#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 0.48 -0.03 1.97 -2.85 -1.26 -5.16 119.74 112.89 2k2j s LYS 9 Ca 0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 55.97 55.03 2k2j s LYS 9 Cb 0.00 0.22 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2k2j s LYS 9 CO 0.00 -0.10 0.06 0.34 0.10 0.00 0.00 175.35 175.74 2k2j s ASP 10 N -0.62 0.14 -0.07 0.03 -1.08 -1.26 -5.14 116.67 108.66 2k2j s ASP 10 Ca -0.07 0.10 -0.14 0.00 -0.52 0.00 0.00 52.55 51.91 2k2j s ASP 10 Cb -0.04 -0.02 -0.05 0.00 -1.46 0.00 0.00 42.92 41.35 2k2j s ASP 10 CO 0.02 -0.15 0.36 -1.61 0.52 0.00 0.00 175.17 174.32 2k2j s GLU 11 N 1.22 4.02 -0.05 4.34 2.02 -1.26 -5.08 118.70 123.90 2k2j s GLU 11 Ca -0.08 0.29 -0.26 0.00 0.02 0.00 0.00 54.97 54.94 2k2j s GLU 11 Cb -0.13 -3.30 0.06 0.00 0.10 0.00 0.00 34.13 30.86 2k2j s GLU 11 CO -0.04 0.51 0.57 -1.58 0.02 0.00 0.00 175.26 174.74 2k2j s HIS 12 N -0.43 -0.52 0.30 1.61 2.46 -1.26 -5.14 115.29 112.31 2k2j s HIS 12 Ca 0.21 0.92 -0.30 0.00 0.47 0.00 0.00 55.06 56.36 2k2j s HIS 12 Cb -0.15 0.31 -0.12 0.00 -0.13 0.00 0.00 32.58 32.49 2k2j s HIS 12 CO 0.10 -0.53 1.52 1.63 -2.47 0.00 0.00 174.74 174.99 2k2j n LYS 13 N 1.15 2.54 -3.26 2.88 5.02 -1.26 -4.95 118.16 120.28 2k2j n LYS 13 Ca -0.19 0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 56.56 2k2j n LYS 13 Cb 0.57 -2.64 -0.08 0.00 -0.02 0.00 0.00 35.03 32.86 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 -0.89 3.13 0.03 1.97 2.00 -1.26 -5.04 119.66 119.60 2k2j s GLN 14 Ca 0.62 -0.72 0.03 0.00 -2.00 0.00 0.00 55.36 53.30 2k2j s GLN 14 Cb -0.52 -3.99 -0.02 0.00 0.80 0.00 0.00 33.01 29.28 2k2j s GLN 14 CO 0.53 -0.94 -0.09 -0.65 -0.50 0.00 0.00 175.29 173.63 2k2j s GLN 15 N 2.32 0.63 0.00 1.67 -0.21 -1.26 -2.54 119.66 120.27 2k2j s GLN 15 Ca 0.14 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.87 2k2j s GLN 15 Cb -0.17 -0.52 0.00 0.00 1.00 0.00 0.00 33.01 33.32 2k2j s GLN 15 CO 0.14 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 2k2j n GLY 16 N 1.86 -0.82 3.42 3.09 0.00 -0.90 -5.01 105.19 106.83 2k2j n GLY 16 Ca -0.19 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.71 1.51 0.31 1.61 8.01 -1.26 -1.01 118.70 127.17 2k2j s GLU 17 Ca 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 54.97 53.44 2k2j s GLU 17 Cb 0.00 -1.87 -0.00 0.00 -4.31 0.00 0.00 34.13 27.95 2k2j s GLU 17 CO 0.00 0.41 0.45 -0.51 0.01 0.00 0.00 175.26 175.62 2k2j s LEU 18 N -2.56 0.83 -0.03 1.80 1.43 -0.51 -4.85 118.68 114.80 2k2j s LEU 18 Ca 0.20 -1.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.01 2k2j s LEU 18 Cb -0.08 1.48 -0.01 0.00 0.03 0.00 0.00 46.19 47.61 2k2j s LEU 18 CO 0.09 -1.23 -0.19 -0.31 0.23 0.00 0.00 176.35 174.94 2k2j s TYR 19 N -3.36 1.75 -0.02 0.29 1.51 -1.18 -1.65 117.35 114.71 2k2j s TYR 19 Ca 0.29 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2k2j s TYR 19 Cb 0.00 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.71 2k2j s TYR 19 CO 0.17 -0.08 -0.08 -1.64 -1.11 0.00 0.00 175.55 172.81 2k2j s MET 20 N -0.29 0.77 0.08 -0.62 -1.94 -1.26 -1.77 119.30 114.28 2k2j s MET 20 Ca 0.03 -0.27 -0.33 0.00 -1.71 0.00 0.00 55.69 53.42 2k2j s MET 20 Cb -0.09 -0.74 -0.12 0.00 2.01 0.00 0.00 34.83 35.89 2k2j s MET 20 CO 