#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 4.03 -0.01 1.97 2.47 -1.26 -5.04 119.74 121.90 2k2j s LYS 9 Ca 0.00 0.70 0.02 0.00 -1.56 0.00 0.00 55.97 55.12 2k2j s LYS 9 Cb 0.00 -3.71 -0.00 0.00 -1.46 0.00 0.00 37.83 32.66 2k2j s LYS 9 CO 0.00 -0.64 -0.06 -0.51 0.16 0.00 0.00 175.35 174.30 2k2j s ASP 10 N 1.55 0.76 0.57 1.43 1.11 -1.26 -5.15 116.67 115.67 2k2j s ASP 10 Ca 0.33 -0.11 -0.17 0.00 0.18 0.00 0.00 52.55 52.78 2k2j s ASP 10 Cb -0.14 -0.12 -0.05 0.00 1.07 0.00 0.00 42.92 43.67 2k2j s ASP 10 CO 0.11 0.06 1.05 -1.61 1.18 0.00 0.00 175.17 175.96 2k2j s GLU 11 N -0.01 3.46 -0.07 8.23 0.41 -1.26 -5.06 118.70 124.40 2k2j s GLU 11 Ca 0.01 1.22 -0.01 0.00 -0.41 0.00 0.00 54.97 55.78 2k2j s GLU 11 Cb -0.04 -2.05 0.03 0.00 -1.78 0.00 0.00 34.13 30.29 2k2j s GLU 11 CO -0.00 -0.70 -0.01 -1.58 -0.49 0.00 0.00 175.26 172.49 2k2j s HIS 12 N -2.36 0.70 0.13 1.61 5.65 -1.26 -5.13 115.29 114.63 2k2j s HIS 12 Ca 0.64 -0.19 -0.30 0.00 0.25 0.00 0.00 55.06 55.46 2k2j s HIS 12 Cb -0.16 -0.80 -0.06 0.00 -1.18 0.00 0.00 32.58 30.38 2k2j s HIS 12 CO 0.33 -0.32 1.02 0.21 -0.65 0.00 0.00 174.74 175.33 2k2j s LYS 13 N 1.83 4.65 -0.32 2.88 2.20 -1.26 -5.02 119.74 124.70 2k2j s LYS 13 Ca 0.03 1.55 -0.16 0.00 -0.36 0.00 0.00 55.97 57.03 2k2j s LYS 13 Cb -0.12 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2k2j s LYS 13 CO -0.05 0.14 0.42 -1.14 -0.36 0.00 0.00 175.35 174.36 2k2j s GLN 14 N -0.03 3.72 -0.08 4.03 2.00 -1.26 -5.05 119.66 122.99 2k2j s GLN 14 Ca 0.48 -0.17 -0.10 0.00 -2.00 0.00 0.00 55.36 53.57 2k2j s GLN 14 Cb -0.25 -3.76 0.02 0.00 0.80 0.00 0.00 33.01 29.82 2k2j s GLN 14 CO 0.31 -0.49 0.25 -1.14 -0.50 0.00 0.00 175.29 173.72 2k2j s GLN 15 N 2.17 0.37 0.00 1.67 0.74 -1.26 -1.96 119.66 121.39 2k2j s GLN 15 Ca 0.15 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2k2j s GLN 15 Cb -0.16 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.12 2k2j s GLN 15 CO 0.12 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2k2j n GLY 16 N 2.56 -0.55 3.37 2.59 0.00 -0.72 -5.00 105.19 107.45 2k2j n GLY 16 Ca -0.15 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 1.41 0.01 1.61 2.02 -1.26 -1.07 118.70 121.41 2k2j s GLU 17 Ca 0.00 -1.67 -0.28 0.00 0.02 0.00 0.00 54.97 53.05 2k2j s GLU 17 Cb 0.00 -1.09 0.09 0.00 0.10 0.00 0.00 34.13 33.23 2k2j s GLU 17 CO 0.00 0.11 0.76 -1.17 0.02 0.00 0.00 175.26 174.98 2k2j s LEU 18 N -3.36 -0.51 -0.13 1.80 0.20 -0.11 -4.78 118.68 111.79 2k2j s LEU 18 Ca 0.25 0.27 -0.02 0.00 0.69 0.00 0.00 54.13 55.31 2k2j s LEU 18 Cb 0.01 2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 48.05 2k2j s LEU 18 CO 0.09 -0.67 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.13 2k2j s TYR 19 N -2.44 3.03 0.09 5.38 1.51 -1.11 -1.69 117.35 122.12 2k2j s TYR 19 Ca -0.02 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 2k2j s TYR 19 Cb -0.01 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 2k2j s TYR 19 CO -0.03 0.13 -0.18 -1.64 -1.11 0.00 0.00 175.55 172.71 2k2j s MET 20 N -0.09 1.02 0.08 -0.62 -1.94 -1.26 -1.10 119.30 115.38 2k2j s MET 20 Ca 0.02 -1.07 -0.31 0.00 -1.71 0.00 0.00 55.69 52.63 2k2j s MET 20 Cb -0.13 -1.18 -0.08 0.00 2.01 0.00 0.00 34.83 35.45 2k2j s MET 20 CO 0.02 0.27 1.66 -0.46 -0.01 0.00 0.00 175.02 176.51 2k2j s TRP 21 N -1.18 2.44 -0.45 -0.03 -0.00 -0.81 -4.06 118.94 114.85 2k2j s TRP 21 Ca 0.03 0.31 -0.14 0.00 -0.00 0.00 0.00 56.10 56.31 2k2j s TRP 21 Cb -0.10 -3.98 0.07 0.00 -0.00 0.00 0.00 33.47 29.47 2k2j s TRP 21 CO 0.03 -3.91 0.35 -0.51 -0.00 0.00 0.00 176.95 172.92 2k2j s ASP 22 N 2.36 5.99 0.00 5.86 1.11 -0.72 -4.88 116.67 126.39 2k2j s ASP 22 Ca 0.74 -1.35 0.06 0.00 0.18 0.00 0.00 52.55 52.18 2k2j s ASP 22 Cb -0.40 -2.12 0.29 0.00 1.07 0.00 0.00 42.92 41.75 2k2j s ASP 22 CO 0.32 -0.60 1.20 -0.24 1.18 0.00 0.00 