#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 1.48 -0.19 -1.58 1.02 -1.26 -5.10 119.74 114.11 2k2j s LYS 9 Ca 0.00 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.75 2k2j s LYS 9 Cb 0.00 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 2k2j s LYS 9 CO 0.00 -1.60 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.15 2k2j s ASP 10 N -4.82 3.31 -0.23 2.83 1.01 -1.26 -5.10 116.67 112.41 2k2j s ASP 10 Ca 0.68 -0.78 -0.16 0.00 0.71 0.00 0.00 52.55 53.01 2k2j s ASP 10 Cb -0.04 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.44 2k2j s ASP 10 CO 0.45 -0.06 0.43 -0.70 0.21 0.00 0.00 175.17 175.51 2k2j s GLU 11 N 1.30 4.11 0.00 8.23 2.12 -1.26 -4.94 118.70 128.26 2k2j s GLU 11 Ca 0.02 0.20 0.23 0.00 0.36 0.00 0.00 54.97 55.78 2k2j s GLU 11 Cb -0.14 -3.60 0.52 0.00 0.26 0.00 0.00 34.13 31.17 2k2j s GLU 11 CO -0.11 -0.18 1.44 0.72 -0.54 0.00 0.00 175.26 176.59 2k2j n HIS 12 N 4.98 0.34 -2.48 5.30 8.25 -1.26 -5.03 115.22 125.32 2k2j n HIS 12 Ca -0.07 -0.17 -0.04 0.00 -0.26 0.00 0.00 57.72 57.18 2k2j n HIS 12 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2k2j n HIS 12 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2k2j n LYS 13 N 1.08 -4.84 -1.96 -0.41 5.02 -1.26 -4.91 118.16 110.89 2k2j n LYS 13 Ca 0.18 3.58 -0.40 0.00 -2.02 0.00 0.00 58.31 59.65 2k2j n LYS 13 Cb 0.51 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 2k2j n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k2j s GLN 14 N -0.66 3.89 -0.28 1.97 -1.52 -1.26 -4.90 119.66 116.89 2k2j s GLN 14 Ca -0.18 2.27 -0.23 0.00 -1.95 0.00 0.00 55.36 55.27 2k2j s GLN 14 Cb 0.01 -2.74 0.13 0.00 -0.22 0.00 0.00 33.01 30.19 2k2j s GLN 14 CO 0.47 -0.59 1.05 -1.14 -0.25 0.00 0.00 175.29 174.83 2k2j s GLN 15 N -2.29 0.44 0.00 2.91 0.74 -1.26 -0.93 119.66 119.27 2k2j s GLN 15 Ca 0.58 0.57 0.00 0.00 0.05 0.00 0.00 55.36 56.56 2k2j s GLN 15 Cb -0.40 0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.90 2k2j s GLN 15 CO 0.52 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 2k2j n GLY 16 N 2.50 -0.59 3.06 2.59 0.00 -0.52 -4.98 105.19 107.24 2k2j n GLY 16 Ca -0.14 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.35 1.21 0.17 1.61 2.02 -1.26 -0.83 118.70 121.26 2k2j s GLU 17 Ca 0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.56 2k2j s GLU 17 Cb 0.00 -1.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 2k2j s GLU 17 CO 0.00 0.19 0.06 -0.51 0.02 0.00 0.00 175.26 175.02 2k2j s LEU 18 N 0.04 1.75 -0.05 1.80 1.43 -0.42 -4.85 118.68 118.37 2k2j s LEU 18 Ca -0.01 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 2k2j s LEU 18 Cb -0.09 0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.29 2k2j s LEU 18 CO 0.01 -0.70 -0.06 -0.31 0.23 0.00 0.00 176.35 175.51 2k2j s TYR 19 N -3.93 2.94 -0.01 0.29 1.51 -1.12 -1.93 117.35 115.10 2k2j s TYR 19 Ca 0.28 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 2k2j s TYR 19 Cb 0.07 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2k2j s TYR 19 CO 0.05 0.35 -0.02 -1.64 -1.11 0.00 0.00 175.55 173.18 2k2j s MET 20 N -0.93 0.23 -0.01 -0.62 -1.94 -1.26 -1.91 119.30 112.84 2k2j s MET 20 Ca 0.13 -0.04 -0.33 0.00 -1.71 0.00 0.00 55.69 53.74 2k2j s MET 20 Cb -0.11 -0.28 -0.12 0.00 2.01 0.00 0.00 34.83 36.33 2k2j s MET 20 CO 0.03 -0.00 1.84 1.87 -0.01 0.00 0.00 175.02 178.75 2k2j n TRP 21 N 3.36 2.38 -3.51 -0.03 -0.00 -0.91 -4.39 117.44 114.34 2k2j n TRP 21 Ca -0.17 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.50 56.88 2k2j n TRP 21 Cb 0.56 -2.67 -0.08 0.00 -0.00 0.00 0.00 31.31 29.12 2k2j n TRP 21 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2k2j s ASP 22 N 3.52 5.81 0.00 5.87 1.01 -0.96 -4.85 116.67 127.07 2k2j s ASP 22 Ca 0.89 -1.70 0.25 0.00 0.71 0.00 0.00 52.55 52.70 2k2j s ASP 22 Cb -0.63 -2.05 1.36 0.00 1.01 0.00 