0.00 0.12 1.77 1.87 -0.01 0.00 0.00 175.02 178.77 2k2j n TRP 21 N 3.17 2.45 -3.91 -0.03 -0.00 -0.84 -4.26 117.44 114.01 2k2j n TRP 21 Ca -0.16 0.02 -0.33 0.00 -0.00 0.00 0.00 57.50 57.02 2k2j n TRP 21 Cb 0.55 -2.66 -0.13 0.00 -0.00 0.00 0.00 31.31 29.07 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 2.48 4.94 0.00 5.87 1.01 -0.96 -4.84 116.67 125.17 2k2j s ASP 22 Ca 0.84 -2.19 0.18 0.00 0.71 0.00 0.00 52.55 52.08 2k2j s ASP 22 Cb -0.60 -1.71 0.87 0.00 1.01 0.00 0.00 42.92 42.49 2k2j s ASP 22 CO 0.41 -0.43 1.53 -1.54 0.21 0.00 0.00 175.17 175.35 2k2j n SER 23 N 4.28 0.00 -0.17 0.27 3.41 -1.26 0.87 113.62 121.02 2k2j n SER 23 Ca 0.02 0.11 -0.10 0.00 -0.26 0.00 0.00 58.87 58.64 2k2j n SER 23 Cb 0.41 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.26 0.00 -1.33 5.03 -1.95 -3.28 117.51 117.24 2k2j h ILE 24 Ca 0.00 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 2k2j h ILE 24 Cb 0.19 0.97 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 2k2j h ILE 24 CO 0.00 0.37 0.00 0.47 -0.68 0.00 0.00 178.15 178.31 2k2j n ASP 25 N -4.35 1.03 -3.43 1.72 9.92 -1.13 -5.04 116.55 115.28 2k2j n ASP 25 Ca 0.01 -1.21 -0.12 0.00 -0.53 0.00 0.00 54.79 52.94 2k2j n ASP 25 Cb 0.30 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 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 -0.10 -1.43 -3.86 -1.24 6.02 0.25 -4.99 117.38 112.03 2k2j n GLN 26 Ca 0.00 1.13 -0.04 0.00 -0.01 0.00 0.00 57.00 58.08 2k2j n GLN 26 Cb 0.11 -4.03 0.01 0.00 1.02 0.00 0.00 30.24 27.34 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2k2j s LYS 27 N -3.98 1.36 -0.28 -1.09 -2.85 -0.96 -5.01 119.74 106.94 2k2j s LYS 27 Ca 0.00 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 2k2j s LYS 27 Cb -0.00 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 2k2j s LYS 27 CO 0.82 -0.64 0.05 -1.58 0.10 0.00 0.00 175.35 174.11 2k2j s TRP 28 N -2.34 3.12 0.39 1.78 0.52 -1.26 -2.27 118.94 118.87 2k2j s TRP 28 Ca 0.20 -1.02 0.08 0.00 0.02 0.00 0.00 56.10 55.37 2k2j s TRP 28 Cb -0.03 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2k2j s TRP 28 CO 0.05 -0.58 0.37 0.95 0.02 0.00 0.00 176.95 177.76 2k2j s THR 29 N 1.48 2.97 -0.19 2.01 -4.23 -1.26 -5.01 115.64 111.40 2k2j s THR 29 Ca 0.03 -1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.06 2k2j s THR 29 Cb -0.17 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 2k2j s THR 29 CO 0.01 -0.06 0.38 -0.60 -0.54 0.00 0.00 174.62 173.81 2k2j s ARG 30 N -4.11 4.19 0.04 3.99 3.52 -1.26 -4.10 118.95 121.22 2k2j s ARG 30 Ca 0.46 0.18 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 2k2j s ARG 30 Cb -0.05 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2k2j s ARG 30 CO 0.28 0.02 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.55 2k2j s HIS 31 N 1.13 1.99 -0.76 5.12 3.76 -0.66 -3.65 115.29 122.23 2k2j s HIS 31 Ca 0.19 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 2k2j s HIS 31 Cb -0.14 -1.20 0.10 0.00 1.11 0.00 0.00 32.58 32.45 2k2j s HIS 31 CO 0.07 0.09 0.99 -0.47 -0.85 0.00 0.00 174.74 174.57 2k2j s TYR 32 N -0.77 2.91 0.43 1.40 5.04 -1.25 -1.42 117.35 123.70 2k2j s TYR 32 Ca 0.09 -0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 53.73 2k2j s TYR 32 Cb -0.09 -4.25 -0.03 0.00 0.35 0.00 0.00 41.96 37.94 2k2j s TYR 32 CO 0.02 -1.53 0.69 0.00 -1.34 0.00 0.00 175.55 173.38 2k2j s ALA 34 N -2.58 -2.71 -0.16 0.00 0.00 -0.66 -2.11 121.76 113.54 2k2j s ALA 34 Ca 0.45 1.99 -0.21 0.00 0.00 0.00 0.00 51.96 54.19 2k2j s ALA 34 Cb -0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2k2j s ALA 34 CO 0.41 -1.03 0.63 0.42 0.00 0.00 0.00 175.76 176.19 2k2j s ILE 35 N 2.57 5.04 -0.13 0.00 1.01 -1.05 -2.08 121.20 126.57 2k2j s ILE 35 Ca -0.01 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.87 2k2j s ILE 35 Cb -0.08 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2k2j s ILE 35 CO -0.17 0.17 -0.13 0.00 0.00 0.00 0.00 174.94 174.81 2k2j s ALA 36 N 1.51 1.70 0.00 9.38 0.00 0.10 -4.49 121.76 129.96 2k2j s ALA 36 Ca 0.31 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2k2j s ALA 36 Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2k2j s ALA 36 CO 0.12 -0.32 0.00 -0.25 0.00 0.00 0.00 175.76 175.31 2k2j n ASP 37 N 4.68 0.00 -0.18 0.00 8.00 -1.26 -1.32 116.55 126.46 2k2j n ASP 37 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 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 1.57 1.37 -2.42 2.24 0.00 -1.26 -5.12 120.51 116.89 2k2j n ALA 38 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 2k2j n ALA 38 Cb 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 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 1.53 -0.18 0.00 1.02 -0.44 -4.29 119.74 117.38 2k2j s LYS 39 Ca 0.00 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.30 2k2j s LYS 39 Cb 0.00 -1.48 0.03 0.00 -0.52 0.00 0.00 37.83 35.86 2k2j s LYS 39 CO 0.00 0.26 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.38 2k2j s LEU 40 N -3.43 2.06 -0.19 3.17 2.96 -0.92 -0.72 118.68 121.61 2k2j s LEU 40 Ca 0.27 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2k2j s LEU 40 Cb -0.03 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2k2j s LEU 40 CO 0.12 -0.08 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.11 2k2j s SER 41 N 1.40 4.85 -0.10 3.68 1.04 -0.88 -0.62 113.70 123.07 2k2j s SER 41 Ca 0.02 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2k2j s SER 41 Cb -0.14 -1.82 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 2k2j s SER 41 CO -0.10 0.09 -0.13 0.72 0.98 0.00 0.00 173.24 174.81 2k2j s PHE 42 N 0.84 2.79 0.45 5.02 -0.71 -0.42 -1.66 117.98 124.28 2k2j s PHE 42 Ca 0.00 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 2k2j s PHE 42 Cb -0.14 -1.76 -0.00 0.00 -1.21 0.00 0.00 43.02 39.91 2k2j s PHE 42 CO 0.02 -0.01 0.67 0.45 -1.34 0.00 0.00 175.22 175.01 2k2j s SER 43 N -0.15 5.85 0.95 1.98 0.15 -0.57 -2.05 113.70 119.87 2k2j s SER 43 Ca -0.00 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 2k2j s SER 43 Cb -0.13 -1.