#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 0.25 0.00 1.97 0.00 -1.26 -4.70 118.16 114.42 2k2j n LYS 9 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 2k2j n LYS 9 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k2j n ASP 10 N -0.22 4.32 0.04 -5.58 9.92 -1.26 -4.72 116.55 119.05 2k2j n ASP 10 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2k2j n ASP 10 Cb 0.66 0.54 -0.08 0.00 -0.64 0.00 0.00 41.12 41.61 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k2j h GLU 11 N 0.00 0.00 -5.02 -1.24 4.39 -2.06 -3.50 114.58 107.16 2k2j h GLU 11 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k2j h GLU 11 Cb 0.64 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.16 2k2j h GLU 11 CO 0.00 0.30 -1.61 0.72 -1.16 0.00 0.00 179.01 177.27 2k2j n HIS 12 N -2.91 -4.52 -3.45 4.33 8.25 -1.26 -5.04 115.22 110.61 2k2j n HIS 12 Ca -0.09 2.62 -0.17 0.00 -0.26 0.00 0.00 57.72 59.82 2k2j n HIS 12 Cb 0.83 -3.94 -0.12 0.00 1.12 0.00 0.00 29.99 27.89 2k2j n HIS 12 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2k2j s LYS 13 N -0.69 0.24 -0.29 -0.41 2.20 -1.26 -4.92 119.74 114.61 2k2j s LYS 13 Ca -0.29 0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.38 2k2j s LYS 13 Cb 0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 2k2j s LYS 13 CO 0.80 -0.72 0.24 -1.14 -0.36 0.00 0.00 175.35 174.17 2k2j s GLN 14 N 2.36 3.88 0.01 4.03 2.00 -1.26 -5.01 119.66 125.67 2k2j s GLN 14 Ca 0.08 -0.30 0.02 0.00 -2.00 0.00 0.00 55.36 53.16 2k2j s GLN 14 Cb -0.15 -3.69 -0.01 0.00 0.80 0.00 0.00 33.01 29.96 2k2j s GLN 14 CO -0.17 -0.26 -0.07 -1.14 -0.50 0.00 0.00 175.29 173.16 2k2j s GLN 15 N 1.83 0.54 0.00 1.67 0.74 -1.26 -1.99 119.66 121.19 2k2j s GLN 15 Ca 0.09 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.13 2k2j s GLN 15 Cb -0.16 -0.48 0.00 0.00 1.10 0.00 0.00 33.01 33.47 2k2j s GLN 15 CO 0.11 0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 2k2j n GLY 16 N 2.55 -0.75 3.48 2.59 0.00 -0.59 -5.00 105.19 107.48 2k2j n GLY 16 Ca -0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.52 1.70 0.29 1.61 8.01 -1.26 -0.66 118.70 127.85 2k2j s GLU 17 Ca 0.00 -1.79 -0.19 0.00 0.01 0.00 0.00 54.97 52.99 2k2j s GLU 17 Cb 0.00 -1.75 0.06 0.00 -4.31 0.00 0.00 34.13 28.13 2k2j s GLU 17 CO 0.00 0.30 0.86 -0.51 0.01 0.00 0.00 175.26 175.92 2k2j s LEU 18 N -3.52 -0.07 0.04 1.80 1.43 -0.77 -4.78 118.68 112.81 2k2j s LEU 18 Ca 0.30 -0.83 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2k2j s LEU 18 Cb -0.04 2.55 -0.02 0.00 0.03 0.00 0.00 46.19 48.71 2k2j s LEU 18 CO 0.15 -1.35 -0.17 -0.31 0.23 0.00 0.00 176.35 174.90 2k2j s TYR 19 N -2.70 1.44 -0.02 0.29 1.51 -1.16 -1.58 117.35 115.13 2k2j s TYR 19 Ca 0.16 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2k2j s TYR 19 Cb -0.04 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 2k2j s TYR 19 CO 0.08 0.06 -0.02 -1.64 -1.11 0.00 0.00 175.55 172.92 2k2j s MET 20 N -1.17 0.38 0.04 -0.62 -1.94 -1.25 -2.02 119.30 112.72 2k2j s MET 20 Ca 0.04 -0.04 -0.30 0.00 -1.71 0.00 0.00 55.69 53.68 2k2j s MET 20 Cb -0.08 -0.45 -0.09 0.00 2.01 0.00 0.00 34.83 36.22 2k2j s MET 20 CO 0.02 -0.03 1.97 -0.46 -0.01 0.00 0.00 175.02 176.50 2k2j s TRP 21 N 0.53 1.31 -0.39 -0.03 -0.00 -0.99 -4.28 118.94 115.08 2k2j s TRP 21 Ca -0.05 -0.46 -0.07 0.00 -0.00 0.00 0.00 56.10 55.51 2k2j s TRP 21 Cb -0.09 -4.25 0.07 0.00 -0.00 0.00 0.00 33.47 29.20 2k2j s TRP 21 CO -0.01 -5.59 0.20 -0.51 -0.00 0.00 0.00 176.95 171.04 2k2j s ASP 22 N 4.36 5.48 0.00 5.86 1.01 -1.03 -4.77 116.67 127.59 2k2j s ASP 22 Ca 0.88 -1.46 0.30 0.00 0.71 0.00 0.00 52.55 52.98 2k2j s ASP 22 Cb -0.43 -1.93 1.75 0.00 1.01 0.00 0.00 42.92 43.32 2k2j s ASP 22 CO 0.42 -0.47 2.11 -1.54 0.21 0.00 0.00 175.17 175.89 2k2j n SER 23 N 4.84 0.00 0.08 0.27 3.41 -1.26 0.45 