0.00 42.92 42.60 2k2j s ASP 22 CO 0.47 -0.67 1.85 -1.54 0.21 0.00 0.00 175.17 175.49 2k2j n SER 23 N 5.00 0.00 -0.01 0.27 3.41 -1.26 0.22 113.62 121.25 2k2j n SER 23 Ca -0.10 -0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.03 2k2j n SER 23 Cb 0.42 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.37 -0.02 -1.33 1.08 -1.95 -3.35 117.51 113.31 2k2j h ILE 24 Ca 0.00 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 2k2j h ILE 24 Cb 0.14 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 2k2j h ILE 24 CO 0.00 0.36 0.00 0.47 -0.69 0.00 0.00 178.15 178.29 2k2j n ASP 25 N -4.81 1.72 -3.21 1.72 8.00 -1.22 -5.03 116.55 113.71 2k2j n ASP 25 Ca -0.09 -1.37 -0.10 0.00 0.71 0.00 0.00 54.79 53.95 2k2j n ASP 25 Cb 0.31 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n GLN 26 N 0.43 -1.62 -3.85 -1.24 1.13 0.13 -5.02 117.38 107.35 2k2j n GLN 26 Ca 0.05 1.46 -0.01 0.00 -1.94 0.00 0.00 57.00 56.56 2k2j n GLN 26 Cb 0.21 -4.74 0.01 0.00 0.11 0.00 0.00 30.24 25.83 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 -3.30 0.88 -0.29 -1.09 -2.85 -0.99 -5.01 119.74 107.09 2k2j s LYS 27 Ca 0.08 -0.55 -0.08 0.00 -1.00 0.00 0.00 55.97 54.42 2k2j s LYS 27 Cb -0.02 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2k2j s LYS 27 CO 0.79 -0.41 0.11 -1.58 0.10 0.00 0.00 175.35 174.36 2k2j s TRP 28 N -2.31 3.14 0.40 1.78 0.52 -1.26 -2.26 118.94 118.96 2k2j s TRP 28 Ca 0.21 -0.69 0.08 0.00 0.02 0.00 0.00 56.10 55.72 2k2j s TRP 28 Cb -0.01 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 2k2j s TRP 28 CO 0.02 -0.48 0.26 0.95 0.02 0.00 0.00 176.95 177.72 2k2j s THR 29 N 1.57 2.58 -0.17 2.01 -4.23 -1.26 -5.05 115.64 111.09 2k2j s THR 29 Ca 0.04 -1.53 -0.20 0.00 -1.18 0.00 0.00 61.69 58.82 2k2j s THR 29 Cb -0.17 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 2k2j s THR 29 CO 0.04 -0.03 0.56 -0.60 -0.54 0.00 0.00 174.62 174.06 2k2j s ARG 30 N -4.00 4.25 0.17 3.99 3.52 -1.26 -4.28 118.95 121.34 2k2j s ARG 30 Ca 0.44 0.53 0.10 0.00 -0.13 0.00 0.00 55.73 56.66 2k2j s ARG 30 Cb -0.00 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2k2j s ARG 30 CO 0.25 -0.10 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.41 2k2j s HIS 31 N 1.47 2.06 -0.49 5.12 3.76 -0.81 -3.77 115.29 122.62 2k2j s HIS 31 Ca 0.27 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.69 2k2j s HIS 31 Cb -0.16 -1.03 0.12 0.00 1.11 0.00 0.00 32.58 32.63 2k2j s HIS 31 CO 0.11 0.40 0.36 -0.47 -0.85 0.00 0.00 174.74 174.29 2k2j s TYR 32 N -1.79 3.45 0.50 1.40 6.14 -1.26 -1.29 117.35 124.51 2k2j s TYR 32 Ca 0.17 -1.97 -0.00 0.00 0.64 0.00 0.00 57.07 55.91 2k2j s TYR 32 Cb -0.07 -3.47 0.01 0.00 0.42 0.00 0.00 41.96 38.84 2k2j s TYR 32 CO 0.08 -0.99 0.74 0.00 0.64 0.00 0.00 175.55 176.02 2k2j s ALA 34 N -2.69 -2.84 -0.37 0.00 0.00 -1.05 -1.44 121.76 113.37 2k2j s ALA 34 Ca 0.52 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 54.24 2k2j s ALA 34 Cb -0.10 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.91 2k2j s ALA 34 CO 0.39 -0.97 0.74 0.42 0.00 0.00 0.00 175.76 176.34 2k2j s ILE 35 N 2.38 4.77 -0.05 0.00 1.01 -0.10 -2.38 121.20 126.84 2k2j s ILE 35 Ca -0.02 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.39 2k2j s ILE 35 Cb -0.05 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.26 2k2j s ILE 35 CO -0.17 -0.43 -0.07 0.00 0.00 0.00 0.00 174.94 174.27 2k2j s ALA 36 N 3.00 0.84 -1.26 9.38 0.00 0.11 -4.37 121.76 129.45 2k2j s ALA 36 Ca 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2k2j s ALA 36 Cb -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2k2j s ALA 36 CO 0.17 0.04 1.05 -0.25 0.00 0.00 0.00 175.76 176.77 2k2j n ASP 37 N 3.90 -3.50 -0.62 0.00 9.92 -1.26 -1.45 116.55 123.54 2k2j n ASP 37 Ca -0.24 -0.61 -0.08 0.00 -0.53 0.00 0.00 54.79 53.33 2k2j n ASP 37 Cb 0.51 -5.03 -0.03 0.00 -0.64 0.00 0.00 41.12 35.93 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 -4.44 -0.12 -2.36 2.24 0.00 -1.26 -4.95 120.51 109.61 2k2j n ALA 38 Ca -0.18 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 2k2j n ALA 38 Cb 0.63 -1.