#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 -1.24 0.00 1.97 4.76 -1.26 -4.91 118.16 117.48 2k2j n LYS 9 Ca 0.00 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 2k2j n LYS 9 Cb 0.00 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k2j n ASP 10 N -3.61 0.49 -0.93 4.39 5.75 -1.26 -5.16 116.55 116.22 2k2j n ASP 10 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.82 2k2j n ASP 10 Cb 0.28 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k2j n GLU 11 N -1.69 -0.49 -2.13 0.11 -0.58 -1.26 -5.02 120.64 109.58 2k2j n GLU 11 Ca 0.00 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2k2j n GLU 11 Cb 0.07 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 2k2j n GLU 11 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k2j n HIS 12 N -2.11 -4.34 -2.30 -0.32 -0.00 -1.26 -4.91 115.22 99.98 2k2j n HIS 12 Ca 0.00 2.59 -0.02 0.00 0.46 0.00 0.00 57.72 60.76 2k2j n HIS 12 Cb 0.11 -3.62 -0.01 0.00 -0.12 0.00 0.00 29.99 26.35 2k2j n HIS 12 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2k2j n LYS 13 N 1.65 -4.56 -3.24 1.57 5.02 -1.26 -4.92 118.16 112.41 2k2j n LYS 13 Ca 0.00 3.39 -0.44 0.00 -2.02 0.00 0.00 58.31 59.24 2k2j n LYS 13 Cb 0.00 -4.44 -0.07 0.00 -0.02 0.00 0.00 35.03 30.50 2k2j n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k2j s GLN 14 N -0.74 3.08 0.02 1.97 2.00 -1.26 -4.97 119.66 119.76 2k2j s GLN 14 Ca -0.08 -1.00 0.07 0.00 -2.00 0.00 0.00 55.36 52.35 2k2j s GLN 14 Cb 0.01 -4.09 -0.02 0.00 0.80 0.00 0.00 33.01 29.70 2k2j s GLN 14 CO 0.21 -1.12 -0.22 -0.65 -0.50 0.00 0.00 175.29 173.02 2k2j s GLN 15 N 2.29 1.57 0.00 1.67 -0.21 -1.26 -1.84 119.66 121.88 2k2j s GLN 15 Ca 0.12 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2k2j s GLN 15 Cb -0.20 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.16 2k2j s GLN 15 CO 0.11 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 2k2j n GLY 16 N 2.06 -0.79 3.24 3.09 0.00 -0.70 -5.00 105.19 107.09 2k2j n GLY 16 Ca -0.17 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.72 1.34 0.16 1.61 2.02 -1.26 -1.00 118.70 120.84 2k2j s GLU 17 Ca 0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 2k2j s GLU 17 Cb 0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 2k2j s GLU 17 CO 0.00 0.37 0.14 -0.51 0.02 0.00 0.00 175.26 175.28 2k2j s LEU 18 N -1.17 1.40 -0.06 1.80 1.43 -0.44 -4.84 118.68 116.80 2k2j s LEU 18 Ca 0.07 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2k2j s LEU 18 Cb -0.09 0.60 -0.02 0.00 0.03 0.00 0.00 46.19 46.72 2k2j s LEU 18 CO 0.02 -0.81 -0.19 -0.31 0.23 0.00 0.00 176.35 175.29 2k2j s TYR 19 N -4.04 2.59 -0.05 0.29 1.51 -1.19 -1.77 117.35 114.69 2k2j s TYR 19 Ca 0.25 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2k2j s TYR 19 Cb 0.06 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2k2j s TYR 19 CO 0.03 -0.00 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.73 2k2j s MET 20 N -0.43 1.32 -0.27 -0.62 -1.94 -1.26 -1.77 119.30 114.33 2k2j s MET 20 Ca 0.05 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.41 2k2j s MET 20 Cb -0.12 -1.16 -0.06 0.00 2.01 0.00 0.00 34.83 35.50 2k2j s MET 20 CO 0.02 0.04 2.24 1.87 -0.01 0.00 0.00 175.02 179.17 2k2j n TRP 21 N 3.69 1.85 -2.56 -0.03 -0.00 -0.79 -4.38 117.44 115.23 2k2j n TRP 21 Ca -0.22 -0.04 -0.41 0.00 -0.00 0.00 0.00 57.50 56.82 2k2j n TRP 21 Cb 0.52 -2.69 -0.03 0.00 -0.00 0.00 0.00 31.31 29.11 2k2j n TRP 21 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2k2j s ASP 22 N 8.52 6.20 0.00 5.87 2.15 -0.67 -4.78 116.67 133.96 2k2j s ASP 22 Ca 1.02 -0.38 0.18 0.00 0.43 0.00 0.00 52.55 53.81 2k2j s ASP 22 Cb -0.41 -2.56 1.08 0.00 -0.30 0.00 0.00 42.92 40.74 2k2j s ASP 22 CO 0.37 -1.78 1.51 -1.54 -0.17 0.00 0.00 175.17 173.56 2k2j n SER 23 N 9.22 0.00 -0.06 -0.34 3.41 -1.26 0.17 113.62 124.75 2k2j n SER 23 Ca 0.04 -0.82 -0.04 0.00 -0.26 0.00 0.00 58.87 57.79 2k2j n SER 23 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.00 -0.01 -1.33 1.08 -1.95 -3.40 117.51 111.90 2k2j h ILE 24 Ca 0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2k2j h ILE 24 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2k2j h ILE 24 CO 0.00 0.00 -0.45 0.47 -0.69 0.00 0.00 178.15 177.48 2k2j n ASP 25 N -4.27 1.16 -3.07 1.72 9.92 -1.24 -5.00 116.55 115.78 2k2j n ASP 25 Ca -0.06 -0.93 -0.04 0.00 -0.53 0.00 0.00 54.79 53.24 2k2j n ASP 25 Cb 0.21 0.35 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 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 -0.78 -1.57 -3.77 -1.24 3.00 0.13 -5.04 117.38 108.12 2k2j n GLN 26 Ca 0.09 1.59 -0.02 0.00 -0.01 0.00 0.00 57.00 58.65 2k2j n GLN 26 Cb 0.37 -5.48 -0.00 0.00 0.00 0.00 0.00 30.24 25.13 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k2j s LYS 27 N -3.03 0.98 -0.20 -1.09 -2.85 -1.09 -4.99 119.74 107.47 2k2j s LYS 27 Ca 0.06 -0.57 -0.06 0.00 -1.00 0.00 0.00 55.97 54.40 2k2j s LYS 27 Cb -0.02 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2k2j s LYS 27 CO 0.77 -0.45 0.02 -1.58 0.10 0.00 0.00 175.35 174.20 2k2j s TRP 28 N -2.73 3.09 0.40 1.78 0.52 -1.26 -1.68 118.94 119.05 2k2j s TRP 28 Ca 0.16 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 56.04 2k2j s TRP 28 Cb -0.00 -2.09 -0.06 0.00 -1.15 0.00 0.00 33.47 30.16 2k2j s TRP 28 CO 0.01 -0.15 0.07 0.95 0.02 0.00 0.00 176.95 177.85 2k2j s THR 29 N 0.90 2.22 -0.23 2.01 -4.23 -1.26 -5.05 115.64 109.99 2k2j s THR 29 Ca 0.02 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.45 2k2j s THR 29 Cb -0.14 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 2k2j s THR 29 CO 0.02 -0.04 0.56 -0.60 -0.54 0.00 0.00 174.62 174.03 2k2j s ARG 30 N -3.78 4.14 0.24 3.99 3.52 -1.26 -4.31 118.95 121.48 2k2j s ARG 30 Ca 0.37 0.45 0.12 0.00 -0.13 0.00 0.00 55.73 56.54 2k2j s ARG 30 Cb 0.06 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 2k2j s ARG 30 CO 0.20 -0.29 -0.22 -1.01 -0.81 0.00 0.00 175.30 173.18 2k2j s HIS 31 N 2.09 2.27 -0.41 5.12 3.76 -0.73 -3.81 115.29 123.58 2k2j s HIS 31 Ca 0.24 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.79 2k2j s HIS 31 Cb -0.16 -1.05 0.11 0.00 1.11 0.00 0.00 32.58 32.60 2k2j s HIS 31 CO 0.09 0.61 0.19 -0.47 -0.85 0.00 0.00 174.74 174.31 2k2j s TYR 32 N -2.15 3.60 0.48 1.40 5.04 -1.26 -1.33 117.35 123.13 2k2j s TYR 32 Ca 0.26 -2.59 0.02 0.00 -2.44 0.00 0.00 57.07 52.31 2k2j s TYR 32 Cb -0.06 -3.15 0.01 0.00 0.35 0.00 0.00 41.96 39.11 2k2j s TYR 32 CO 0.12 -0.95 0.69 0.00 -1.34 0.00 0.00 175.55 174.07 2k2j s ALA 34 N -2.59 -2.59 -0.04 0.00 0.00 -0.70 -1.72 121.76 114.11 2k2j s ALA 34 Ca 0.52 2.02 -0.21 0.00 0.00 0.00 0.00 51.96 54.29 2k2j s ALA 34 Cb -0.10 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2k2j s ALA 34 CO 0.37 -1.06 0.61 0.42 0.00 0.00 0.00 175.76 176.10 2k2j s ILE 35 N 2.67 5.00 -0.08 0.00 1.01 -0.77 -2.48 121.20 126.55 2k2j s ILE 35 Ca -0.00 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.89 2k2j s ILE 35 Cb -0.09 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.46 2k2j s ILE 35 CO -0.17 0.35 -0.02 0.00 0.00 0.00 0.00 174.94 175.10 2k2j s ALA 36 N 0.27 0.81 0.00 9.38 0.00 -0.22 -4.20 121.76 127.79 2k2j s ALA 36 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k2j s ALA 36 Cb -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2k2j s ALA 36 CO 0.16 -0.41 0.00 -0.25 0.00 0.00 0.00 175.76 175.26 2k2j n ASP 37 N 5.01 0.00 -0.23 0.00 8.00 -1.26 -1.41 116.55 126.65 2k2j n ASP 37 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 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 0.83 1.47 -2.38 2.24 0.00 -1.26 -5.08 120.51 116.32 2k2j n ALA 38 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2k2j n ALA 38 Cb 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 