113.62 121.41 2k2j n SER 23 Ca -0.10 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.54 2k2j n SER 23 Cb 0.43 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.45 0.00 -1.33 2.04 -1.96 -3.35 117.51 114.37 2k2j h ILE 24 Ca 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2k2j h ILE 24 Cb 0.03 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2k2j h ILE 24 CO 0.00 0.79 0.00 0.47 0.00 0.00 0.00 178.15 179.41 2k2j n ASP 25 N -3.66 0.61 -3.39 1.72 9.92 -1.19 -5.05 116.55 115.51 2k2j n ASP 25 Ca -0.06 -1.01 -0.11 0.00 -0.53 0.00 0.00 54.79 53.08 2k2j n ASP 25 Cb 0.88 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.36 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 -0.00 -1.42 -3.83 -1.24 1.13 0.17 -5.00 117.38 107.18 2k2j n GLN 26 Ca 0.00 1.16 -0.05 0.00 -1.94 0.00 0.00 57.00 56.17 2k2j n GLN 26 Cb 0.10 -4.19 0.01 0.00 0.11 0.00 0.00 30.24 26.27 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 -3.88 1.66 -0.30 -1.09 -2.85 -1.02 -5.01 119.74 107.24 2k2j s LYS 27 Ca 0.00 -1.03 -0.03 0.00 -1.00 0.00 0.00 55.97 53.90 2k2j s LYS 27 Cb -0.00 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 2k2j s LYS 27 CO 0.82 -0.77 0.03 -1.58 0.10 0.00 0.00 175.35 173.94 2k2j s TRP 28 N -2.59 3.23 0.22 1.78 0.52 -1.26 -2.46 118.94 118.38 2k2j s TRP 28 Ca 0.17 -1.64 0.05 0.00 0.02 0.00 0.00 56.10 54.70 2k2j s TRP 28 Cb -0.04 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2k2j s TRP 28 CO 0.07 -0.76 0.28 0.95 0.02 0.00 0.00 176.95 177.52 2k2j s THR 29 N 1.32 4.98 -0.26 2.01 -4.23 -1.26 -5.01 115.64 113.20 2k2j s THR 29 Ca -0.03 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 2k2j s THR 29 Cb -0.19 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2k2j s THR 29 CO -0.00 -0.28 0.27 -0.60 -0.54 0.00 0.00 174.62 173.48 2k2j s ARG 30 N -3.74 4.03 0.28 3.99 3.52 -1.26 -3.96 118.95 121.82 2k2j s ARG 30 Ca 0.33 -0.12 0.12 0.00 -0.13 0.00 0.00 55.73 55.93 2k2j s ARG 30 Cb -0.09 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 2k2j s ARG 30 CO 0.27 -0.14 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.44 2k2j s HIS 31 N 1.64 2.33 -0.69 5.12 3.76 -0.61 -3.22 115.29 123.62 2k2j s HIS 31 Ca 0.11 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.54 2k2j s HIS 31 Cb -0.15 -1.02 0.16 0.00 1.11 0.00 0.00 32.58 32.68 2k2j s HIS 31 CO 0.09 0.71 0.68 -0.47 -0.85 0.00 0.00 174.74 174.90 2k2j s TYR 32 N -2.49 3.40 0.51 1.40 5.04 -1.26 -1.85 117.35 122.09 2k2j s TYR 32 Ca 0.30 -1.51 -0.08 0.00 -2.44 0.00 0.00 57.07 53.34 2k2j s TYR 32 Cb -0.05 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.34 2k2j s TYR 32 CO 0.16 -1.09 0.86 0.00 -1.34 0.00 0.00 175.55 174.14 2k2j s ALA 34 N -2.80 -2.49 -0.31 0.00 0.00 -0.87 -1.54 121.76 113.75 2k2j s ALA 34 Ca 0.51 2.14 -0.22 0.00 0.00 0.00 0.00 51.96 54.39 2k2j s ALA 34 Cb -0.10 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 2k2j s ALA 34 CO 0.45 -0.84 0.72 0.42 0.00 0.00 0.00 175.76 176.50 2k2j s ILE 35 N 2.35 4.86 -0.24 0.00 1.01 -0.84 -1.06 121.20 127.27 2k2j s ILE 35 Ca -0.04 1.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.58 2k2j s ILE 35 Cb -0.07 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2k2j s ILE 35 CO -0.17 -0.20 0.02 0.00 0.00 0.00 0.00 174.94 174.58 2k2j s ALA 36 N 2.80 3.00 0.00 9.38 0.00 0.11 -4.52 121.76 132.54 2k2j s ALA 36 Ca 0.29 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2k2j s ALA 36 Cb -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2k2j s ALA 36 CO 0.12 -0.49 0.00 -3.47 0.00 0.00 0.00 175.76 171.92 2k2j n ASP 37 N 4.86 0.00 0.00 0.00 2.03 -1.26 -1.47 116.55 120.71 2k2j n ASP 37 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k2j n ASP 37 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2j n ALA 38 N 1.44 0.25 -2.00 -1.67 0.00 -1.26 -5.09 120.51 112.19 2k2j n ALA 38 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2k2j n ALA 38 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.23 2.29 -0.16 0.00 1.02 -0.54 -4.35 119.74 117.77 2k2j s LYS 39 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2k2j s LYS 39 Cb 0.00 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2k2j s LYS 39 CO 0.00 -0.88 -0.10 -1.17 -0.92 0.00 0.00 175.35 172.28 2k2j s LEU 40 N -4.79 1.68 -0.27 3.17 2.96 -1.00 -0.71 118.68 119.71 2k2j s LEU 40 Ca 0.60 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 2k2j s LEU 40 Cb -0.08 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 2k2j s LEU 40 CO 0.39 -0.12 0.18 -0.55 -1.32 0.00 0.00 176.35 174.93 2k2j s SER 41 N 1.56 5.99 -0.16 3.68 0.15 -0.22 -0.16 113.70 124.54 2k2j s SER 41 Ca 0.03 -0.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 2k2j s SER 41 Cb -0.14 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2k2j s SER 41 CO -0.09 -0.03 0.14 0.72 1.20 0.00 0.00 173.24 175.18 2k2j s PHE 42 N 1.66 3.51 0.61 3.44 -0.12 -0.86 -2.05 117.98 124.16 2k2j s PHE 42 Ca 0.07 0.44 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 2k2j s PHE 42 Cb -0.16 -2.06 0.09 0.00 -0.63 0.00 0.00 43.02 40.27 2k2j s PHE 42 CO 0.10 0.51 0.84 0.45 -0.05 0.00 0.00 175.22 177.07 2k2j s SER 43 N -0.34 4.90 0.79 1.98 0.15 -0.72 -1.01 113.70 119.46 2k2j s SER 43 Ca 0.12 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 56.08 2k2j s SER 43 Cb -0.12 -0.00 0.06 0.00 -1.71 0.00 0.00 66.02 64.26 2k2j s SER 43 CO 0.01 -1.45 1.11 1.51 1.20 0.00 0.00 173.24 175.62 2k2j s ASP 44 N -4.64 4.65 0.43 5.45 -4.77 -1.22 -4.02 116.67 112.55 2k2j s ASP 44 Ca 0.62 1.16 -0.22 0.00 -3.30 0.00 0.00 52.55 50.81 2k2j s ASP 44 Cb -0.06 -1.88 -0.12 0.00 -1.09 0.00 0.00 42.92 39.77 2k2j s ASP 44 CO 0.40 -1.85 0.64 0.47 0.70 0.00 0.00 175.17 175.53 2k2j n ASP 45 N -3.34 -0.48 -0.53 2.11 9.92 -1.26 -4.19 116.55 118.78 2k2j n ASP 45 Ca 0.07 0.92 0.05 0.00 -0.53 0.00 0.00 54.79 55.30 2k2j n ASP 45 Cb 0.57 -1.16 0.12 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.86 0.90 0.00 0.53 -5.35 -1.20 -4.62 119.36 108.76 2k2j n ILE 46 Ca 0.11 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 2k2j n ILE 46 Cb 0.40 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.39 0.00 -1.18 6.28 0.28 -1.26 -4.94 120.64 120.21 2k2j n GLU 47 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.86 2k2j n GLU 47 Cb 0.39 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.43 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 -0.60 2.21 -1.68 3.44 7.27 -1.26 -4.99 117.38 121.77 2k2j n GLN 48 Ca 0.00 -2.89 -0.46 0.00 0.07 0.00 0.00 57.00 53.72 2k2j n GLN 48 Cb 0.00 -2.13 -0.04 0.00 2.41 0.00 0.00 30.24 30.48 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k2j n THR 49 N -1.08 0.23 -0.00 1.69 -2.24 -1.26 -4.92 114.28 106.69 2k2j n THR 49 Ca 0.58 -0.04 -0.00 0.00 -2.27 0.00 0.00 64.05 62.31 2k2j n THR 49 Cb 1.61 -1.73 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 4.70 0.03 -2.76 -0.78 2.81 -1.26 -5.08 117.12 114.78 2k2j n MET 50 Ca 0.19 0.23 -0.02 0.00 -1.81 0.00 0.00 57.70 56.28 2k2j n MET 50 Cb 0.30 -0.77 -0.02 0.00 -0.71 0.00 0.00 33.22 32.02 2k2j n MET 50 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2k2j n GLU 51 N -2.44 -3.40 0.00 0.03 1.02 -1.26 -4.94 120.64 109.65 2k2j n GLU 51 Ca -0.01 2.70 0.00 0.00 -0.02 0.00 0.00 57.16 59.84 2k2j n GLU 51 Cb 0.02 -4.28 0.00 0.00 -0.02 0.00 0.00 31.44 27.16 2k2j n GLU 51 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k2j n GLU 52 N 1.42 0.00 -0.65 3.49 4.71 -1.26 -3.91 120.64 124.44 2k2j n GLU 52 Ca -0.18 0.44 0.07 0.00 -0.01 0.00 0.00 57.16 57.48 2k2j n GLU 52 Cb 0.33 -1.26 0.34 0.00 -1.01 0.00 0.00 31.44 29.84 2k2j n GLU 52 