175.17 177.03 2k2j n SER 23 N 5.12 0.25 -0.11 0.27 2.88 -1.26 -0.50 113.62 120.26 2k2j n SER 23 Ca -0.12 -1.87 -0.24 0.00 -1.33 0.00 0.00 58.87 55.32 2k2j n SER 23 Cb 0.44 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 2k2j n SER 23 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k2j n ILE 24 N -0.43 1.30 0.63 2.46 5.41 -1.26 -4.54 119.36 122.93 2k2j n ILE 24 Ca 0.05 -0.29 0.12 0.00 1.00 0.00 0.00 62.75 63.63 2k2j n ILE 24 Cb 0.06 -1.85 0.20 0.00 -0.71 0.00 0.00 39.64 37.34 2k2j n ILE 24 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k2j n ASP 25 N -4.07 3.14 -3.85 4.38 9.92 -1.24 -4.98 116.55 119.85 2k2j n ASP 25 Ca -0.44 -1.96 -0.36 0.00 -0.53 0.00 0.00 54.79 51.50 2k2j n ASP 25 Cb 0.80 -0.16 0.02 0.00 -0.64 0.00 0.00 41.12 41.15 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 1.33 -0.84 -2.51 -1.24 3.00 0.34 -4.93 117.38 112.53 2k2j n GLN 26 Ca 0.18 0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 57.54 2k2j n GLN 26 Cb 0.58 -3.18 0.01 0.00 0.00 0.00 0.00 30.24 27.65 2k2j n GLN 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2k2j n LYS 27 N -4.20 0.23 -4.07 -1.09 2.85 -1.07 -5.00 118.16 105.80 2k2j n LYS 27 Ca -0.13 -0.55 -0.36 0.00 -1.05 0.00 0.00 58.31 56.22 2k2j n LYS 27 Cb 0.59 0.77 -0.08 0.00 -0.65 0.00 0.00 35.03 35.65 2k2j n LYS 27 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k2j s TRP 28 N -3.98 3.35 0.29 5.58 0.52 -1.26 -1.75 118.94 121.68 2k2j s TRP 28 Ca 0.10 0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.56 2k2j s TRP 28 Cb -0.01 -1.94 -0.06 0.00 -1.15 0.00 0.00 33.47 30.32 2k2j s TRP 28 CO 0.02 0.47 -0.02 0.95 0.02 0.00 0.00 176.95 178.39 2k2j s THR 29 N -0.54 1.44 -0.12 2.01 -4.23 -1.26 -5.03 115.64 107.90 2k2j s THR 29 Ca 0.11 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 2k2j s THR 29 Cb -0.12 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2k2j s THR 29 CO 0.02 -0.23 0.57 -0.13 -0.54 0.00 0.00 174.62 174.31 2k2j s ARG 30 N -3.79 4.34 -0.06 3.99 0.52 -1.26 -4.06 118.95 118.63 2k2j s ARG 30 Ca 0.31 0.60 0.03 0.00 -0.52 0.00 0.00 55.73 56.15 2k2j s ARG 30 Cb 0.05 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2k2j s ARG 30 CO 0.12 0.04 -0.15 -1.01 0.02 0.00 0.00 175.30 174.32 2k2j s HIS 31 N 0.96 1.64 -0.79 -0.53 3.76 -0.68 -2.92 115.29 116.72 2k2j s HIS 31 Ca 0.30 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 2k2j s HIS 31 Cb -0.16 -1.14 0.08 0.00 1.11 0.00 0.00 32.58 32.47 2k2j s HIS 31 CO 0.12 -0.23 1.10 -0.47 -0.85 0.00 0.00 174.74 174.41 2k2j s TYR 32 N 0.33 2.76 0.48 1.40 5.04 -1.26 -0.94 117.35 125.15 2k2j s TYR 32 Ca -0.10 -0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 53.68 2k2j s TYR 32 Cb -0.14 -4.37 -0.04 0.00 0.35 0.00 0.00 41.96 37.77 2k2j s TYR 32 CO 0.03 -1.67 0.79 0.00 -1.34 0.00 0.00 175.55 173.36 2k2j s ALA 34 N -2.71 -2.70 -0.40 0.00 0.00 -0.85 -1.75 121.76 113.36 2k2j s ALA 34 Ca 0.48 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 54.11 2k2j s ALA 34 Cb -0.10 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2k2j s ALA 34 CO 0.43 -1.16 0.77 0.42 0.00 0.00 0.00 175.76 176.22 2k2j s ILE 35 N 2.74 4.71 -0.22 0.00 1.01 -0.83 -0.85 121.20 127.76 2k2j s ILE 35 Ca 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 60.65 61.28 2k2j s ILE 35 Cb -0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2k2j s ILE 35 CO -0.17 -0.53 0.08 0.00 0.00 0.00 0.00 174.94 174.32 2k2j s ALA 36 N 3.14 3.29 0.00 9.38 0.00 0.40 -4.52 121.76 133.45 2k2j s ALA 36 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2k2j s ALA 36 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2k2j s ALA 36 CO 0.19 -0.22 0.00 -3.47 0.00 0.00 0.00 175.76 172.26 2k2j n ASP 37 N 4.37 0.00 0.00 0.00 2.03 -1.26 -1.23 116.55 120.46 2k2j n ASP 37 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2k2j