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 1.77 -0.27 0.00 1.02 -0.50 -4.30 119.74 117.45 2k2j s LYS 39 Ca 0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 2k2j s LYS 39 Cb 0.00 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 2k2j s LYS 39 CO 0.00 0.48 0.07 -1.17 -0.92 0.00 0.00 175.35 173.81 2k2j s LEU 40 N -0.86 3.65 -0.21 3.17 2.96 -0.97 -1.06 118.68 125.36 2k2j s LEU 40 Ca 0.09 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2k2j s LEU 40 Cb -0.09 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2k2j s LEU 40 CO 0.00 -0.13 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.92 2k2j s SER 41 N 1.54 4.34 -0.09 3.68 1.04 -1.04 -0.65 113.70 122.53 2k2j s SER 41 Ca 0.04 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 2k2j s SER 41 Cb -0.16 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.19 2k2j s SER 41 CO 0.03 0.01 -0.02 0.72 0.98 0.00 0.00 173.24 174.95 2k2j s PHE 42 N 1.33 3.08 0.44 5.02 -0.71 -0.39 -1.72 117.98 125.03 2k2j s PHE 42 Ca 0.04 0.09 -0.00 0.00 -1.04 0.00 0.00 56.93 56.02 2k2j s PHE 42 Cb -0.14 -1.79 -0.01 0.00 -1.21 0.00 0.00 43.02 39.87 2k2j s PHE 42 CO -0.02 0.37 0.66 -1.54 -1.34 0.00 0.00 175.22 173.35 2k2j s SER 43 N -0.71 5.91 0.87 1.98 1.04 -0.89 -1.30 113.70 120.60 2k2j s SER 43 Ca 0.11 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 2k2j s SER 43 Cb -0.12 -1.64 0.11 0.00 0.10 0.00 0.00 66.02 64.48 2k2j s SER 43 CO 0.02 -0.65 1.10 -0.62 0.98 0.00 0.00 173.24 174.07 2k2j s ASP 44 N -4.19 3.78 -0.46 7.02 2.15 -1.26 -4.19 116.67 119.53 2k2j s ASP 44 Ca 0.47 1.36 -0.44 0.00 0.43 0.00 0.00 52.55 54.37 2k2j s ASP 44 Cb -0.10 -2.05 -0.18 0.00 -0.30 0.00 0.00 42.92 40.29 2k2j s ASP 44 CO 0.38 -2.43 1.87 0.47 -0.17 0.00 0.00 175.17 175.30 2k2j n ASP 45 N -3.73 1.29 0.09 -0.34 9.92 -1.26 -4.71 116.55 117.80 2k2j n ASP 45 Ca 0.07 0.92 -0.07 0.00 -0.53 0.00 0.00 54.79 55.17 2k2j n ASP 45 Cb 0.56 -0.96 -0.01 0.00 -0.64 0.00 0.00 41.12 40.07 2k2j n ASP 45 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2k2j h ILE 46 N 5.96 1.55 0.00 0.53 3.07 -1.89 -3.37 117.51 123.36 2k2j h ILE 46 Ca -0.30 -2.79 0.00 0.00 1.55 0.00 0.00 64.86 63.32 2k2j h ILE 46 Cb 1.38 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 40.47 2k2j h ILE 46 CO 1.02 0.80 -0.45 -1.84 -1.05 0.00 0.00 178.15 176.64 2k2j n GLU 47 N -3.59 2.08 -0.47 0.16 0.28 -1.26 -4.77 120.64 113.07 2k2j n GLU 47 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.90 2k2j n GLU 47 Cb 0.82 -0.73 0.04 0.00 1.43 0.00 0.00 31.44 33.01 2k2j n GLU 47 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2k2j n GLN 48 N -1.08 1.40 -1.67 3.44 -0.06 -1.26 -4.94 117.38 113.21 2k2j n GLN 48 Ca 0.00 -0.91 -0.50 0.00 -2.00 0.00 0.00 57.00 53.59 2k2j n GLN 48 Cb 0.18 -1.36 -0.05 0.00 -4.06 0.00 0.00 30.24 24.95 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k2j n THR 49 N 0.23 0.27 1.51 1.69 -2.24 -1.26 -4.84 114.28 109.64 2k2j n THR 49 Ca 0.18 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2k2j n THR 49 Cb 0.76 -1.47 0.56 0.00 -2.10 0.00 0.00 70.33 68.09 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 4.83 1.33 -2.18 -0.78 0.00 -1.26 -4.90 117.12 114.16 2k2j n MET 50 Ca 0.21 -0.68 -0.32 0.00 0.00 0.00 0.00 57.70 56.92 2k2j n MET 50 Cb 0.24 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 31.96 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2k2j s GLU 51 N -2.14 3.80 0.00 0.03 2.02 -1.26 -5.02 118.70 116.13 2k2j s GLU 51 Ca 0.36 0.86 -0.02 0.00 0.02 0.00 0.00 54.97 56.19 2k2j s GLU 51 Cb 0.21 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 2k2j s GLU 51 CO 0.39 -0.39 1.03 1.49 0.02 0.00 0.00 175.26 177.79 2k2j h GLU 52 N 0.40 -0.06 -0.08 1.61 4.81 -2.02 -3.36 114.58 115.86 2k2j h GLU 52 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2k2j h GLU 52 