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2k2j n ASP 53 N -1.81 4.65 -3.18 1.62 9.92 -1.26 -4.95 116.55 121.54 2k2j n ASP 53 Ca 0.00 -2.56 -0.07 0.00 -0.53 0.00 0.00 54.79 51.63 2k2j n ASP 53 Cb 0.00 -0.59 0.02 0.00 -0.64 0.00 0.00 41.12 39.91 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k2j n ASN 54 N 0.82 -7.23 -3.01 -2.24 5.03 -1.25 -5.02 115.26 102.36 2k2j n ASN 54 Ca 0.24 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2k2j n ASN 54 Cb 0.92 -5.00 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2k2j n PRO 55 N -2.31 0.08 -2.49 3.52 -0.02 -1.26 -4.92 135.00 127.59 2k2j n PRO 55 Ca -0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.01 2k2j n PRO 55 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.01 2k2j n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k2j s LEU 56 N 0.00 3.72 -1.12 2.45 2.96 -1.26 -4.95 118.68 120.48 2k2j s LEU 56 Ca 0.00 0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 54.53 2k2j s LEU 56 Cb 0.00 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.21 2k2j s LEU 56 CO 0.00 -1.21 1.55 -0.83 -1.32 0.00 0.00 176.35 174.54 2k2j s GLY 57 N 2.84 1.42 0.14 7.98 0.00 -1.26 -4.97 107.32 113.46 2k2j s GLY 57 Ca 0.53 -2.51 0.02 0.00 0.00 0.00 0.00 44.72 42.76 2k2j s GLY 57 CO 0.28 2.69 0.29 -0.45 0.00 0.00 0.00 173.10 175.90 2k2j s SER 58 N 4.67 6.35 0.00 1.64 0.15 -1.26 -5.07 113.70 120.18 2k2j s SER 58 Ca 0.49 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2k2j s SER 58 Cb 0.01 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2k2j s SER 58 CO -0.04 0.05 0.52 -0.11 1.20 0.00 0.00 173.24 174.87 2k2j n LEU 59 N -0.45 0.44 -4.55 3.45 7.94 -1.26 -4.38 117.00 118.19 2k2j n LEU 59 Ca -0.06 0.55 -0.33 0.00 -1.11 0.00 0.00 56.01 55.06 2k2j n LEU 59 Cb 0.54 -0.16 -0.04 0.00 0.53 0.00 0.00 43.42 44.29 2k2j n LEU 59 CO 0.49 -0.16 1.82 0.00 -1.11 0.00 0.00 177.39 178.44 2k2j n ARG 61 N 9.00 1.06 0.00 0.00 5.12 -0.18 -4.96 116.66 126.70 2k2j n ARG 61 Ca 0.36 -0.37 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2k2j n ARG 61 Cb 0.53 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 2k2j n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k2j n GLY 62 N 1.17 2.51 3.03 -0.13 0.00 -1.19 -4.98 105.19 105.60 2k2j n GLY 62 Ca 0.19 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 0.86 -0.48 -0.61 1.01 -1.26 -2.02 121.20 116.70 2k2j s ILE 63 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2k2j s ILE 63 Cb 0.00 -0.74 0.12 0.00 0.01 0.00 0.00 42.46 41.84 2k2j s ILE 63 CO 0.00 0.26 0.37 -0.22 0.00 0.00 0.00 174.94 175.34 2k2j s LEU 64 N 0.00 5.73 -1.12 2.97 2.96 0.78 -4.94 118.68 125.06 2k2j s LEU 64 Ca -0.00 -1.83 -0.25 0.00 -0.22 0.00 0.00 54.13 51.83 2k2j s LEU 64 Cb -0.07 -2.05 -0.16 0.00 0.50 0.00 0.00 46.19 44.41 2k2j s LEU 64 CO 0.00 -0.71 2.04 -1.81 -1.32 0.00 0.00 176.35 174.55 2k2j s ASP 65 N 2.78 4.20 0.66 3.68 1.11 -1.26 -2.39 116.67 125.44 2k2j s ASP 65 Ca 0.05 -1.26 0.24 0.00 0.18 0.00 0.00 52.55 51.76 2k2j s ASP 65 Cb -0.26 -2.59 1.30 0.00 1.07 0.00 0.00 42.92 42.43 2k2j s ASP 65 CO 0.00 -3.94 1.73 -0.07 1.18 0.00 0.00 175.17 174.07 2k2j h LEU 66 N 20.18 0.00 -0.67 1.23 3.38 -1.93 0.20 115.31 137.69 2k2j h LEU 66 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2k2j h LEU 66 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2k2j h LEU 66 CO 1.11 0.00 -0.04 0.78 0.09 0.00 0.00 178.44 180.38 2k2j h ASN 67 N 0.00 0.97 -1.29 -0.43 2.35 -1.84 -3.09 115.58 112.25 2k2j h ASN 67 Ca 0.03 -0.28 -0.67 0.00 -0.55 0.00 0.00 56.30 54.82 2k2j h ASN 67 Cb 1.01 -0.26 -0.32 0.00 0.05 0.00 0.00 38.32 38.80 2k2j h ASN 67 CO -0.00 1.05 0.49 0.35 -1.65 0.00 0.00 177.43 177.67 2k2j n THR 68 N -4.17 3.32 -4.05 2.81 -2.24 0.69 -4.96 114.28 105.67 2k2j n THR 68 Ca 0.02 -3.73 -0.10 0.00 -2.27 0.00 0.00 64.05 