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.61 1.73 -0.27 0.00 1.02 -0.53 -4.36 119.74 114.71 2k2j s LYS 39 Ca 0.00 -1.16 -0.07 0.00 0.02 0.00 0.00 55.97 54.76 2k2j s LYS 39 Cb 0.00 -1.97 -0.00 0.00 -0.52 0.00 0.00 37.83 35.34 2k2j s LYS 39 CO 0.00 0.50 0.07 -1.17 -0.92 0.00 0.00 175.35 173.83 2k2j s LEU 40 N -1.42 3.63 -0.21 3.17 2.96 -0.97 0.06 118.68 125.89 2k2j s LEU 40 Ca 0.12 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2k2j s LEU 40 Cb -0.10 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2k2j s LEU 40 CO 0.03 -0.13 -0.06 -0.94 -1.32 0.00 0.00 176.35 173.93 2k2j s SER 41 N 1.54 4.19 -0.16 3.68 1.04 -1.00 -0.39 113.70 122.59 2k2j s SER 41 Ca 0.04 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2k2j s SER 41 Cb -0.16 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 2k2j s SER 41 CO 0.02 -0.01 0.02 0.72 0.98 0.00 0.00 173.24 174.97 2k2j s PHE 42 N 1.42 3.17 0.52 5.02 -0.71 -0.54 -2.52 117.98 124.34 2k2j s PHE 42 Ca 0.05 -0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 55.85 2k2j s PHE 42 Cb -0.14 -2.01 -0.01 0.00 -1.21 0.00 0.00 43.02 39.64 2k2j s PHE 42 CO -0.04 0.12 0.81 -1.54 -1.34 0.00 0.00 175.22 173.23 2k2j s SER 43 N 0.24 5.95 0.95 1.98 1.04 -1.00 -0.39 113.70 122.47 2k2j s SER 43 Ca 0.01 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 2k2j s SER 43 Cb -0.13 -1.95 0.16 0.00 0.10 0.00 0.00 66.02 64.20 2k2j s SER 43 CO 0.01 -0.78 1.09 -0.62 0.98 0.00 0.00 173.24 173.93 2k2j s ASP 44 N -4.20 2.98 0.09 7.02 2.15 -1.26 -4.20 116.67 119.26 2k2j s ASP 44 Ca 0.50 1.53 -0.35 0.00 0.43 0.00 0.00 52.55 54.65 2k2j s ASP 44 Cb -0.10 -2.19 -0.18 0.00 -0.30 0.00 0.00 42.92 40.14 2k2j s ASP 44 CO 0.44 -2.95 0.99 0.47 -0.17 0.00 0.00 175.17 173.94 2k2j n ASP 45 N -4.09 0.15 -0.10 -0.34 9.92 -1.26 -4.69 116.55 116.13 2k2j n ASP 45 Ca 0.07 1.15 -0.14 0.00 -0.53 0.00 0.00 54.79 55.33 2k2j n ASP 45 Cb 0.55 -1.02 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2k2j n ILE 46 N 1.23 1.47 0.00 0.53 -5.35 -1.25 -4.56 119.36 111.44 2k2j n ILE 46 Ca 0.18 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2k2j n ILE 46 Cb 0.17 -1.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 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 -3.04 2.40 -0.27 6.28 0.28 -1.26 -4.73 120.64 120.30 2k2j n GLU 47 Ca -0.38 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.64 2k2j n GLU 47 Cb 1.07 -0.76 0.12 0.00 1.43 0.00 0.00 31.44 33.30 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 -1.09 2.16 -1.66 3.44 1.13 -1.26 -4.94 117.38 115.15 2k2j n GLN 48 Ca 0.00 -0.96 -0.41 0.00 -1.94 0.00 0.00 57.00 53.69 2k2j n GLN 48 Cb 0.16 -1.70 0.01 0.00 0.11 0.00 0.00 30.24 28.82 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 0.19 2.43 -1.31 5.09 -2.24 -1.26 -4.92 114.28 112.26 2k2j n THR 49 Ca 0.08 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 2k2j n THR 49 Cb 0.52 -1.38 0.06 0.00 -2.10 0.00 0.00 70.33 67.42 2k2j n THR 49 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2k2j n MET 50 N 0.17 0.84 -0.55 -0.78 2.81 -1.26 -5.09 117.12 113.27 2k2j n MET 50 Ca 0.08 -1.64 -0.28 0.00 -1.81 0.00 0.00 57.70 54.04 2k2j n MET 50 Cb 0.38 -0.96 0.26 0.00 -0.71 0.00 0.00 33.22 32.20 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 -1.27 -1.10 -0.00 0.03 2.02 -1.26 -5.01 118.70 112.10 2k2j s GLU 51 Ca 0.13 0.77 -0.00 0.00 0.02 0.00 0.00 54.97 55.89 2k2j s GLU 51 Cb 0.11 -1.54 -0.00 0.00 0.10 0.00 0.00 34.13 32.81 2k2j s GLU 51 CO 0.01 -3.83 0.05 1.49 0.02 0.00 0.00 175.26 173.00 2k2j h GLU 52 N -2.70 -0.00 0.00 1.61 4.81 -2.04 -3.41 114.58 112.85 2k2j h GLU 52 Ca -0.62 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2k2j h GLU 52 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2k2j h GLU 52 CO 0.51 -0.00 -0.34 -0.25 -0.73 0.00 0.00 179.01 178.20 2k2j n ASP 53 N -2.03 1.90 -3.93 1.04 8.00 -1.26 -5.01 116.55 115.26 2k2j n ASP 53 Ca -0.00 -3.54 -0.36 0.00 0.71 0.00 0.00 54.79 51.60 2k2j n ASP 53 Cb 0.00 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.63 2k2j n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2k2j n ASN 54 N -1.18 -4.53 0.45 -2.24 6.94 -1.26 -4.90 115.26 108.54 2k2j n ASN 54 Ca 0.17 -1.13 -0.18 0.00 -0.02 0.00 0.00 54.58 53.42 2k2j n ASN 54 Cb 0.68 -1.74 -0.09 0.00 -2.36 0.00 0.00 39.78 36.28 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 2k2j h PRO 55 N -1.52 -1.12 -2.86 -0.53 0.11 -1.98 -3.44 132.00 120.66 2k2j h PRO 55 Ca -0.67 0.08 -0.21 0.00 0.11 0.00 0.00 66.00 65.31 2k2j h PRO 55 Cb 1.40 0.25 -0.32 0.00 0.11 0.00 0.00 31.00 32.45 2k2j h PRO 55 CO 0.45 -0.75 -0.52 -1.17 -0.21 0.00 0.00 178.00 175.80 2k2j s LEU 56 N -9.78 -0.25 -0.19 2.35 2.96 -1.26 -5.04 118.68 107.47 2k2j s LEU 56 Ca -0.17 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2k2j s LEU 56 Cb 0.02 0.74 -0.22 0.00 0.50 0.00 0.00 46.19 47.23 2k2j s LEU 56 CO 0.51 -0.23 0.08 0.61 -1.32 0.00 0.00 176.35 176.00 2k2j n GLY 57 N 5.24 -0.48 7.00 7.98 0.00 -1.26 -5.07 105.19 118.60 2k2j n GLY 57 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.36 -2.43 -4.28 1.61 3.41 -1.26 -4.83 113.62 102.48 2k2j n SER 58 Ca -0.38 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.07 2k2j n SER 58 Cb 1.02 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.87 2k2j n SER 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2k2j s LEU 59 N 0.00 1.83 -0.35 1.04 2.96 -1.26 -4.81 118.68 118.09 2k2j s LEU 59 Ca 0.00 -1.29 -0.05 0.00 -0.22 0.00 0.00 54.13 52.57 2k2j s LEU 59 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.69 2k2j s LEU 59 CO 0.00 -0.66 0.19 0.00 -1.32 0.00 0.00 176.35 174.55 2k2j h ARG 61 N 2.74 0.00 -2.34 0.00 9.65 -1.00 -3.47 114.38 119.95 2k2j h ARG 61 Ca -0.00 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 2k2j h ARG 61 Cb 0.31 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.75 2k2j h ARG 61 CO 0.13 0.85 0.47 0.20 2.80 0.00 0.00 179.97 184.42 2k2j s GLY 62 N -4.69 -0.45 -0.01 2.80 0.00 -0.96 -5.01 107.32 99.00 2k2j s GLY 62 Ca 0.01 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2k2j s GLY 62 CO 0.81 0.29 0.01 -0.42 0.00 0.00 0.00 173.10 173.78 2k2j s ILE 63 N -3.19 0.00 -0.40 0.90 1.01 -1.26 -1.47 121.20 116.80 2k2j s ILE 63 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2k2j s ILE 63 Cb -0.01 -0.06 0.04 0.00 0.01 0.00 0.00 42.46 42.43 2k2j s ILE 63 CO -0.08 0.05 0.26 -0.76 0.00 0.00 0.00 174.94 174.40 2k2j s LEU 64 N 0.45 4.96 0.53 2.97 2.01 0.47 -4.93 118.68 125.14 2k2j s LEU 64 Ca -0.04 -1.07 0.33 0.00 0.01 0.00 0.00 54.13 53.37 2k2j s LEU 64 Cb -0.06 -2.07 1.49 0.00 0.01 0.00 0.00 46.19 45.56 2k2j s LEU 64 CO -0.01 -0.45 1.83 0.44 1.01 0.00 0.00 176.35 179.17 2k2j h ASP 65 N 8.51 0.04 0.00 2.29 3.32 -1.88 -2.58 116.42 126.12 2k2j h ASP 65 Ca -0.26 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.80 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 0.72 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 178.42 2k2j n LEU 66 N -4.25 0.90 0.00 1.55 4.77 -1.26 -4.49 117.00 114.21 2k2j n LEU 66 Ca 0.23 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 2k2j n LEU 66 Cb 1.12 -1.