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k2j h GLU 52 CO 0.62 -0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.45 2k2j n ASP 53 N -2.20 2.40 -3.31 1.04 5.75 -1.26 -5.02 116.55 113.96 2k2j n ASP 53 Ca -0.01 -2.34 -0.12 0.00 -0.01 0.00 0.00 54.79 52.31 2k2j n ASP 53 Cb 0.03 -0.19 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 2k2j n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2k2j n ASN 54 N -0.54 -6.73 0.23 -1.12 4.05 -1.26 -4.96 115.26 104.94 2k2j n ASN 54 Ca 0.08 -0.51 -0.12 0.00 0.45 0.00 0.00 54.58 54.47 2k2j n ASN 54 Cb 0.43 -4.51 -0.07 0.00 1.23 0.00 0.00 39.78 36.86 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2k2j h PRO 55 N -0.44 -0.61 -6.01 1.20 0.11 -1.95 -3.47 132.00 120.83 2k2j h PRO 55 Ca -0.35 0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 2k2j h PRO 55 Cb 1.19 0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 2k2j h PRO 55 CO 0.38 -0.32 -0.30 -0.51 -0.21 0.00 0.00 178.00 177.04 2k2j s LEU 56 N -9.38 2.81 0.00 2.35 1.02 -1.26 -5.12 118.68 109.10 2k2j s LEU 56 Ca -0.12 -1.17 0.00 0.00 0.02 0.00 0.00 54.13 52.86 2k2j s LEU 56 Cb 0.01 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.92 2k2j s LEU 56 CO 0.41 -1.07 0.00 0.61 0.02 0.00 0.00 176.35 176.32 2k2j n GLY 57 N -1.77 3.23 4.00 -3.19 0.00 -1.26 -5.11 105.19 101.09 2k2j n GLY 57 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 2k2j n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k2j s SER 58 N 0.00 5.71 -0.03 1.61 0.01 -1.26 -5.06 113.70 114.69 2k2j s SER 58 Ca 0.00 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 2k2j s SER 58 Cb 0.00 -0.79 -0.11 0.00 0.21 0.00 0.00 66.02 65.32 2k2j s SER 58 CO 0.00 -0.71 0.80 0.25 0.41 0.00 0.00 173.24 174.00 2k2j h LEU 59 N 0.67 -0.46 -8.22 2.44 7.12 -2.00 -3.40 115.31 111.46 2k2j h LEU 59 Ca -0.41 -0.06 -0.51 0.00 0.13 0.00 0.00 57.88 57.02 2k2j h LEU 59 Cb 1.28 0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 41.45 2k2j h LEU 59 CO 0.47 -0.02 1.23 0.00 -0.13 0.00 0.00 178.44 179.99 2k2j h ARG 61 N 10.65 0.00 -1.38 0.00 9.65 -1.41 -3.47 114.38 128.43 2k2j h ARG 61 Ca 0.03 0.00 0.15 0.00 -1.10 0.00 0.00 59.98 59.06 2k2j h ARG 61 Cb 1.03 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.37 2k2j h ARG 61 CO 1.33 0.33 0.71 0.20 2.80 0.00 0.00 179.97 185.35 2k2j s GLY 62 N -4.36 -0.13 -0.04 2.80 0.00 -0.96 -4.99 107.32 99.63 2k2j s GLY 62 Ca 0.03 2.31 -0.01 0.00 0.00 0.00 0.00 44.72 47.05 2k2j s GLY 62 CO 0.70 1.03 0.02 -0.42 0.00 0.00 0.00 173.10 174.43 2k2j s ILE 63 N -1.15 0.14 -0.49 0.90 1.01 -1.26 -1.26 121.20 119.09 2k2j s ILE 63 Ca 0.03 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 2k2j s ILE 63 Cb -0.01 -0.30 0.05 0.00 0.01 0.00 0.00 42.46 42.21 2k2j s ILE 63 CO -0.02 0.18 0.61 -0.76 0.00 0.00 0.00 174.94 174.95 2k2j s LEU 64 N 1.58 4.92 0.59 2.97 2.01 0.17 -4.91 118.68 126.02 2k2j s LEU 64 Ca -0.02 -0.84 0.29 0.00 0.01 0.00 0.00 54.13 53.57 2k2j s LEU 64 Cb -0.13 -2.47 1.54 0.00 0.01 0.00 0.00 46.19 45.14 2k2j s LEU 64 CO -0.03 -0.86 1.96 -2.24 1.01 0.00 0.00 176.35 176.19 2k2j h ASP 65 N 8.96 0.00 0.00 2.29 2.03 -1.88 -2.58 116.42 125.24 2k2j h ASP 65 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2k2j h ASP 65 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2k2j h ASP 65 CO 0.94 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 179.33 2k2j n LEU 66 N -3.69 0.88 -0.26 0.15 4.77 -1.26 -4.51 117.00 113.08 2k2j n LEU 66 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 2k2j n LEU 66 Cb 0.55 -1.80 0.42 0.00 -2.33 0.00 0.00 43.42 40.26 2k2j n LEU 66 CO 0.27 -0.66 0.70 0.59 -1.33 0.00 0.00 177.39 176.96 2k2j n ASN 67 N -0.45 1.03 -2.88 -1.43 3.02 -1.26 -4.40 115.26 108.88 2k2j n ASN 67 Ca 0.00 -0.93 -0.12 0.00 -0.03 0.00 0.00 54.58 53.49 2k2j n ASN 67 Cb 0.22 0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 