57.98 2k2j n THR 68 Cb 0.36 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 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 -3.83 0.63 -0.02 4.78 2.02 -1.17 -0.80 117.35 118.95 2k2j s TYR 69 Ca 0.57 -0.95 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2k2j s TYR 69 Cb 0.46 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.88 2k2j s TYR 69 CO -0.13 -0.77 -0.08 -0.80 -1.57 0.00 0.00 175.55 172.19 2k2j s ASN 70 N -3.04 1.12 -0.14 2.29 0.01 0.72 -4.82 114.94 111.07 2k2j s ASN 70 Ca 0.25 -0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 52.10 2k2j s ASN 70 Cb 0.03 -0.28 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 2k2j s ASN 70 CO 0.06 0.06 0.28 -0.69 -1.51 0.00 0.00 177.10 175.30 2k2j s VAL 71 N 0.16 5.31 -0.06 1.60 1.01 -1.26 -0.14 120.40 127.02 2k2j s VAL 71 Ca -0.02 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 2k2j s VAL 71 Cb -0.08 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2k2j s VAL 71 CO 0.00 0.43 0.01 0.68 0.00 0.00 0.00 175.10 176.22 2k2j s VAL 72 N 0.19 0.29 -0.56 2.92 -7.23 -0.78 -4.97 120.40 110.25 2k2j s VAL 72 Ca 0.16 0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.22 2k2j s VAL 72 Cb -0.13 -0.46 0.01 0.00 0.56 0.00 0.00 36.38 36.37 2k2j s VAL 72 CO 0.04 0.24 1.45 -0.75 -0.31 0.00 0.00 175.10 175.77 2k2j s LYS 73 N 1.93 3.26 -0.22 4.82 2.20 -1.26 -1.40 119.74 129.07 2k2j s LYS 73 Ca 0.04 0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 55.84 2k2j s LYS 73 Cb -0.12 -4.14 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2k2j s LYS 73 CO -0.05 -1.98 1.02 0.00 -0.36 0.00 0.00 175.35 173.98 2k2j s ALA 74 N 6.23 3.67 -0.08 3.13 0.00 0.33 -4.94 121.76 130.10 2k2j s ALA 74 Ca 0.53 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 2k2j s ALA 74 Cb -0.11 -3.52 -0.29 0.00 0.00 0.00 0.00 23.12 19.20 2k2j s ALA 74 CO 0.25 -1.01 0.64 -1.00 0.00 0.00 0.00 175.76 174.65 2k2j h PRO 75 N 7.45 0.31 -1.02 0.00 0.13 -1.84 -2.95 132.00 134.07 2k2j h PRO 75 Ca -0.20 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2k2j h PRO 75 Cb 1.07 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k2j h PRO 75 CO 0.96 1.25 0.00 0.94 -0.23 0.00 0.00 178.00 180.92 2k2j n GLN 76 N -3.85 0.88 0.00 0.86 7.27 -1.26 -4.72 117.38 116.56 2k2j n GLN 76 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.84 2k2j n GLN 76 Cb 0.95 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 32.38 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 0.35 0.99 1.66 1.69 0.00 -1.24 -4.85 105.19 103.78 2k2j n GLY 77 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.30 1.61 3.00 -1.26 -4.82 118.16 113.39 2k2j n LYS 78 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2k2j n LYS 78 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 35.03 34.94 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 -3.05 0.29 -0.49 3.14 0.01 -1.26 -4.88 114.94 108.70 2k2j s ASN 79 Ca 0.00 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 2k2j s ASN 79 Cb 0.00 1.14 0.00 0.00 0.41 0.00 0.00 41.25 42.80 2k2j s ASN 79 CO 0.00 -0.34 0.00 0.00 -1.51 0.00 0.00 177.10 175.25 2k2j n GLN 80 N 5.26 -1.87 -3.99 -0.60 1.13 -1.26 -4.93 117.38 111.11 2k2j n GLN 80 Ca 0.02 0.65 -0.23 0.00 -1.94 0.00 0.00 57.00 55.50 2k2j n GLN 80 Cb 0.49 -5.07 -0.06 0.00 0.11 0.00 0.00 30.24 25.71 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 -2.34 2.38 -0.02 -1.09 -0.14 -1.26 -5.05 119.74 112.22 2k2j s LYS 81 Ca 0.00 -1.61 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 2k2j s LYS 81 Cb 0.00 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.95 2k2j s LYS 81 CO 0.00 -0.00 -0.01 0.45 -0.76 0.00 0.00 175.35 175.03 2k2j n SER 82 N -1.26 4.23 -4.12 2.83 2.88 -1.26 -4.17 113.62 112.75 2k2j n SER 82 Ca -0.01 -0.01 -0.34 0.00 -1.33 0.00 0.00 58.87 