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2k2j n LEU 66 CO 0.39 -0.66 -0.15 0.59 -1.33 0.00 0.00 177.39 176.22 2k2j n ASN 67 N -0.43 0.72 -3.16 -1.43 4.13 -1.26 -3.87 115.26 109.96 2k2j n ASN 67 Ca 0.00 -0.64 -0.19 0.00 1.68 0.00 0.00 54.58 55.43 2k2j n ASN 67 Cb 0.21 1.12 -0.03 0.00 -1.54 0.00 0.00 39.78 39.54 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2k2j n THR 68 N -1.72 -0.29 -4.02 3.41 -2.24 -1.26 -5.03 114.28 103.13 2k2j n THR 68 Ca 0.02 -4.26 -0.10 0.00 -2.27 0.00 0.00 64.05 57.44 2k2j n THR 68 Cb 0.39 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.95 0.51 -0.03 4.78 2.02 -1.26 -0.30 117.35 121.13 2k2j s TYR 69 Ca 0.38 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 2k2j s TYR 69 Cb 0.30 0.12 0.03 0.00 -0.40 0.00 0.00 41.96 42.01 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 -3.06 0.33 -0.11 2.29 0.01 0.66 -4.79 114.94 110.26 2k2j s ASN 70 Ca 0.25 -0.02 -0.13 0.00 -0.71 0.00 0.00 52.86 52.25 2k2j s ASN 70 Cb -0.00 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.43 2k2j s ASN 70 CO 0.11 -0.10 0.29 -0.69 -1.51 0.00 0.00 177.10 175.21 2k2j s VAL 71 N 0.94 5.27 -0.05 1.60 1.01 -1.26 -0.19 120.40 127.71 2k2j s VAL 71 Ca -0.09 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2k2j s VAL 71 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2k2j s VAL 71 CO -0.02 0.48 0.03 0.68 0.00 0.00 0.00 175.10 176.28 2k2j s VAL 72 N -0.23 0.13 -0.57 2.92 -7.23 -0.69 -4.98 120.40 109.75 2k2j s VAL 72 Ca 0.18 0.26 -0.28 0.00 -1.81 0.00 0.00 61.98 60.34 2k2j s VAL 72 Cb -0.14 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.48 2k2j s VAL 72 CO 0.06 0.22 1.43 -0.75 -0.31 0.00 0.00 175.10 175.75 2k2j s LYS 73 N 2.00 3.26 -0.16 4.82 2.20 -1.26 -1.28 119.74 129.33 2k2j s LYS 73 Ca 0.04 0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.78 2k2j s LYS 73 Cb -0.12 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 2k2j s LYS 73 CO -0.04 -1.99 1.30 0.00 -0.36 0.00 0.00 175.35 174.27 2k2j s ALA 74 N 6.18 3.65 -0.06 3.13 0.00 0.36 -4.95 121.76 130.07 2k2j s ALA 74 Ca 0.52 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 2k2j s ALA 74 Cb -0.11 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 2k2j s ALA 74 CO 0.24 -1.21 -0.01 -1.00 0.00 0.00 0.00 175.76 173.78 2k2j h PRO 75 N 8.37 0.00 0.00 0.00 0.13 -1.82 -2.96 132.00 135.72 2k2j h PRO 75 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k2j h PRO 75 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k2j h PRO 75 CO 0.97 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.78 2k2j n GLN 76 N -3.75 0.02 -0.08 0.86 6.02 -1.26 -4.65 117.38 114.54 2k2j n GLN 76 Ca -0.00 0.52 0.01 0.00 -0.01 0.00 0.00 57.00 57.51 2k2j n GLN 76 Cb 0.01 -1.57 -0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.45 -1.37 3.03 1.08 0.00 -1.15 -4.78 105.19 100.54 2k2j n GLY 77 Ca -0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.16 0.37 1.05 1.61 1.02 -1.20 -4.96 119.74 116.47 2k2j s LYS 78 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2k2j s LYS 78 Cb 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 2k2j s LYS 78 CO 0.00 -0.07 0.00 0.09 -0.92 0.00 0.00 175.35 174.45 2k2j n ASN 79 N 1.56 0.00 -0.18 2.83 3.02 -1.26 -1.24 115.26 119.98 2k2j n ASN 79 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2k2j n ASN 79 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2j n GLN 80 N 0.00 0.00 -3.43 3.52 6.02 -1.26 -5.12 117.38 117.12 2k2j n GLN 80 Ca 0.00 -0.45 -0.19 0.00 -0.01 0.00 0.00 57.00 56.34 2k2j n GLN 80 Cb 0.00 -0.