n ASP 37 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.78 0.00 -2.78 -1.67 0.00 -1.26 -5.10 120.51 112.47 2k2j n ALA 38 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2k2j n ALA 38 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 2.78 -0.26 0.00 1.02 -0.37 -4.07 119.74 118.84 2k2j s LYS 39 Ca 0.00 -1.13 -0.06 0.00 0.02 0.00 0.00 55.97 54.80 2k2j s LYS 39 Cb 0.00 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2k2j s LYS 39 CO 0.00 0.40 0.05 -1.17 -0.92 0.00 0.00 175.35 173.71 2k2j s LEU 40 N -3.78 3.52 -0.39 3.17 2.96 -1.08 -0.45 118.68 122.63 2k2j s LEU 40 Ca 0.32 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 2k2j s LEU 40 Cb -0.08 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.78 2k2j s LEU 40 CO 0.24 -0.10 0.22 -0.94 -1.32 0.00 0.00 176.35 174.44 2k2j s SER 41 N 1.54 5.72 -0.13 3.68 1.04 -0.03 -0.15 113.70 125.37 2k2j s SER 41 Ca 0.05 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 2k2j s SER 41 Cb -0.16 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 2k2j s SER 41 CO 0.02 -0.42 0.12 0.72 0.98 0.00 0.00 173.24 174.65 2k2j s PHE 42 N 1.53 3.49 0.46 5.02 -0.71 0.01 -2.01 117.98 125.78 2k2j s PHE 42 Ca 0.02 0.43 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 2k2j s PHE 42 Cb -0.20 -1.96 0.01 0.00 -1.21 0.00 0.00 43.02 39.66 2k2j s PHE 42 CO 0.06 0.60 0.66 0.45 -1.34 0.00 0.00 175.22 175.65 2k2j s SER 43 N -0.71 5.65 1.00 1.98 0.15 -0.65 -0.81 113.70 120.31 2k2j s SER 43 Ca 0.13 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 2k2j s SER 43 Cb -0.12 -1.17 0.19 0.00 -1.71 0.00 0.00 66.02 63.21 2k2j s SER 43 CO 0.03 -0.81 1.08 1.51 1.20 0.00 0.00 173.24 176.25 2k2j s ASP 44 N -4.29 2.44 0.15 5.45 1.47 -1.26 -4.03 116.67 116.60 2k2j s ASP 44 Ca 0.51 1.68 -0.34 0.00 1.18 0.00 0.00 52.55 55.58 2k2j s ASP 44 Cb -0.10 -2.32 -0.16 0.00 -0.34 0.00 0.00 42.92 40.00 2k2j s ASP 44 CO 0.36 -3.32 1.19 0.47 0.68 0.00 0.00 175.17 174.56 2k2j n ASP 45 N -4.34 1.33 0.15 2.11 8.00 -1.26 -4.46 116.55 118.08 2k2j n ASP 45 Ca 0.07 1.14 0.05 0.00 0.71 0.00 0.00 54.79 56.75 2k2j n ASP 45 Cb 0.54 -1.19 0.06 0.00 -0.02 0.00 0.00 41.12 40.50 2k2j n ASP 45 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2k2j h ILE 46 N 2.81 0.62 0.00 0.53 3.07 -1.87 -3.35 117.51 119.33 2k2j h ILE 46 Ca -0.44 -1.89 0.00 0.00 1.55 0.00 0.00 64.86 64.08 2k2j h ILE 46 Cb 1.35 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 40.19 2k2j h ILE 46 CO 0.72 0.35 -0.42 -1.84 -1.05 0.00 0.00 178.15 175.91 2k2j n GLU 47 N -3.17 1.37 -0.66 0.16 0.28 -1.26 -4.78 120.64 112.58 2k2j n GLU 47 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 2k2j n GLU 47 Cb 0.69 -0.71 0.07 0.00 1.43 0.00 0.00 31.44 32.91 2k2j n GLU 47 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2k2j n GLN 48 N -1.28 1.63 -1.60 3.44 1.13 -1.26 -4.95 117.38 114.49 2k2j n GLN 48 Ca 0.00 -1.40 -0.55 0.00 -1.94 0.00 0.00 57.00 53.10 2k2j n GLN 48 Cb 0.21 -1.55 -0.07 0.00 0.11 0.00 0.00 30.24 28.94 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k2j n THR 49 N -0.05 0.26 1.23 5.09 -2.24 -1.26 -4.76 114.28 112.56 2k2j n THR 49 Ca 0.28 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 2k2j n THR 49 Cb 0.89 -1.32 0.30 0.00 -2.10 0.00 0.00 70.33 68.10 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 6.45 1.49 -2.22 -0.78 2.81 -1.26 -4.91 117.12 118.70 2k2j n MET 50 Ca 0.33 -1.05 -0.42 0.00 -1.81 0.00 0.00 57.70 54.75 2k2j n MET 50 Cb 0.15 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 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 -2.23 4.26 0.14 0.03 2.02 -1.26 -5.01 118.70 116.64 2k2j s GLU 51 Ca 0.28 1.95 0.00 0.00 0.02 0.00 0.00 54.97 57.23 2k2j s GLU 51 Cb 0.20 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2k2j s GLU 51 CO 0.42 -0.63 