57.18 2k2j n SER 82 Cb 0.62 0.27 -0.14 0.00 -0.75 0.00 0.00 64.21 64.22 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 -2.04 3.41 0.03 0.66 0.08 -1.26 -3.64 117.98 115.21 2k2j s PHE 83 Ca -0.02 -2.22 0.02 0.00 0.12 0.00 0.00 56.93 54.82 2k2j s PHE 83 Cb 0.01 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 2k2j s PHE 83 CO 0.06 -0.87 -0.06 0.08 -0.10 0.00 0.00 175.22 174.32 2k2j s VAL 84 N 1.15 0.45 0.19 -0.44 1.01 -1.11 -4.05 120.40 117.60 2k2j s VAL 84 Ca -0.01 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.29 2k2j s VAL 84 Cb -0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2k2j s VAL 84 CO -0.03 -0.23 -0.20 -0.36 0.00 0.00 0.00 175.10 174.28 2k2j s PHE 85 N -0.97 2.01 -0.03 5.22 0.40 -0.72 0.12 117.98 124.02 2k2j s PHE 85 Ca -0.07 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 2k2j s PHE 85 Cb -0.07 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.49 2k2j s PHE 85 CO 0.00 0.43 -0.05 0.42 0.70 0.00 0.00 175.22 176.72 2k2j s ILE 86 N -2.05 0.54 -0.17 0.64 1.01 -0.49 -1.01 121.20 119.66 2k2j s ILE 86 Ca 0.19 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 2k2j s ILE 86 Cb -0.06 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2k2j s ILE 86 CO 0.09 0.20 0.41 -0.76 0.00 0.00 0.00 174.94 174.88 2k2j s LEU 87 N 0.51 4.21 -0.32 2.97 2.01 -0.04 -1.87 118.68 126.15 2k2j s LEU 87 Ca -0.07 0.62 -0.05 0.00 0.01 0.00 0.00 54.13 54.65 2k2j s LEU 87 Cb -0.10 -2.56 0.04 0.00 0.01 0.00 0.00 46.19 43.58 2k2j s LEU 87 CO 0.00 -0.03 0.06 -1.61 1.01 0.00 0.00 176.35 175.79 2k2j s GLU 88 N 0.96 2.59 0.10 1.70 2.02 0.81 -2.29 118.70 124.59 2k2j s GLU 88 Ca 0.21 -1.18 -0.31 0.00 0.02 0.00 0.00 54.97 53.71 2k2j s GLU 88 Cb -0.15 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 2k2j s GLU 88 CO 0.08 -0.63 1.69 -1.25 0.02 0.00 0.00 175.26 175.17 2k2j s PRO 89 N 1.36 4.18 -0.01 0.39 0.04 -1.26 -0.20 135.00 139.50 2k2j s PRO 89 Ca -0.03 2.42 0.04 0.00 0.04 0.00 0.00 61.00 63.48 2k2j s PRO 89 Cb -0.19 -3.51 0.15 0.00 0.04 0.00 0.00 34.50 30.99 2k2j s PRO 89 CO 0.01 -0.75 1.03 1.63 0.04 0.00 0.00 177.00 178.97 2k2j n LYS 90 N 5.31 1.49 0.00 4.56 5.02 0.02 -4.16 118.16 130.40 2k2j n LYS 90 Ca 0.16 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 2k2j n LYS 90 Cb 0.39 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2k2j n LYS 90 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k2j n GLN 91 N 0.01 0.00 -0.60 1.97 1.13 -1.26 -4.84 117.38 113.80 2k2j n GLN 91 Ca 0.06 0.45 -0.02 0.00 -1.94 0.00 0.00 57.00 55.54 2k2j n GLN 91 Cb 0.21 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 2k2j n GLN 91 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k2j n GLN 92 N -1.84 0.00 0.00 -1.09 7.27 -1.26 -4.96 117.38 115.50 2k2j n GLN 92 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 57.00 56.73 2k2j n GLN 92 Cb 0.00 0.37 0.00 0.00 2.41 0.00 0.00 30.24 33.02 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2j n GLY 93 N 0.00 1.22 3.33 1.69 0.00 -1.26 -5.10 105.19 105.07 2k2j n GLY 93 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -2.47 -4.77 1.61 9.92 -1.26 -4.89 116.55 114.69 2k2j n ASP 94 Ca 0.00 0.15 -0.40 0.00 -0.53 0.00 0.00 54.79 54.01 2k2j n ASP 94 Cb 0.00 -1.07 0.01 0.00 -0.64 0.00 0.00 41.12 39.42 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 -3.42 3.77 0.63 -0.24 0.04 -1.26 -4.56 135.00 129.96 2k2j s PRO 95 Ca 0.55 2.