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.92 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 2.90 -0.13 -1.09 -0.14 -0.38 -5.07 119.74 115.84 2k2j s LYS 81 Ca 0.00 -1.18 -0.11 0.00 -1.36 0.00 0.00 55.97 53.31 2k2j s LYS 81 Cb 0.00 -2.69 -0.06 0.00 -1.68 0.00 0.00 37.83 33.40 2k2j s LYS 81 CO 0.00 -0.05 -0.25 0.43 -0.76 0.00 0.00 175.35 174.73 2k2j n SER 82 N -1.63 1.56 -4.43 2.83 7.64 -1.26 -3.26 113.62 115.06 2k2j n SER 82 Ca 0.02 0.26 -0.44 0.00 1.01 0.00 0.00 58.87 59.72 2k2j n SER 82 Cb 0.59 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.52 3.09 0.13 1.43 0.08 -1.26 -2.95 117.98 115.97 2k2j s PHE 83 Ca -0.23 -0.64 0.07 0.00 0.12 0.00 0.00 56.93 56.25 2k2j s PHE 83 Cb 0.06 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2k2j s PHE 83 CO 0.31 -1.00 -0.16 0.08 -0.10 0.00 0.00 175.22 174.35 2k2j s VAL 84 N 2.43 1.52 -0.05 -0.44 1.01 -1.12 -4.00 120.40 119.76 2k2j s VAL 84 Ca 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.37 2k2j s VAL 84 Cb -0.20 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2k2j s VAL 84 CO 0.11 -0.33 -0.02 -0.36 0.00 0.00 0.00 175.10 174.50 2k2j s PHE 85 N -1.94 0.67 -0.10 5.22 0.40 -0.87 0.13 117.98 121.49 2k2j s PHE 85 Ca 0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2k2j s PHE 85 Cb -0.06 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 2k2j s PHE 85 CO 0.04 -0.24 -0.01 0.42 0.70 0.00 0.00 175.22 176.14 2k2j s ILE 86 N 1.32 4.19 -0.21 0.64 1.01 -0.40 -1.22 121.20 126.53 2k2j s ILE 86 Ca -0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 2k2j s ILE 86 Cb -0.13 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2k2j s ILE 86 CO -0.02 0.58 0.16 -0.76 0.00 0.00 0.00 174.94 174.90 2k2j s LEU 87 N -0.62 4.18 -0.32 2.97 1.43 -0.08 -1.70 118.68 124.54 2k2j s LEU 87 Ca 0.10 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2k2j s LEU 87 Cb -0.12 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 44.03 2k2j s LEU 87 CO 0.02 0.13 0.03 -1.61 0.23 0.00 0.00 176.35 175.15 2k2j s GLU 88 N 0.62 2.34 0.64 1.70 2.02 0.73 -2.42 118.70 124.32 2k2j s GLU 88 Ca 0.09 -1.37 -0.18 0.00 0.02 0.00 0.00 54.97 53.54 2k2j s GLU 88 Cb -0.12 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 2k2j s GLU 88 CO 0.01 -0.70 0.99 -0.35 0.02 0.00 0.00 175.26 175.23 2k2j n PRO 89 N 4.61 0.82 -0.01 0.39 -0.04 -1.26 -0.25 135.00 139.26 2k2j n PRO 89 Ca -0.11 0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2k2j n PRO 89 Cb 0.43 -2.21 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 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 -1.29 0.56 0.35 0.54 5.02 0.59 -4.75 118.16 119.19 2k2j n LYS 90 Ca 0.14 -0.96 -0.14 0.00 -2.02 0.00 0.00 58.31 55.33 2k2j n LYS 90 Cb 0.48 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.41 -0.89 0.00 1.97 4.20 -1.93 -3.49 115.11 115.38 2k2j h GLN 91 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2k2j h GLN 91 Cb 0.24 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2k2j h GLN 91 CO 0.00 -0.59 0.00 0.00 -0.67 0.00 0.00 178.83 177.57 2k2j n GLN 92 N -5.07 0.00 -0.25 1.46 10.64 -1.26 -5.00 117.38 117.89 2k2j n GLN 92 Ca -0.11 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.14 2k2j n GLN 92 Cb 0.36 0.00 0.13 0.00 -0.86 0.00 0.00 30.24 29.88 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 4.36 3.50 2.61 0.00 -1.26 -5.07 105.19 109.34 2k2j n GLY 93 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.17 -1.14 -4.85 1.61 9.92 -1.26 -4.98 116.55 114.67 2k2j n ASP 94 Ca 0.15 0.42 -0.32 0.00 -0.53 0.00 0.00 54.79 54.51 2k2j n ASP 94 Cb 0.67 -1.29 -0.04 0.00 -0.64 0.00 0.00 41.12 39.82 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 -3.72 3.93 0.66 -0.24 0.04 -1.26 -4.71 135.00 129.70 2k2j s PRO 95 Ca 0.62 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 2k2j s PRO 95 Cb -0.25 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.11 2k2j s PRO 95 CO 0.62 -0.16 0.97 -1.25 0.04 0.00 0.00 177.00 177.22 2k2j s PRO 96 N -3.88 2.45 -0.03 0.56 0.04 -1.26 -4.60 135.00 128.29 2k2j s PRO 96 Ca 0.57 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.44 2k2j s PRO 96 Cb -0.10 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2k2j s PRO 96 CO 0.29 -1.05 -0.04 0.08 0.04 0.00 0.00 177.00 176.32 2k2j s VAL 97 N -3.15 0.45 -0.10 -0.36 1.01 -1.02 -4.96 120.40 112.27 2k2j s VAL 97 Ca 0.58 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2k2j s VAL 97 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2k2j s VAL 97 CO 0.45 0.18 0.12 -1.61 0.00 0.00 0.00 175.10 174.24 2k2j s GLU 98 N 0.51 3.37 0.16 2.72 8.01 -1.26 -0.90 118.70 131.31 2k2j s GLU 98 Ca -0.06 -0.19 0.06 0.00 0.01 0.00 0.00 54.97 54.79 2k2j s GLU 98 Cb -0.10 -3.12 -0.04 0.00 -4.31 0.00 0.00 34.13 26.56 2k2j s GLU 98 CO -0.00 0.76 -0.13 -0.06 0.01 0.00 0.00 175.26 175.84 2k2j s PHE 99 N -1.04 1.45 0.02 1.61 0.40 -0.35 -2.13 117.98 117.94 2k2j s PHE 99 Ca 0.16 -0.64 -0.27 0.00 -0.60 0.00 0.00 56.93 55.58 2k2j s PHE 99 Cb -0.12 -0.72 0.07 0.00 0.51 0.00 0.00 43.02 42.76 2k2j s PHE 99 CO 0.05 0.19 0.62 0.00 0.70 0.00 0.00 175.22 176.78 2k2j s ALA 100 N -2.86 -1.62 0.00 5.36 0.00 -0.81 -2.06 121.76 119.78 2k2j s ALA 100 Ca 0.16 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2k2j s ALA 100 Cb -0.01 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2k2j s ALA 100 CO 0.03 -0.49 0.00 0.25 0.00 0.00 0.00 175.76 175.56 2k2j n THR 101 N 0.52 0.00 0.00 0.00 -2.24 -1.26 -2.81 114.28 108.50 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 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2k2j n THR 101 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k2j n ASP 102 N -1.11 0.29 -4.19 3.42 2.03 -1.26 -4.93 116.55 110.79 2k2j n ASP 102 Ca 0.00 -0.45 -0.12 0.00 0.52 0.00 0.00 54.79 54.74 2k2j n ASP 102 Cb 0.00 0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 41.27 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k2j s ARG 103 N -1.03 1.07 0.13 -0.67 0.52 -1.26 -5.06 118.95 112.66 2k2j s ARG 103 Ca 0.00 -1.53 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 2k2j s ARG 103 Cb 0.00 0.11 -0.12 0.00 0.52 0.00 0.00 34.95 35.46 2k2j s ARG 103 CO 0.00 -0.27 1.30 -0.39 0.02 0.00 0.00 175.30 175.96 2k2j h VAL 104 N 2.73 1.55 -0.03 3.52 -1.51 -1.99 -2.89 116.25 117.64 2k2j h VAL 104 Ca -0.36 -2.93 -0.01 0.00 -1.23 0.00 0.00 66.70 62.17 2k2j h VAL 104 Cb 1.22 2.68 -0.00 0.00 -2.13 0.00 0.00 31.29 33.06 2k2j h VAL 104 CO 0.59 0.85 -0.02 1.05 -1.23 0.00 0.00 177.57 178.80 2k2j h GLU 105 N 0.07 0.06 0.00 5.19 4.11 -1.99 -2.41 114.58 119.60 2k2j h GLU 105 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2k2j h GLU 105 Cb 1.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 2k2j h GLU 105 CO 0.15 0.51 -0.14 0.93 0.07 0.00 0.00 179.01 180.53 2k2j h GLU 106 N -0.39 0.00 0.44 1.06 4.39 -1.99 -0.57 114.58 117.51 2k2j h GLU 106 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k2j h GLU 106 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2k2j h GLU 106 CO 0.01 0.14 -0.21 1.25 -1.16 0.00 0.00 179.01 179.03 2k2j h LEU 107 N 0.00 -0.50 -1.46 1.33 5.85 -1.40 -1.68 115.31 117.45 2k2j h LEU 107 Ca -0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2k2j h LEU 107 Cb 0.27 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2k2j h LEU 107 CO 0.02 -0.11 -0.26 0.15 -0.34 0.00 0.00 178.44 177.89 2k2j h PHE 108 N -0.94 0.00 0.27 1.25 3.57 -1.29 -1.18 116.94 118.62 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k2j h PHE 108 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2k2j h PHE 108 CO 0.02 0.26 -0.13 1.49 -2.23 0.00 0.00 178.31 177.72 2k2j h GLU 109 N 0.00 -0.35 -0.04 1.11 4.57 -1.09 -2.44 114.58 116.33 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 0.55 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k2j h GLU 109 CO 0.03 -0.12 -0.01 -1.49 -1.18 0.00 0.00 179.01 176.24 2k2j h TRP 110 N -1.04 0.09 -0.52 0.92 4.06 -1.34 -2.86 115.95 115.26 2k2j h TRP 110 Ca -0.04 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.80 2k2j h TRP 110 Cb 0.40 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 