0.30 -1.83 0.02 0.00 0.00 175.26 173.54 2k2j s GLU 52 N 2.81 3.48 0.00 1.61 1.03 -1.26 -3.75 118.70 122.61 2k2j s GLU 52 Ca 0.64 -0.45 0.00 0.00 0.03 0.00 0.00 54.97 55.19 2k2j s GLU 52 Cb -0.30 -2.95 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 2k2j s GLU 52 CO 0.25 0.51 0.00 -3.47 -1.33 0.00 0.00 175.26 171.22 2k2j n ASP 53 N -0.28 0.00 -3.20 0.83 2.03 -1.26 -4.64 116.55 110.03 2k2j n ASP 53 Ca -0.05 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.02 2k2j n ASP 53 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k2j n ASN 54 N 0.68 1.60 0.00 1.67 3.02 -1.26 -4.92 115.26 116.05 2k2j n ASN 54 Ca 0.00 -3.05 0.05 0.00 -0.03 0.00 0.00 54.58 51.55 2k2j n ASN 54 Cb 0.00 -0.63 0.32 0.00 -0.61 0.00 0.00 39.78 38.86 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k2j n PRO 55 N 0.79 0.55 -0.24 3.52 -0.02 -1.25 -3.54 135.00 134.81 2k2j n PRO 55 Ca 0.25 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.70 2k2j n PRO 55 Cb 0.52 -1.30 0.08 0.00 -0.02 0.00 0.00 33.50 32.78 2k2j n PRO 55 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k2j h LEU 56 N 0.00 0.67 -0.15 2.45 5.85 -1.91 -3.49 115.31 118.73 2k2j h LEU 56 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2k2j h LEU 56 Cb 0.00 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2k2j h LEU 56 CO 0.00 0.46 -0.32 0.61 -0.34 0.00 0.00 178.44 178.85 2k2j n GLY 57 N -1.29 -2.82 1.11 3.75 0.00 -1.23 -5.09 105.19 99.62 2k2j n GLY 57 Ca 0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 2k2j n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k2j n SER 58 N -2.58 -0.44 -4.92 1.61 3.41 -1.26 -5.16 113.62 104.28 2k2j n SER 58 Ca -0.02 -1.63 -0.21 0.00 -0.26 0.00 0.00 58.87 56.74 2k2j n SER 58 Cb 0.17 0.83 0.08 0.00 -0.26 0.00 0.00 64.21 65.02 2k2j n SER 58 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k2j s LEU 59 N 0.00 3.08 -0.18 1.04 2.01 -1.26 -4.29 118.68 119.08 2k2j s LEU 59 Ca 0.10 -0.70 -0.15 0.00 0.01 0.00 0.00 54.13 53.39 2k2j s LEU 59 Cb -0.00 -1.75 0.02 0.00 0.01 0.00 0.00 46.19 44.47 2k2j s LEU 59 CO 0.07 -1.50 0.26 0.00 1.01 0.00 0.00 176.35 176.19 2k2j n ARG 61 N 0.72 0.65 -3.59 0.00 3.00 0.01 -4.93 116.66 112.53 2k2j n ARG 61 Ca -0.03 0.15 -0.07 0.00 -0.00 0.00 0.00 57.85 57.89 2k2j n ARG 61 Cb 0.56 -1.70 -0.04 0.00 0.00 0.00 0.00 32.46 31.28 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 -5.06 -0.22 -0.00 5.14 0.00 -0.34 -4.95 107.32 101.89 2k2j s GLY 62 Ca -0.06 1.98 0.05 0.00 0.00 0.00 0.00 44.72 46.70 2k2j s GLY 62 CO 0.83 0.85 -0.16 -0.42 0.00 0.00 0.00 173.10 174.19 2k2j s ILE 63 N -1.63 2.89 -0.37 0.90 1.01 -1.26 -0.81 121.20 121.93 2k2j s ILE 63 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2k2j s ILE 63 Cb -0.01 -2.17 0.10 0.00 0.01 0.00 0.00 42.46 40.40 2k2j s ILE 63 CO -0.03 0.47 0.13 -0.22 0.00 0.00 0.00 174.94 175.28 2k2j s LEU 64 N -1.07 4.99 -0.62 2.97 2.96 0.78 -4.96 118.68 123.73 2k2j s LEU 64 Ca 0.13 -2.07 -0.26 0.00 -0.22 0.00 0.00 54.13 51.71 2k2j s LEU 64 Cb -0.11 -1.73 -0.11 0.00 0.50 0.00 0.00 46.19 44.74 2k2j s LEU 64 CO 0.03 -0.46 2.45 0.47 -1.32 0.00 0.00 176.35 177.52 2k2j n ASP 65 N 4.43 1.85 -0.68 3.68 9.92 -1.26 -2.65 116.55 131.85 2k2j n ASP 65 Ca 0.00 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.72 2k2j n ASP 65 Cb 0.42 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 2k2j n ASP 65 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k2j n LEU 66 N 15.28 1.39 -0.22 0.64 4.77 -1.26 -2.54 117.00 135.06 2k2j n LEU 66 Ca 0.43 -0.70 0.04 0.00 -0.03 0.00 0.00 56.01 55.76 2k2j n LEU 66 Cb 0.45 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2k2j n LEU 66 CO 0.73 0.27 0.25 0.59 -1.33 0.00 0.00 177.39 177.90 2k2j n ASN 67 N 0.28 1.24 -2.94 -1.43 5.03 -1.26 -3.54 115.26 112.62 2k2j n ASN 67 Ca 0.00 -1.12 -0.14 0.00 0.87 