2k2j n ASN 67 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k2j n THR 68 N -0.58 -0.12 -4.00 3.41 5.66 -1.26 -5.01 114.28 112.38 2k2j n THR 68 Ca 0.13 -2.41 -0.10 0.00 -3.05 0.00 0.00 64.05 58.63 2k2j n THR 68 Cb 0.34 0.73 -0.05 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.32 0.42 -0.02 1.09 2.02 -1.26 -0.47 117.35 118.81 2k2j s TYR 69 Ca 0.30 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2k2j s TYR 69 Cb 0.27 0.19 0.03 0.00 -0.40 0.00 0.00 41.96 42.05 2k2j s TYR 69 CO -0.12 -1.03 0.02 -0.80 -1.57 0.00 0.00 175.55 172.05 2k2j s ASN 70 N -3.04 0.23 -0.19 2.29 0.01 0.73 -4.81 114.94 110.15 2k2j s ASN 70 Ca 0.23 0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.25 2k2j s ASN 70 Cb -0.01 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 2k2j s ASN 70 CO 0.10 -0.11 0.31 -0.69 -1.51 0.00 0.00 177.10 175.19 2k2j s VAL 71 N 1.04 5.27 -0.08 1.60 1.01 -1.26 -0.36 120.40 127.63 2k2j s VAL 71 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2k2j s VAL 71 Cb -0.13 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2k2j s VAL 71 CO -0.02 0.32 -0.06 0.68 0.00 0.00 0.00 175.10 176.02 2k2j s VAL 72 N 0.94 0.79 -0.59 2.92 -7.23 -0.67 -4.96 120.40 111.60 2k2j s VAL 72 Ca 0.16 -0.20 -0.28 0.00 -1.81 0.00 0.00 61.98 59.85 2k2j s VAL 72 Cb -0.14 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.00 2k2j s VAL 72 CO 0.06 0.31 1.36 -0.75 -0.31 0.00 0.00 175.10 175.76 2k2j s LYS 73 N 1.38 3.32 -0.18 4.82 2.20 -1.26 -1.06 119.74 128.96 2k2j s LYS 73 Ca -0.02 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 2k2j s LYS 73 Cb -0.13 -4.11 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2k2j s LYS 73 CO -0.03 -1.93 1.16 0.00 -0.36 0.00 0.00 175.35 174.19 2k2j s ALA 74 N 5.83 3.64 -0.07 3.13 0.00 0.41 -4.96 121.76 129.75 2k2j s ALA 74 Ca 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2k2j s ALA 74 Cb -0.10 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 2k2j s ALA 74 CO 0.24 -1.06 -0.02 -1.00 0.00 0.00 0.00 175.76 173.91 2k2j h PRO 75 N 7.80 0.00 0.00 0.00 0.14 -1.81 -2.95 132.00 135.18 2k2j h PRO 75 Ca -0.25 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.89 2k2j h PRO 75 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.23 2k2j h PRO 75 CO 0.96 0.00 0.13 1.96 0.14 0.00 0.00 178.00 181.19 2k2j h GLN 76 N -0.60 0.00 0.00 0.86 4.20 -1.93 -3.42 115.11 114.22 2k2j h GLN 76 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k2j h GLN 76 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2k2j h GLN 76 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2k2j n GLY 77 N -1.20 -1.67 1.95 3.46 0.00 -1.24 -4.73 105.19 101.76 2k2j n GLY 77 Ca -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2k2j n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k2j n LYS 78 N 0.00 0.00 -3.56 1.61 3.00 -1.26 -4.97 118.16 112.99 2k2j n LYS 78 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2k2j n LYS 78 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 35.03 34.85 2k2j n LYS 78 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2k2j s ASN 79 N -4.94 3.09 -1.23 3.14 0.01 -1.26 -4.85 114.94 108.90 2k2j s ASN 79 Ca 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 2k2j s ASN 79 Cb 0.00 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.38 2k2j s ASN 79 CO 0.00 -0.41 0.00 0.00 -1.51 0.00 0.00 177.10 175.18 2k2j n GLN 80 N 5.26 -1.61 -4.42 -0.60 6.02 -1.26 -4.93 117.38 115.84 2k2j n GLN 80 Ca -0.06 0.83 -0.25 0.00 -0.01 0.00 0.00 57.00 57.51 2k2j n GLN 80 Cb 0.44 -5.12 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 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 -2.87 1.73 -0.15 -1.09 -0.14 -1.26 -5.06 119.74 110.90 2k2j s LYS 81 Ca 0.00 -1.62 -0.07 0.00 -1.36 0.00 0.00 55.97 52.92 2k2j s LYS 81 Cb 0.00 -1.87 -0.07 0.00 -1.68 0.00 0.00 