2k2j h TRP 110 CO 0.03 0.44 -0.02 0.74 -3.56 0.00 0.00 178.44 176.06 2k2j h PHE 111 N -0.28 1.02 -0.63 0.49 0.04 -1.39 -1.64 116.94 114.55 2k2j h PHE 111 Ca 0.01 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.61 2k2j h PHE 111 Cb 0.41 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2k2j h PHE 111 CO 0.06 0.95 0.42 0.37 -0.60 0.00 0.00 178.31 179.50 2k2j h GLN 112 N 0.80 0.81 -0.36 1.51 -0.00 -1.50 -0.35 115.11 116.02 2k2j h GLN 112 Ca 0.14 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.68 2k2j h GLN 112 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 2k2j h GLN 112 CO 0.03 0.54 -0.02 1.03 0.00 0.00 0.00 178.83 180.41 2k2j h SER 113 N 0.83 0.64 -0.42 -0.69 0.87 -1.23 0.20 113.55 113.75 2k2j h SER 113 Ca 0.23 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2k2j h SER 113 Cb -0.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 2k2j h SER 113 CO -0.05 0.81 0.28 0.40 -0.53 0.00 0.00 176.83 177.74 2k2j h ILE 114 N 0.46 1.01 0.00 2.23 2.04 -0.35 0.75 117.51 123.65 2k2j h ILE 114 Ca 0.10 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 2k2j h ILE 114 Cb 0.49 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2k2j h ILE 114 CO 0.02 0.08 -0.82 0.03 0.00 0.00 0.00 178.15 177.46 2k2j h ARG 115 N 0.41 0.00 0.00 2.37 3.08 -0.57 -2.38 114.38 117.29 2k2j h ARG 115 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2k2j h ARG 115 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2k2j h ARG 115 CO -0.04 0.82 0.00 0.93 -1.07 0.00 0.00 179.97 180.61 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 5.08 0.19 0.56 114.58 120.44 2k2j h GLU 116 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2k2j h GLU 116 Cb 1.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2k2j h GLU 116 CO 0.11 0.00 -1.85 -0.89 -1.00 0.00 0.00 179.01 175.38 2k2j n ILE 117 N -2.88 0.85 -0.07 3.13 5.41 -1.09 -4.31 119.36 120.40 2k2j n ILE 117 Ca -0.02 -0.51 -0.08 0.00 1.00 0.00 0.00 62.75 63.15 2k2j n ILE 117 Cb 0.13 -0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 38.33 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 1.36 0.32 1.39 -2.24 -0.90 -4.50 114.28 107.21 2k2j n THR 118 Ca -0.21 0.18 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 2k2j n THR 118 Cb 0.89 -2.23 1.08 0.00 -2.10 0.00 0.00 70.33 67.97 2k2j n THR 118 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k2j h TRP 119 N -0.86 0.00 -2.63 4.78 2.91 -0.33 -3.43 115.95 116.40 2k2j h TRP 119 Ca 0.00 0.00 -0.50 0.00 1.13 0.00 0.00 58.89 59.52 2k2j h TRP 119 Cb 0.86 0.00 -0.14 0.00 -0.51 0.00 0.00 29.16 29.37 2k2j h TRP 119 CO -0.37 0.01 -0.70 0.15 -1.03 0.00 0.00 178.44 176.50 2k2j s LYS 120 N -4.18 1.51 -0.24 2.65 1.02 0.13 -4.97 119.74 115.65 2k2j s LYS 120 Ca -0.04 -1.73 -0.02 0.00 0.02 0.00 0.00 55.97 54.20 2k2j s LYS 120 Cb 0.13 -1.23 0.07 0.00 -0.52 0.00 0.00 37.83 36.28 2k2j s LYS 120 CO 0.46 0.12 0.05 0.42 -0.92 0.00 0.00 175.35 175.47 2k2j s ILE 121 N -2.93 0.78 -0.16 2.17 1.01 -1.26 -4.27 121.20 116.54 2k2j s ILE 121 Ca 0.28 -0.94 0.18 0.00 0.00 0.00 0.00 60.65 60.16 2k2j s ILE 121 Cb 0.01 -1.36 0.37 0.00 0.01 0.00 0.00 42.46 41.49 2k2j s ILE 121 CO 0.11 -0.36 1.24 0.47 0.00 0.00 0.00 174.94 176.40 2k2j n ASP 122 N 4.93 2.89 -3.87 3.58 9.92 -1.26 -5.00 116.55 127.73 2k2j n ASP 122 Ca -0.07 -3.02 -0.11 0.00 -0.53 0.00 0.00 54.79 51.06 2k2j n ASP 122 Cb 0.45 -0.46 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 2k2j n ASP 122 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k2j s THR 123 N -2.78 0.05 0.00 -3.53 -1.32 -1.26 -5.23 115.64 101.57 2k2j s THR 123 Ca 0.35 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2k2j s THR 123 Cb 0.29 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 71.00 2k2j s THR 123 CO 0.05 -0.23 0.00 1.17 -2.21 0.00 0.00 174.62 173.40