0.00 0.00 54.58 54.20 2k2j n ASN 67 Cb 0.27 0.34 0.01 0.00 -1.02 0.00 0.00 39.78 39.38 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 -0.09 0.24 -4.01 3.41 -2.24 -1.05 -5.02 114.28 105.51 2k2j n THR 68 Ca 0.04 -3.62 -0.10 0.00 -2.27 0.00 0.00 64.05 58.10 2k2j n THR 68 Cb 0.17 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.48 -0.04 4.78 2.02 -1.26 -0.35 117.35 120.73 2k2j s TYR 69 Ca 0.33 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2k2j s TYR 69 Cb 0.38 0.14 0.02 0.00 -0.40 0.00 0.00 41.96 42.11 2k2j s TYR 69 CO -0.04 -1.01 -0.02 -0.80 -1.57 0.00 0.00 175.55 172.11 2k2j s ASN 70 N -3.05 0.71 -0.16 2.29 0.01 0.71 -4.75 114.94 110.71 2k2j s ASN 70 Ca 0.24 -0.08 -0.14 0.00 -0.71 0.00 0.00 52.86 52.18 2k2j s ASN 70 Cb -0.00 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.28 2k2j s ASN 70 CO 0.11 -0.08 0.29 -0.69 -1.51 0.00 0.00 177.10 175.22 2k2j s VAL 71 N 1.00 5.30 -0.04 1.60 1.01 -1.26 -0.25 120.40 127.78 2k2j s VAL 71 Ca -0.10 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2k2j s VAL 71 Cb -0.14 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2k2j s VAL 71 CO -0.01 0.39 -0.06 0.68 0.00 0.00 0.00 175.10 176.10 2k2j s VAL 72 N 0.46 0.63 -0.51 2.92 -7.23 -0.41 -4.98 120.40 111.28 2k2j s VAL 72 Ca 0.17 -0.22 -0.28 0.00 -1.81 0.00 0.00 61.98 59.84 2k2j s VAL 72 Cb -0.13 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.22 2k2j s VAL 72 CO 0.04 0.23 1.12 -0.75 -0.31 0.00 0.00 175.10 175.43 2k2j s LYS 73 N 0.63 3.62 -0.24 4.82 2.36 -1.26 -0.98 119.74 128.68 2k2j s LYS 73 Ca -0.09 0.38 -0.18 0.00 -2.55 0.00 0.00 55.97 53.53 2k2j s LYS 73 Cb -0.12 -3.95 -0.03 0.00 -1.05 0.00 0.00 37.83 32.68 2k2j s LYS 73 CO 0.01 -1.46 0.51 0.00 1.55 0.00 0.00 175.35 175.96 2k2j s ALA 74 N 4.49 3.58 0.72 3.13 0.00 0.25 -4.99 121.76 128.94 2k2j s ALA 74 Ca 0.44 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 2k2j s ALA 74 Cb -0.08 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2k2j s ALA 74 CO 0.29 -0.65 1.10 -1.25 0.00 0.00 0.00 175.76 175.24 2k2j s PRO 75 N 2.11 2.62 -1.71 0.00 0.04 -1.26 -2.65 135.00 134.15 2k2j s PRO 75 Ca 0.22 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2k2j s PRO 75 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2k2j s PRO 75 CO 0.09 -1.15 0.00 1.04 0.04 0.00 0.00 177.00 177.02 2k2j n GLN 76 N -3.04 -1.42 0.00 4.56 6.02 -1.20 -4.61 117.38 117.69 2k2j n GLN 76 Ca 0.07 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2k2j n GLN 76 Cb 0.58 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.55 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 -0.37 1.04 2.07 1.08 0.00 -0.24 -4.58 105.19 104.20 2k2j n GLY 77 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 8.09 0.00 -0.02 1.61 3.00 -1.26 -4.60 118.16 124.97 2k2j n LYS 78 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 2k2j n LYS 78 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 2k2j n LYS 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2k2j n ASN 79 N -3.32 0.57 -0.13 3.14 3.02 -1.26 -4.90 115.26 112.38 2k2j n ASN 79 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2k2j n ASN 79 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.07 0.05 -1.45 3.52 6.02 -1.26 -5.10 117.38 116.09 2k2j n GLN 80 Ca -0.04 -0.65 -0.08 0.00 -0.01 0.00 0.00 57.00 56.22 2k2j n GLN 80 Cb 0.14 -0.51 0.04 0.00 1.02 0.00 0.00 30.24 30.92 2k2j n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k2j n LYS 81 N -0.02 0.54 0.00 -1.09 4.76 -1.26 -5.06 118.16 116.03 2k2j n LYS 81 Ca 0.00 -1.02 0.00 0.00 -2.87 0.00 0.00 58.31 54.42 2k2j n LYS 81 Cb 0.55 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 2k2j n LYS 81 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k2j n SER 82 N -2.89 3.78 -3.97 4.39 2.88 -1.26 -3.73 113.62 112.81 2k2j n SER 82 Ca 