37.83 34.21 2k2j s LYS 81 CO 0.00 0.36 -0.19 0.43 -0.76 0.00 0.00 175.35 175.19 2k2j n SER 82 N -0.33 1.17 -4.37 2.83 7.64 -1.26 -3.98 113.62 115.32 2k2j n SER 82 Ca -0.08 0.17 -0.44 0.00 1.01 0.00 0.00 58.87 59.53 2k2j n SER 82 Cb 0.58 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.28 3.25 0.04 1.43 0.08 -1.26 -3.71 117.98 115.53 2k2j s PHE 83 Ca -0.21 -1.02 0.02 0.00 0.12 0.00 0.00 56.93 55.84 2k2j s PHE 83 Cb 0.08 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 2k2j s PHE 83 CO 0.27 -0.84 -0.07 0.08 -0.10 0.00 0.00 175.22 174.56 2k2j s VAL 84 N 1.62 0.49 0.13 -0.44 1.01 -1.11 -3.91 120.40 118.19 2k2j s VAL 84 Ca 0.04 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2k2j s VAL 84 Cb -0.25 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2k2j s VAL 84 CO 0.06 -0.38 -0.20 -0.36 0.00 0.00 0.00 175.10 174.22 2k2j s PHE 85 N -1.36 1.81 -0.03 5.22 0.40 -0.92 0.16 117.98 123.25 2k2j s PHE 85 Ca -0.10 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 2k2j s PHE 85 Cb -0.10 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.48 2k2j s PHE 85 CO 0.00 0.26 -0.10 0.42 0.70 0.00 0.00 175.22 176.50 2k2j s ILE 86 N -1.54 0.91 -0.20 0.64 1.01 -0.23 -1.08 121.20 120.71 2k2j s ILE 86 Ca 0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 2k2j s ILE 86 Cb -0.08 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2k2j s ILE 86 CO 0.05 0.28 0.30 -0.76 0.00 0.00 0.00 174.94 174.81 2k2j s LEU 87 N 0.28 4.17 -0.30 2.97 1.43 -0.24 -1.67 118.68 125.33 2k2j s LEU 87 Ca -0.05 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2k2j s LEU 87 Cb -0.10 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.81 2k2j s LEU 87 CO 0.01 0.02 -0.00 -1.61 0.23 0.00 0.00 176.35 175.00 2k2j s GLU 88 N 0.96 2.44 0.46 1.70 2.02 0.51 -2.44 118.70 124.35 2k2j s GLU 88 Ca 0.15 -1.26 -0.24 0.00 0.02 0.00 0.00 54.97 53.64 2k2j s GLU 88 Cb -0.14 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.84 2k2j s GLU 88 CO 0.05 -0.61 1.33 -0.35 0.02 0.00 0.00 175.26 175.70 2k2j n PRO 89 N 4.62 1.95 -0.14 0.39 -0.04 -1.26 -0.19 135.00 140.33 2k2j n PRO 89 Ca -0.13 0.70 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 2k2j n PRO 89 Cb 0.43 -2.49 0.15 0.00 -0.04 0.00 0.00 33.50 31.55 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 -0.27 2.08 0.00 0.54 5.02 0.38 -4.76 118.16 121.16 2k2j n LYS 90 Ca 0.07 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 2k2j n LYS 90 Cb 0.41 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.86 0.00 0.00 1.97 7.27 -1.26 -5.00 117.38 121.23 2k2j n GLN 91 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2k2j n GLN 91 Cb 0.44 -0.41 0.00 0.00 2.41 0.00 0.00 30.24 32.68 2k2j n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k2j n GLN 92 N -0.30 0.38 -0.18 3.69 10.64 -1.26 -4.98 117.38 125.37 2k2j n GLN 92 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2k2j n GLN 92 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 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 0.67 2.02 3.72 2.61 0.00 -1.26 -4.91 105.19 108.04 2k2j n GLY 93 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 1.39 4.01 0.39 1.61 1.11 -1.26 -5.00 116.67 118.92 2k2j s ASP 94 Ca 0.00 2.25 -0.18 0.00 0.18 0.00 0.00 52.55 54.80 2k2j s ASP 94 Cb 0.00 -2.58 -0.10 0.00 1.07 0.00 0.00 42.92 41.32 2k2j s ASP 94 CO 0.00 -2.38 0.86 -2.16 1.18 0.00 0.00 175.17 172.67 2k2j s PRO 95 N -4.17 4.11 0.67 8.23 0.04 -1.26 -4.76 135.00 137.86 2k2j s PRO 95 Ca 0.71 0.