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.79 2k2j s SER 43 CO 0.03 -0.69 1.09 1.51 1.20 0.00 0.00 173.24 176.38 2k2j s ASP 44 N -4.21 2.91 0.05 5.45 -4.77 -1.25 -3.75 116.67 111.10 2k2j s ASP 44 Ca 0.48 1.50 -0.37 0.00 -3.30 0.00 0.00 52.55 50.85 2k2j s ASP 44 Cb -0.10 -2.17 -0.19 0.00 -1.09 0.00 0.00 42.92 39.38 2k2j s ASP 44 CO 0.38 -2.99 1.01 0.47 0.70 0.00 0.00 175.17 174.74 2k2j n ASP 45 N -4.12 0.05 -0.88 2.11 9.92 -1.26 -4.55 116.55 117.82 2k2j n ASP 45 Ca 0.06 1.15 0.10 0.00 -0.53 0.00 0.00 54.79 55.58 2k2j n ASP 45 Cb 0.55 -0.97 0.12 0.00 -0.64 0.00 0.00 41.12 40.18 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 1.35 0.18 0.00 0.53 -5.35 -1.24 -4.50 119.36 110.33 2k2j n ILE 46 Ca 0.19 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2k2j n ILE 46 Cb 0.13 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 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 1.19 0.00 -0.94 6.28 0.28 -1.26 -4.92 120.64 121.28 2k2j n GLU 47 Ca 0.14 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.94 2k2j n GLU 47 Cb 0.52 -0.05 0.11 0.00 1.43 0.00 0.00 31.44 33.46 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 -1.01 1.98 -1.65 3.44 6.02 -1.26 -4.98 117.38 119.90 2k2j n GLN 48 Ca 0.00 -2.23 -0.46 0.00 -0.01 0.00 0.00 57.00 54.31 2k2j n GLN 48 Cb 0.00 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.36 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k2j n THR 49 N -0.60 0.91 -1.22 5.09 -2.24 -1.26 -4.90 114.28 110.06 2k2j n THR 49 Ca 0.44 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 62.04 2k2j n THR 49 Cb 1.20 -1.36 0.21 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.02 2.11 -1.56 -0.78 2.81 -1.26 -5.02 117.12 115.43 2k2j n MET 50 Ca 0.12 -2.95 -0.49 0.00 -1.81 0.00 0.00 57.70 52.57 2k2j n MET 50 Cb 0.30 -1.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.96 1.55 -0.01 0.03 1.02 -1.26 -4.85 120.64 116.15 2k2j n GLU 51 Ca 0.24 0.49 -0.16 0.00 -0.02 0.00 0.00 57.16 57.71 2k2j n GLU 51 Cb 0.87 -2.61 -0.12 0.00 -0.02 0.00 0.00 31.44 29.57 2k2j n GLU 51 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k2j h GLU 52 N 11.43 0.23 0.00 3.49 5.08 -2.01 -3.37 114.58 129.43 2k2j h GLU 52 Ca -0.37 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2k2j h GLU 52 Cb 1.29 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2k2j h GLU 52 CO 0.98 1.00 -0.08 -0.25 -1.00 0.00 0.00 179.01 179.67 2k2j n ASP 53 N -4.40 1.89 -3.15 1.42 8.00 -1.26 -5.03 116.55 114.02 2k2j n ASP 53 Ca -0.10 -2.73 -0.03 0.00 0.71 0.00 0.00 54.79 52.64 2k2j n ASP 53 Cb 0.58 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k2j n ASN 54 N -1.06 -7.45 -3.46 -2.24 3.02 -1.26 -5.02 115.26 97.79 2k2j n ASN 54 Ca 0.11 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k2j n ASN 54 Cb 0.60 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -1.88 0.54 0.51 3.52 -0.02 -1.26 -4.95 135.00 131.46 2k2j n PRO 55 Ca -0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.24 2k2j n PRO 55 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.91 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 -1.11 0.00 2.45 5.85 -2.06 -3.46 115.31 116.98 2k2j h LEU 56 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2k2j h LEU 56 Cb 0.00 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2k2j h LEU 56 CO 0.00 -0.79 0.00 0.61 -0.34 0.00 0.00 178.44 177.92 2k2j n GLY 57 N -1.65 1.95 7.00 3.75 0.00 -1.26 -4.99 105.19 109.99 2k2j n GLY 57 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 3.70 -2.81 -0.01 1.61 3.41 -1.26 -4.75 113.62 113.51 2k2j n SER 58 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2k2j n SER 58 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k2j