0.06 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2k2j n SER 82 Cb 0.21 0.33 -0.15 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.78 2.89 0.03 0.66 0.08 -1.26 -1.07 117.98 117.52 2k2j s PHE 83 Ca 0.00 -2.23 0.05 0.00 0.12 0.00 0.00 56.93 54.87 2k2j s PHE 83 Cb 0.00 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2k2j s PHE 83 CO 0.00 -0.86 -0.14 0.08 -0.10 0.00 0.00 175.22 174.20 2k2j s VAL 84 N 1.22 1.11 -0.09 -0.44 1.01 -1.08 -3.97 120.40 118.15 2k2j s VAL 84 Ca -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2k2j s VAL 84 Cb -0.19 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.22 2k2j s VAL 84 CO -0.09 0.09 -0.15 -0.36 0.00 0.00 0.00 175.10 174.60 2k2j s PHE 85 N -0.70 1.85 -0.03 5.22 0.40 -0.89 0.84 117.98 124.67 2k2j s PHE 85 Ca 0.03 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.52 2k2j s PHE 85 Cb -0.07 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2k2j s PHE 85 CO 0.01 -0.40 0.17 0.42 0.70 0.00 0.00 175.22 176.12 2k2j s ILE 86 N 0.81 5.45 -0.16 0.64 1.01 -0.15 -1.58 121.20 127.22 2k2j s ILE 86 Ca -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2k2j s ILE 86 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2k2j s ILE 86 CO 0.02 0.39 -0.01 -0.76 0.00 0.00 0.00 174.94 174.58 2k2j s LEU 87 N -1.73 3.40 -0.31 2.97 1.43 0.05 -1.29 118.68 123.20 2k2j s LEU 87 Ca 0.25 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2k2j s LEU 87 Cb -0.12 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.32 2k2j s LEU 87 CO 0.15 0.17 0.02 -1.61 0.23 0.00 0.00 176.35 175.31 2k2j s GLU 88 N 0.36 2.37 0.74 1.70 2.02 0.66 -2.36 118.70 124.18 2k2j s GLU 88 Ca -0.02 -1.33 -0.15 0.00 0.02 0.00 0.00 54.97 53.48 2k2j s GLU 88 Cb -0.14 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.91 2k2j s GLU 88 CO 0.02 -0.67 1.14 -0.35 0.02 0.00 0.00 175.26 175.43 2k2j n PRO 89 N 4.61 0.54 0.00 0.39 -0.04 -1.26 -0.20 135.00 139.03 2k2j n PRO 89 Ca -0.12 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2k2j n PRO 89 Cb 0.43 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 -2.42 -0.05 0.30 0.54 5.02 0.53 -4.79 118.16 117.29 2k2j n LYS 90 Ca 0.14 -0.62 -0.17 0.00 -2.02 0.00 0.00 58.31 55.64 2k2j n LYS 90 Cb 0.49 -0.91 -0.08 0.00 -0.02 0.00 0.00 35.03 34.51 2k2j n LYS 90 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2k2j h GLN 91 N 0.00 -0.76 0.00 1.97 4.20 -1.93 -3.48 115.11 115.11 2k2j h GLN 91 Ca 0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2k2j h GLN 91 Cb 0.21 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2k2j h GLN 91 CO 0.00 -0.50 0.00 0.94 -0.67 0.00 0.00 178.83 178.60 2k2j n GLN 92 N -5.45 0.00 -2.31 1.46 7.27 -1.26 -5.01 117.38 112.09 2k2j n GLN 92 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 2k2j n GLN 92 Cb 0.34 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.04 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 -1.01 1.91 3.80 1.69 0.00 -1.26 -5.11 105.19 105.21 2k2j n GLY 93 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.22 5.06 0.46 1.61 1.11 -1.26 -5.05 116.67 115.38 2k2j s ASP 94 Ca 0.31 1.69 -0.13 0.00 0.18 0.00 0.00 52.55 54.60 2k2j s ASP 94 Cb 0.35 -2.50 -0.07 0.00 1.07 0.00 0.00 42.92 41.77 2k2j s ASP 94 CO -0.08 -1.66 0.87 -2.16 1.18 0.00 0.00 175.17 173.32 2k2j s PRO 95 N -5.00 3.84 0.74 8.23 0.04 -1.26 -4.69 135.00 136.90 2k2j s PRO 95 Ca 0.59 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 2k2j s PRO 95 Cb -0.15 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.16 2k2j s PRO 95 CO 0.55 -0.15 1.10 -1.25 0.04 0.00 0.00 177.00 177.29 2k2j s PRO 96 N -3.99 2.37 -0.02 0.56 0.04 -1.26 -4.60 135.00 128.09 2k2j s PRO 96 Ca 0.54 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.73 2k2j s PRO 96 Cb -0.10 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2k2j