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 2k2j s PRO 95 Cb -0.26 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.04 2k2j s PRO 95 CO 0.49 0.03 0.98 -1.25 0.04 0.00 0.00 177.00 177.29 2k2j s PRO 96 N -3.18 2.42 -0.04 0.56 0.04 -1.26 -4.65 135.00 128.89 2k2j s PRO 96 Ca 0.58 -0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2k2j s PRO 96 Cb -0.10 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.26 2k2j s PRO 96 CO 0.16 -1.08 -0.06 0.08 0.04 0.00 0.00 177.00 176.14 2k2j s VAL 97 N -3.18 0.63 -0.07 -0.36 1.01 -1.02 -4.97 120.40 112.45 2k2j s VAL 97 Ca 0.58 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2k2j s VAL 97 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2k2j s VAL 97 CO 0.45 0.23 0.13 -1.61 0.00 0.00 0.00 175.10 174.30 2k2j s GLU 98 N 0.65 3.34 0.15 2.72 8.01 -1.26 -1.08 118.70 131.23 2k2j s GLU 98 Ca -0.09 -0.26 0.05 0.00 0.01 0.00 0.00 54.97 54.67 2k2j s GLU 98 Cb -0.13 -3.08 -0.04 0.00 -4.31 0.00 0.00 34.13 26.58 2k2j s GLU 98 CO 0.01 0.72 -0.11 -0.06 0.01 0.00 0.00 175.26 175.83 2k2j s PHE 99 N -1.12 1.35 0.16 1.61 0.40 -0.24 -1.89 117.98 118.24 2k2j s PHE 99 Ca 0.20 -0.69 -0.19 0.00 -0.60 0.00 0.00 56.93 55.64 2k2j s PHE 99 Cb -0.12 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.78 2k2j s PHE 99 CO 0.10 0.13 0.52 0.00 0.70 0.00 0.00 175.22 176.67 2k2j s ALA 100 N -3.06 -1.19 0.20 5.36 0.00 -0.73 -2.16 121.76 120.17 2k2j s ALA 100 Ca 0.16 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2k2j s ALA 100 Cb 0.01 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2k2j s ALA 100 CO 0.02 -0.74 0.09 0.25 0.00 0.00 0.00 175.76 175.38 2k2j n THR 101 N -0.32 0.00 -0.02 0.00 -2.24 -1.25 -3.16 114.28 107.29 2k2j n THR 101 Ca -0.14 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 2k2j n THR 101 Cb 0.64 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.90 0.66 -3.93 3.42 9.92 -1.26 -4.91 116.55 118.54 2k2j n ASP 102 Ca -0.01 -0.83 -0.09 0.00 -0.53 0.00 0.00 54.79 53.32 2k2j n ASP 102 Cb 0.32 0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 41.04 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 -0.32 0.99 0.36 -1.24 0.52 -1.26 -5.04 118.95 112.96 2k2j s ARG 103 Ca 0.00 -1.10 0.19 0.00 -0.52 0.00 0.00 55.73 54.30 2k2j s ARG 103 Cb 0.00 0.35 0.59 0.00 0.52 0.00 0.00 34.95 36.41 2k2j s ARG 103 CO 0.00 -0.33 1.69 -0.39 0.02 0.00 0.00 175.30 176.28 2k2j h VAL 104 N 2.67 0.83 0.14 3.52 -1.51 -1.99 -2.82 116.25 117.10 2k2j h VAL 104 Ca -0.33 -1.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.52 2k2j h VAL 104 Cb 1.21 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2k2j h VAL 104 CO 0.53 0.37 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.84 2k2j h GLU 105 N 0.00 -0.19 -0.25 5.19 4.39 -1.99 -2.13 114.58 119.61 2k2j h GLU 105 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k2j h GLU 105 Cb 0.98 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2k2j h GLU 105 CO 0.05 0.26 0.17 0.93 -1.16 0.00 0.00 179.01 179.25 2k2j h GLU 106 N -0.76 0.33 0.47 2.33 5.08 -1.98 0.94 114.58 120.99 2k2j h GLU 106 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2k2j h GLU 106 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k2j h GLU 106 CO 0.03 0.22 -0.23 1.25 -1.00 0.00 0.00 179.01 179.29 2k2j h LEU 107 N 0.34 -0.53 -1.48 1.33 5.85 -1.49 -1.04 115.31 118.29 2k2j h LEU 107 Ca 0.09 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2k2j h LEU 107 Cb -0.04 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2k2j h LEU 107 CO -0.02 -0.19 -0.26 0.15 -0.34 0.00 0.00 178.44 177.77 2k2j h PHE 108 N -0.91 0.00 0.26 1.25 3.57 -1.10 -0.93 116.94 119.08 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2k2j h PHE 108 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2k2j h PHE 108 CO 0.01 0.26 -0.12 1.49 -2.23 0.00 0.00 178.31 177.72 2k2j h GLU 109 N 0.00 -0.33 -0.04 1.11 4.57 -0.77 -2.59 114.58 116.53 2k2j h GLU 109 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.49 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2k2j h GLU 109 CO 0.03 -0.09 -0.03 -1.49 -1.18 0.00 0.00 179.01 176.26 2k2j h TRP 110 N -1.03 0.11 -0.05 0.92 4.06 -1.22 -2.82 115.95 115.92 2k2j h TRP 110 