n LEU 59 N 0.00 0.40 -4.55 1.04 -0.00 -1.26 -4.73 117.00 107.90 2k2j n LEU 59 Ca 0.00 0.07 -0.36 0.00 -0.00 0.00 0.00 56.01 55.72 2k2j n LEU 59 Cb 0.00 -0.46 -0.04 0.00 -0.00 0.00 0.00 43.42 42.92 2k2j n LEU 59 CO 0.00 -0.47 1.46 0.00 -0.00 0.00 0.00 177.39 178.38 2k2j h ARG 61 N 12.77 0.00 -1.29 0.00 9.65 -1.71 -3.48 114.38 130.33 2k2j h ARG 61 Ca -0.12 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 58.96 2k2j h ARG 61 Cb 1.09 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.42 2k2j h ARG 61 CO 1.24 0.58 0.80 0.20 2.80 0.00 0.00 179.97 185.60 2k2j s GLY 62 N -4.49 -0.09 -0.01 2.80 0.00 -1.13 -5.02 107.32 99.37 2k2j s GLY 62 Ca 0.03 2.35 0.01 0.00 0.00 0.00 0.00 44.72 47.11 2k2j s GLY 62 CO 0.75 0.97 -0.02 -0.42 0.00 0.00 0.00 173.10 174.38 2k2j s ILE 63 N -1.32 0.20 -0.39 0.90 1.01 -1.26 -1.30 121.20 119.05 2k2j s ILE 63 Ca 0.06 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2k2j s ILE 63 Cb -0.01 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.28 2k2j s ILE 63 CO -0.04 0.07 0.26 -0.76 0.00 0.00 0.00 174.94 174.47 2k2j s LEU 64 N 0.11 4.91 0.57 2.97 2.01 0.21 -4.92 118.68 124.54 2k2j s LEU 64 Ca -0.01 -0.85 0.29 0.00 0.01 0.00 0.00 54.13 53.57 2k2j s LEU 64 Cb -0.03 -2.12 1.47 0.00 0.01 0.00 0.00 46.19 45.52 2k2j s LEU 64 CO -0.00 -0.40 1.91 0.44 1.01 0.00 0.00 176.35 179.30 2k2j h ASP 65 N 8.56 0.00 0.00 2.29 3.32 -1.88 -2.46 116.42 126.25 2k2j h ASP 65 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2k2j h ASP 65 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k2j h ASP 65 CO 0.70 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 178.40 2k2j n LEU 66 N -3.87 0.97 -0.04 1.55 4.77 -1.26 -4.44 117.00 114.68 2k2j n LEU 66 Ca 0.10 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2k2j n LEU 66 Cb 0.71 -2.19 -0.09 0.00 -2.33 0.00 0.00 43.42 39.52 2k2j n LEU 66 CO 0.30 -0.85 -0.01 0.59 -1.33 0.00 0.00 177.39 176.09 2k2j n ASN 67 N -0.72 0.94 -3.01 -1.43 5.03 -1.26 -3.89 115.26 110.91 2k2j n ASN 67 Ca 0.00 -0.97 -0.15 0.00 0.87 0.00 0.00 54.58 54.33 2k2j n ASN 67 Cb 0.36 0.95 -0.01 0.00 -1.02 0.00 0.00 39.78 40.07 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2k2j n THR 68 N -1.31 0.16 -4.04 3.41 -2.24 -1.26 -5.01 114.28 103.99 2k2j n THR 68 Ca 0.04 -3.97 -0.10 0.00 -2.27 0.00 0.00 64.05 57.75 2k2j n THR 68 Cb 0.29 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.44 0.59 -0.02 4.78 2.02 -1.26 -0.38 117.35 120.64 2k2j s TYR 69 Ca 0.35 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2k2j s TYR 69 Cb 0.38 0.05 0.03 0.00 -0.40 0.00 0.00 41.96 42.01 2k2j s TYR 69 CO -0.05 -0.97 0.02 -0.80 -1.57 0.00 0.00 175.55 172.18 2k2j s ASN 70 N -3.08 0.14 -0.11 2.29 0.01 0.66 -4.78 114.94 110.07 2k2j s ASN 70 Ca 0.26 0.02 -0.13 0.00 -0.71 0.00 0.00 52.86 52.30 2k2j s ASN 70 Cb 0.00 -0.09 -0.05 0.00 0.41 0.00 0.00 41.25 41.52 2k2j s ASN 70 CO 0.11 -0.11 0.29 -0.69 -1.51 0.00 0.00 177.10 175.20 2k2j s VAL 71 N 0.93 5.27 -0.04 1.60 1.01 -1.26 -0.14 120.40 127.77 2k2j s VAL 71 Ca -0.08 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2k2j s VAL 71 Cb -0.12 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2k2j s VAL 71 CO -0.02 0.49 0.05 0.68 0.00 