s PRO 96 CO 0.32 -1.27 -0.01 0.08 0.04 0.00 0.00 177.00 176.16 2k2j s VAL 97 N -3.39 0.22 -0.10 -0.36 1.01 -1.00 -4.96 120.40 111.83 2k2j s VAL 97 Ca 0.60 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 2k2j s VAL 97 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2k2j s VAL 97 CO 0.49 0.13 0.17 -1.61 0.00 0.00 0.00 175.10 174.27 2k2j s GLU 98 N 0.65 3.49 0.17 2.72 8.01 -1.26 -0.77 118.70 131.71 2k2j s GLU 98 Ca -0.07 -0.09 0.06 0.00 0.01 0.00 0.00 54.97 54.89 2k2j s GLU 98 Cb -0.10 -3.18 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 2k2j s GLU 98 CO -0.01 0.76 -0.13 -0.06 0.01 0.00 0.00 175.26 175.83 2k2j s PHE 99 N -1.06 1.52 0.08 1.61 0.40 -0.61 -1.93 117.98 117.98 2k2j s PHE 99 Ca 0.17 -0.62 -0.25 0.00 -0.60 0.00 0.00 56.93 55.63 2k2j s PHE 99 Cb -0.13 -0.74 0.07 0.00 0.51 0.00 0.00 43.02 42.73 2k2j s PHE 99 CO 0.06 0.23 0.60 0.00 0.70 0.00 0.00 175.22 176.82 2k2j s ALA 100 N -2.87 -1.58 0.00 5.36 0.00 -0.26 -2.10 121.76 120.31 2k2j s ALA 100 Ca 0.18 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2k2j s ALA 100 Cb -0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2k2j s ALA 100 CO 0.04 -0.60 0.00 0.25 0.00 0.00 0.00 175.76 175.45 2k2j n THR 101 N 0.14 0.00 -0.10 0.00 -2.24 -1.25 -2.74 114.28 108.08 2k2j n THR 101 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2k2j n THR 101 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.13 0.54 -3.97 3.42 9.92 -1.26 -4.91 116.55 119.16 2k2j n ASP 102 Ca 0.00 -0.79 -0.12 0.00 -0.53 0.00 0.00 54.79 53.34 2k2j n ASP 102 Cb 0.00 0.31 -0.08 0.00 -0.64 0.00 0.00 41.12 40.70 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 -0.31 1.40 -0.04 -1.24 0.52 -1.26 -5.07 118.95 112.95 2k2j s ARG 103 Ca 0.00 -1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 53.38 2k2j s ARG 103 Cb 0.00 0.33 -0.28 0.00 0.52 0.00 0.00 34.95 35.53 2k2j s ARG 103 CO 0.00 -0.51 0.96 0.28 0.02 0.00 0.00 175.30 176.05 2k2j h VAL 104 N 2.44 1.51 -0.25 3.52 2.07 -1.99 -2.83 116.25 120.72 2k2j h VAL 104 Ca -0.32 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 64.84 2k2j h VAL 104 Cb 1.25 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.00 2k2j h VAL 104 CO 0.46 0.66 0.03 -0.33 0.02 0.00 0.00 177.57 178.41 2k2j h GLU 105 N -0.35 0.42 -0.56 1.57 5.08 -1.98 -1.06 114.58 117.71 2k2j h GLU 105 Ca -0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2k2j h GLU 105 Cb 1.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 2k2j h GLU 105 CO 0.12 0.56 0.35 0.93 -1.00 0.00 0.00 179.01 179.97 2k2j h GLU 106 N 0.23 0.75 0.51 2.33 4.39 -1.99 0.33 114.58 121.13 2k2j h GLU 106 Ca 0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2k2j h GLU 106 Cb 0.34 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k2j h GLU 106 CO 0.01 0.51 -0.24 1.25 -1.16 0.00 0.00 179.01 179.38 2k2j h LEU 107 N 0.76 -0.58 -1.85 1.33 5.85 -1.22 -0.90 115.31 118.71 2k2j h LEU 107 Ca 0.20 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2k2j h LEU 107 Cb -0.05 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2k2j h LEU 107 CO -0.04 -0.30 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.37 2k2j h PHE 108 N -0.85 0.00 0.19 1.25 -1.00 -0.87 -1.06 116.94 114.60 2k2j h PHE 108 Ca -0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 2k2j h PHE 108 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2k2j h PHE 108 CO -0.01 0.14 -0.09 1.49 -1.61 0.00 0.00 178.31 178.23 2k2j h GLU 109 N 0.00 -0.25 -0.49 1.51 4.81 -0.16 -2.15 114.58 117.85 2k2j h GLU 109 Ca -0.00 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2k2j h GLU 109 Cb 0.30 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2k2j h GLU 109 CO 0.02 -0.01 -0.19 -1.49 -0.73 0.00 0.00 179.01 176.62 2k2j h TRP 110 N -1.02 1.13 -0.00 0.92 4.06 -1.17 -2.85 115.95 117.03 2k2j h TRP 