Ca -0.04 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.79 2k2j h TRP 110 Cb 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2k2j h TRP 110 CO 0.03 0.50 -0.41 0.74 -3.56 0.00 0.00 178.44 175.75 2k2j h PHE 111 N -0.31 0.12 -0.20 0.49 0.04 -1.34 -1.23 116.94 114.51 2k2j h PHE 111 Ca 0.01 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 2k2j h PHE 111 Cb 0.48 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2k2j h PHE 111 CO 0.08 0.50 -0.45 0.37 -0.60 0.00 0.00 178.31 178.21 2k2j h GLN 112 N 0.09 0.50 -0.09 1.51 -0.00 -1.50 -2.06 115.11 113.56 2k2j h GLN 112 Ca 0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 2k2j h GLN 112 Cb 0.77 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.26 2k2j h GLN 112 CO 0.06 0.85 -0.05 0.77 0.00 0.00 0.00 178.83 180.46 2k2j h SER 113 N 0.40 0.20 -0.70 -0.69 0.02 -1.20 0.15 113.55 111.73 2k2j h SER 113 Ca 0.03 -0.43 0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2k2j h SER 113 Cb 0.95 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 2k2j h SER 113 CO 0.08 0.59 0.46 0.40 -1.14 0.00 0.00 176.83 177.22 2k2j h ILE 114 N -0.19 0.89 0.00 3.27 2.04 -1.19 0.19 117.51 122.53 2k2j h ILE 114 Ca 0.02 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 2k2j h ILE 114 Cb 0.52 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2k2j h ILE 114 CO 0.01 0.10 -0.67 0.03 0.00 0.00 0.00 178.15 177.62 2k2j h ARG 115 N 0.53 0.00 -0.05 2.37 3.08 -1.14 -3.19 114.38 115.97 2k2j h ARG 115 Ca 0.33 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.39 2k2j h ARG 115 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2k2j h ARG 115 CO -0.11 0.67 0.12 0.93 -1.07 0.00 0.00 179.97 180.51 2k2j h GLU 116 N 0.00 0.00 0.04 0.04 5.08 0.23 0.55 114.58 120.53 2k2j h GLU 116 Ca -0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 2k2j h GLU 116 Cb 1.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2k2j h GLU 116 CO 0.09 0.00 -2.29 -0.89 -1.00 0.00 0.00 179.01 174.92 2k2j n ILE 117 N -3.37 1.59 -0.05 3.13 -0.00 -1.18 -4.10 119.36 115.38 2k2j n ILE 117 Ca -0.01 -0.57 -0.04 0.00 -0.00 0.00 0.00 62.75 62.13 2k2j n ILE 117 Cb 0.20 -1.57 -0.01 0.00 -0.00 0.00 0.00 39.64 38.26 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 -3.43 0.85 0.17 1.39 -2.24 -0.96 -4.40 114.28 105.66 2k2j n THR 118 Ca -0.41 0.32 0.18 0.00 -2.27 0.00 0.00 64.05 61.86 2k2j n THR 118 Cb 0.99 -2.01 0.80 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.58 0.00 -3.49 4.78 2.91 -0.31 -3.36 115.95 115.89 2k2j h TRP 119 Ca 0.00 0.00 -0.67 0.00 1.13 0.00 0.00 58.89 59.35 2k2j h TRP 119 Cb 0.42 0.00 -0.34 0.00 -0.51 0.00 0.00 29.16 28.73 2k2j h TRP 119 CO -0.18 0.00 -0.78 0.21 -1.03 0.00 0.00 178.44 176.66 2k2j s LYS 120 N -4.66 2.73 -0.23 2.65 2.47 0.47 -4.98 119.74 118.19 2k2j s LYS 120 Ca -0.05 -1.03 -0.02 0.00 -1.56 0.00 0.00 55.97 53.31 2k2j s LYS 120 Cb 0.16 -2.87 0.07 0.00 -1.46 0.00 0.00 37.83 33.72 2k2j s LYS 120 CO 0.56 -0.40 0.04 0.42 0.16 0.00 0.00 175.35 176.13 2k2j s ILE 121 N 1.27 0.69 0.56 5.43 1.01 -1.26 -4.16 121.20 124.73 2k2j s ILE 121 Ca -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2k2j s ILE 121 Cb -0.17 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 2k2j s ILE 121 CO -0.06 -0.32 0.89 -1.81 0.00 0.00 0.00 174.94 173.63 2k2j s ASP 122 N 1.76 5.96 0.41 3.58 1.11 -1.26 -5.10 116.67 123.14 2k2j s ASP 122 Ca 0.01 0.94 0.07 0.00 0.18 0.00 0.00 52.55 53.75 2k2j s ASP 122 Cb -0.17 -2.07 0.01 0.00 1.07 0.00 0.00 42.92 41.76 2k2j s ASP 122 CO -0.13 -0.85 0.57 0.42 1.18 0.00 0.00 175.17 176.36 2k2j s THR 123 N -2.94 3.29 -1.96 -1.27 -4.23 -1.26 -5.28 115.64 101.99 2k2j s THR 123 Ca 0.52 -0.94 0.16 0.00 -1.18 0.00 0.00 61.69 60.24 2k2j s THR 123 Cb -0.11 -3.13 0.12 0.00 1.34 0.00 0.00 72.50 70.73 2k2j s THR 123 CO 0.47 -0.05 1.00 0.29 -0.54 0.00 0.00 174.62 175.78