114.28 119.08 2k2j n THR 123 Ca -0.11 -0.22 0.14 0.00 -3.05 0.00 0.00 64.05 60.81 2k2j n THR 123 Cb 0.47 -0.08 0.43 0.00 -1.55 0.00 0.00 70.33 69.59 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31