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.99 2k2j s PRO 95 Cb -0.17 -2.72 0.04 0.00 0.04 0.00 0.00 34.50 31.69 2k2j s PRO 95 CO 0.68 -0.76 0.92 -1.25 0.04 0.00 0.00 177.00 176.63 2k2j s PRO 96 N -2.38 2.50 -0.04 0.56 0.04 -1.26 -4.60 135.00 129.81 2k2j s PRO 96 Ca 0.59 -0.32 0.03 0.00 0.04 0.00 0.00 61.00 61.34 2k2j s PRO 96 Cb -0.44 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2k2j s PRO 96 CO 0.58 -0.94 -0.13 0.08 0.04 0.00 0.00 177.00 176.63 2k2j s VAL 97 N -3.04 1.12 -0.06 -0.36 1.01 -0.97 -4.96 120.40 113.14 2k2j s VAL 97 Ca 0.57 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2k2j s VAL 97 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2k2j s VAL 97 CO 0.43 0.34 0.13 -1.61 0.00 0.00 0.00 175.10 174.40 2k2j s GLU 98 N 0.30 3.34 0.11 2.72 8.01 -1.26 -0.86 118.70 131.07 2k2j s GLU 98 Ca -0.07 -0.28 0.04 0.00 0.01 0.00 0.00 54.97 54.67 2k2j s GLU 98 Cb -0.12 -3.07 -0.04 0.00 -4.31 0.00 0.00 34.13 26.59 2k2j s GLU 98 CO 0.02 0.72 -0.10 -0.06 0.01 0.00 0.00 175.26 175.84 2k2j s PHE 99 N -1.15 1.15 0.05 1.61 0.40 -0.18 -2.35 117.98 117.51 2k2j s PHE 99 Ca 0.20 -0.68 -0.26 0.00 -0.60 0.00 0.00 56.93 55.59 2k2j s PHE 99 Cb -0.12 -0.61 0.07 0.00 0.51 0.00 0.00 43.02 42.86 2k2j s PHE 99 CO 0.11 0.03 0.62 0.00 0.70 0.00 0.00 175.22 176.68 2k2j s ALA 100 N -2.69 -1.61 0.00 5.36 0.00 -0.85 -1.75 121.76 120.21 2k2j s ALA 100 Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2k2j s ALA 100 Cb -0.01 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2k2j s ALA 100 CO 0.00 -0.54 0.00 0.25 0.00 0.00 0.00 175.76 175.47 2k2j n THR 101 N 0.34 0.00 -0.01 0.00 -2.24 -1.26 -3.01 114.28 108.11 2k2j n THR 101 Ca -0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2k2j n THR 101 Cb 0.61 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.02 3.57 -4.39 3.42 5.75 -1.26 -4.95 116.55 117.67 2k2j n ASP 102 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 2k2j n ASP 102 Cb 0.00 1.22 -0.10 0.00 -1.03 0.00 0.00 41.12 41.20 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 -2.40 1.53 0.15 0.11 0.52 -1.26 -5.05 118.95 112.54 2k2j s ARG 103 Ca -0.02 -1.83 0.07 0.00 -0.52 0.00 0.00 55.73 53.42 2k2j s ARG 103 Cb 0.04 -0.63 -0.09 0.00 0.52 0.00 0.00 34.95 34.78 2k2j s ARG 103 CO 0.26 -0.21 1.34 -0.24 0.02 0.00 0.00 175.30 176.47 2k2j h VAL 104 N 2.26 1.64 0.20 3.52 3.04 -1.99 -3.01 116.25 121.91 2k2j h VAL 104 Ca -0.40 -3.10 -0.01 0.00 -1.01 0.00 0.00 66.70 62.18 2k2j h VAL 104 Cb 1.24 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 33.22 2k2j h VAL 104 CO 0.66 0.89 -0.10 -0.33 -1.01 0.00 0.00 177.57 177.68 2k2j h GLU 105 N 0.01 -0.27 -0.09 4.17 5.08 -2.00 -2.65 114.58 118.84 2k2j h GLU 105 Ca -0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2k2j h GLU 105 Cb 1.63 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 2k2j h GLU 105 CO 0.12 0.12 0.11 0.93 -1.00 0.00 0.00 179.01 179.30 2k2j h GLU 106 N -0.78 0.00 0.38 2.33 4.39 -1.99 -0.75 114.58 118.16 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 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2k2j h GLU 106 CO 0.05 0.00 -0.18 1.25 -1.16 0.00 0.00 179.01 178.96 2k2j h LEU 107 N 0.00 -0.43 -1.48 1.33 5.85 -1.40 -2.22 115.31 116.96 2k2j h LEU 107 Ca 0.04 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2k2j h LEU 107 Cb 0.27 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k2j h LEU 107 CO -0.00 -0.02 -0.26 0.15 -0.34 0.00 0.00 178.44 177.97 2k2j h PHE 108 N -0.94 0.00 0.37 1.25 3.57 -1.07 -0.83 116.94 119.28 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 39.28 2k2j h PHE 108 CO 0.03 0.26 -0.18 1.49 -2.23 0.00 0.00 178.31 177.68 2k2j h GLU 109 N 0.00 -0.48 -0.08 1.11 4.57 -1.16 -2.25 114.58 116.29 2k2j h GLU 109 Ca -0.00 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2k2j h GLU 109 Cb 0.54 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2k2j h GLU 109 CO 0.03 -0.20 -0.08 -1.49 -1.18 0.00 0.00 179.01 176.09 2k2j h TRP 110 N -1.03 0.24 -0.05 0.92 4.06 -1.41 -2.84 115.95 115.83 2k2j h TRP 110 Ca -0.05 -0.07 -0.08 0.00 2.06 0.00 0.00 58.89 60.75 2k2j h TRP 110 Cb 0.50 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 2k2j