110 Ca -0.03 -0.27 -0.16 0.00 2.06 0.00 0.00 58.89 60.49 2k2j h TRP 110 Cb 0.36 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 2k2j h TRP 110 CO 0.04 1.09 -0.77 0.74 -3.56 0.00 0.00 178.44 175.98 2k2j h PHE 111 N 0.85 0.04 -0.54 0.49 0.04 -1.35 -2.62 116.94 113.86 2k2j h PHE 111 Ca 0.12 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 2k2j h PHE 111 Cb 0.76 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2k2j h PHE 111 CO 0.05 0.79 -0.07 0.37 -0.60 0.00 0.00 178.31 178.85 2k2j h GLN 112 N 0.02 1.01 -0.11 1.51 4.15 -1.34 -1.92 115.11 118.43 2k2j h GLN 112 Ca -0.01 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.03 2k2j h GLN 112 Cb 1.37 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 2k2j h GLN 112 CO 0.10 1.04 0.01 0.66 -1.93 0.00 0.00 178.83 178.71 2k2j h SER 113 N 0.89 0.18 -0.80 -0.69 4.64 -1.48 0.29 113.55 116.58 2k2j h SER 113 Ca 0.14 -0.29 0.13 0.00 -0.47 0.00 0.00 61.79 61.31 2k2j h SER 113 Cb 0.64 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 2k2j h SER 113 CO 0.04 0.43 0.52 0.40 -0.87 0.00 0.00 176.83 177.35 2k2j h ILE 114 N -0.07 0.84 0.00 0.95 2.04 -1.41 0.21 117.51 120.07 2k2j h ILE 114 Ca 0.03 -0.19 -0.18 0.00 1.00 0.00 0.00 64.86 65.52 2k2j h ILE 114 Cb 0.33 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2k2j h ILE 114 CO 0.00 0.10 -0.84 0.03 0.00 0.00 0.00 178.15 177.44 2k2j h ARG 115 N 0.57 0.04 0.00 2.37 3.08 -0.96 -2.19 114.38 117.29 2k2j h ARG 115 Ca 0.39 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2k2j h ARG 115 Cb 0.71 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2k2j h ARG 115 CO -0.15 0.86 -0.00 0.93 -1.07 0.00 0.00 179.97 180.54 2k2j h GLU 116 N 0.02 0.00 0.00 0.04 5.08 0.29 0.36 114.58 120.36 2k2j h GLU 116 Ca -0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2k2j h GLU 116 Cb 1.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 2k2j h GLU 116 CO 0.11 0.00 -1.80 -0.89 -1.00 0.00 0.00 179.01 175.44 2k2j n ILE 117 N -3.16 0.80 -0.07 3.13 5.41 -1.06 -4.42 119.36 119.99 2k2j n ILE 117 Ca -0.03 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.19 2k2j n ILE 117 Cb 0.09 -0.74 -0.02 0.00 -0.71 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 -2.50 1.18 0.09 1.39 -2.24 -0.83 -4.49 114.28 106.89 2k2j n THR 118 Ca -0.20 0.22 0.19 0.00 -2.27 0.00 0.00 64.05 61.99 2k2j n THR 118 Cb 0.86 -2.18 0.74 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.79 0.00 -3.27 4.78 2.91 -0.59 -3.41 115.95 115.57 2k2j h TRP 119 Ca 0.00 0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.86 2k2j h TRP 119 Cb 0.75 0.00 -0.24 0.00 -0.51 0.00 0.00 29.16 29.16 2k2j h TRP 119 CO -0.32 0.00 -0.46 -1.59 -1.03 0.00 0.00 178.44 175.04 2k2j s LYS 120 N -4.80 0.34 -0.32 2.65 -2.85 0.11 -5.00 119.74 109.86 2k2j s LYS 120 Ca -0.05 0.09 0.03 0.00 -1.00 0.00 0.00 55.97 55.05 2k2j s LYS 120 Cb 0.17 0.15 0.09 0.00 -2.06 0.00 0.00 37.83 36.19 2k2j s LYS 120 CO 0.63 -0.06 0.02 0.42 0.10 0.00 0.00 175.35 176.46 2k2j s ILE 121 N -0.35 2.15 -0.02 3.79 1.09 -1.26 -3.42 121.20 123.18 2k2j s ILE 121 Ca -0.05 -2.14 0.03 0.00 -1.10 0.00 0.00 60.65 57.40 2k2j s ILE 121 Cb -0.03 -2.53 0.05 0.00 -1.06 0.00 0.00 42.46 38.89 2k2j s ILE 121 CO 0.01 -0.50 1.03 0.47 -0.10 0.00 0.00 174.94 175.85 2k2j n ASP 122 N 4.33 0.34 0.28 3.58 9.92 -1.26 -4.82 116.55 128.92 2k2j n ASP 122 Ca 0.00 -2.15 0.17 0.00 -0.53 0.00 0.00 54.79 52.28 2k2j n ASP 122 Cb 0.42 -0.23 0.78 0.00 -0.64 0.00 0.00 41.12 41.45 2k2j n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j h THR 123 N 6.06 0.17 -0.01 -3.53 1.03 -1.90 -3.54 112.91 111.20 2k2j h THR 123 Ca -0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2k2j h THR 123 Cb 1.36 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 2k2j h THR 123 CO 0.00 0.05 0.00 2.29 -0.01 0.00 0.00 175.52 177.85