h TRP 110 CO 0.03 0.64 -0.35 0.74 -3.56 0.00 0.00 178.44 175.94 2k2j h PHE 111 N -0.23 0.12 -0.22 0.49 0.04 -1.31 -1.45 116.94 114.39 2k2j h PHE 111 Ca 0.01 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2k2j h PHE 111 Cb 0.60 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 2k2j h PHE 111 CO 0.09 0.44 -0.44 0.37 -0.60 0.00 0.00 178.31 178.17 2k2j h GLN 112 N 0.09 0.53 -0.10 1.51 -0.00 -1.44 -2.23 115.11 113.47 2k2j h GLN 112 Ca 0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 58.65 58.36 2k2j h GLN 112 Cb 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 2k2j h GLN 112 CO 0.05 0.87 -0.00 1.03 0.00 0.00 0.00 178.83 180.78 2k2j h SER 113 N 0.43 0.18 -0.74 -0.69 0.87 -1.19 0.18 113.55 112.60 2k2j h SER 113 Ca 0.03 -0.32 0.14 0.00 -1.23 0.00 0.00 61.79 60.42 2k2j h SER 113 Cb 0.94 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 2k2j h SER 113 CO 0.08 0.45 0.49 0.40 -0.53 0.00 0.00 176.83 177.73 2k2j h ILE 114 N -0.09 0.81 0.00 2.23 2.04 -1.21 0.34 117.51 121.63 2k2j h ILE 114 Ca 0.03 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 2k2j h ILE 114 Cb 0.36 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2k2j h ILE 114 CO 0.01 0.08 -0.78 0.03 0.00 0.00 0.00 178.15 177.48 2k2j h ARG 115 N 0.42 0.00 -0.00 2.37 3.08 -0.99 -3.16 114.38 116.10 2k2j h ARG 115 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2k2j h ARG 115 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2k2j h ARG 115 CO -0.11 0.78 0.04 0.93 -1.07 0.00 0.00 179.97 180.53 2k2j h GLU 116 N 0.00 0.00 0.06 0.04 5.08 0.28 0.58 114.58 120.62 2k2j h GLU 116 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2k2j h GLU 116 Cb 1.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2k2j h GLU 116 CO 0.10 0.00 -1.84 -0.89 -1.00 0.00 0.00 179.01 175.38 2k2j n ILE 117 N -3.08 1.66 -0.08 3.13 -0.00 -1.15 -4.18 119.36 115.66 2k2j n ILE 117 Ca -0.03 -0.42 -0.08 0.00 -0.00 0.00 0.00 62.75 62.21 2k2j n ILE 117 Cb 0.10 -1.82 -0.03 0.00 -0.00 0.00 0.00 39.64 37.90 2k2j n ILE 117 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2k2j n THR 118 N -3.83 1.44 0.08 1.39 5.66 -0.97 -4.51 114.28 113.54 2k2j n THR 118 Ca -0.35 0.16 0.19 0.00 -3.05 0.00 0.00 64.05 61.00 2k2j n THR 118 Cb 0.91 -2.30 0.73 0.00 -1.55 0.00 0.00 70.33 68.12 2k2j n THR 118 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 2k2j h TRP 119 N -0.94 0.00 -3.22 1.09 2.91 -0.28 -3.40 115.95 112.10 2k2j h TRP 119 Ca 0.00 0.00 -0.66 0.00 1.13 0.00 0.00 58.89 59.36 2k2j h TRP 119 Cb 0.94 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 29.47 2k2j h TRP 119 CO -0.40 0.00 -0.61 0.21 -1.03 0.00 0.00 178.44 176.61 2k2j s LYS 120 N -4.87 2.90 -0.31 2.65 2.47 0.72 -4.97 119.74 118.33 2k2j s LYS 120 Ca -0.05 -0.58 0.02 0.00 -1.56 0.00 0.00 55.97 53.80 2k2j s LYS 120 Cb 0.18 -2.75 0.09 0.00 -1.46 0.00 0.00 37.83 33.89 2k2j s LYS 120 CO 0.65 0.62 0.03 0.42 0.16 0.00 0.00 175.35 177.23 2k2j s ILE 121 N -1.19 1.84 -0.08 5.43 1.01 -1.26 -4.51 121.20 122.43 2k2j s ILE 121 Ca 0.23 -1.89 0.04 0.00 0.00 0.00 0.00 60.65 59.03 2k2j s ILE 121 Cb -0.12 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 2k2j s ILE 121 CO 0.14 -0.48 -0.21 -0.62 0.00 0.00 0.00 174.94 173.77 2k2j s ASP 122 N 1.16 2.71 -0.14 3.58 2.15 -1.26 -4.95 116.67 119.92 2k2j s ASP 122 Ca 0.06 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.47 2k2j s ASP 122 Cb -0.19 -1.08 0.04 0.00 -0.30 0.00 0.00 42.92 41.39 2k2j s ASP 122 CO -0.11 0.15 0.20 0.41 -0.17 0.00 0.00 175.17 175.65 2k2j n THR 123 N 3.41-12.61 1.42 1.71 -1.04 -1.26 -5.19 114.28 100.72 2k2j n THR 123 Ca -0.19 2.75 0.14 0.00 -2.04 0.00 0.00 64.05 64.71 2k2j n THR 123 Cb 0.53 -6.34 0.46 0.00 -1.82 0.00 0.00 70.33 63.16 2k2j n THR 123 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72