0.00 0.00 175.10 176.29 2k2j s VAL 72 N -0.26 -0.02 -0.54 2.92 -7.23 -0.62 -4.98 120.40 109.68 2k2j s VAL 72 Ca 0.18 0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 60.43 2k2j s VAL 72 Cb -0.14 -0.22 -0.00 0.00 0.56 0.00 0.00 36.38 36.58 2k2j s VAL 72 CO 0.06 0.19 1.62 -0.75 -0.31 0.00 0.00 175.10 175.92 2k2j s LYS 73 N 2.06 3.10 -0.16 4.82 2.20 -1.26 -1.14 119.74 129.36 2k2j s LYS 73 Ca 0.04 0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 56.03 2k2j s LYS 73 Cb -0.12 -4.22 -0.01 0.00 -1.51 0.00 0.00 37.83 31.97 2k2j s LYS 73 CO -0.03 -2.17 1.21 0.00 -0.36 0.00 0.00 175.35 174.00 2k2j s ALA 74 N 7.14 3.64 0.60 3.13 0.00 0.40 -4.97 121.76 131.70 2k2j s ALA 74 Ca 0.62 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 2k2j s ALA 74 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2k2j s ALA 74 CO 0.25 -1.10 1.05 -2.14 0.00 0.00 0.00 175.76 173.82 2k2j s PRO 75 N 3.28 3.35 -0.68 0.00 0.02 -1.26 -2.82 135.00 136.88 2k2j s PRO 75 Ca 0.53 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2k2j s PRO 75 Cb -0.21 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2k2j s PRO 75 CO 0.14 -0.78 0.00 1.04 -0.33 0.00 0.00 177.00 177.07 2k2j n GLN 76 N -2.15 -1.78 0.00 5.54 6.02 -1.17 -4.69 117.38 119.15 2k2j n GLN 76 Ca 0.08 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2k2j n GLN 76 Cb 0.53 -4.89 0.00 0.00 1.02 0.00 0.00 30.24 26.90 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 0.42 -0.51 3.05 1.08 0.00 0.89 -3.89 105.19 106.23 2k2j n GLY 77 Ca -0.06 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2k2j n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2j s LYS 78 N 0.00 0.20 -0.39 1.61 1.02 -1.24 -4.76 119.74 116.18 2k2j s LYS 78 Ca 0.00 0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.11 2k2j s LYS 78 Cb 0.00 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.38 2k2j s LYS 78 CO 0.00 -0.06 0.48 0.09 -0.92 0.00 0.00 175.35 174.94 2k2j n ASN 79 N 3.25 -7.36 -1.13 2.83 3.02 -1.26 -3.01 115.26 111.60 2k2j n ASN 79 Ca -0.15 0.53 -0.15 0.00 -0.03 0.00 0.00 54.58 54.78 2k2j n ASN 79 Cb 0.57 -4.34 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 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 -0.01 -1.60 -4.15 3.52 6.02 -1.26 -4.96 117.38 114.95 2k2j n GLN 80 Ca 0.05 1.02 -0.24 0.00 -0.01 0.00 0.00 57.00 57.81 2k2j n GLN 80 Cb 0.44 -5.43 -0.07 0.00 1.02 0.00 0.00 30.24 26.20 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 -3.24 2.24 0.00 -1.09 -0.14 -1.16 -5.05 119.74 111.30 2k2j s LYS 81 Ca 0.00 -1.74 0.00 0.00 -1.36 0.00 0.00 55.97 52.87 2k2j s LYS 81 Cb 0.00 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 2k2j s LYS 81 CO 0.00 -0.01 0.00 0.45 -0.76 0.00 0.00 175.35 175.03 2k2j n SER 82 N -1.17 3.95 -3.86 2.83 2.88 -1.25 -3.63 113.62 113.37 2k2j n SER 82 Ca -0.02 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 2k2j n SER 82 Cb 0.63 0.56 -0.15 0.00 -0.75 0.00 0.00 64.21 64.50 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 -1.70 2.21 0.06 0.66 0.08 -1.26 -0.07 117.98 117.96 2k2j s PHE 83 Ca 0.00 -1.82 0.04 0.00 0.12 0.00 0.00 56.93 55.27 2k2j s PHE 83 Cb 0.00 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2k2j s PHE 83 CO 0.00 -0.81 -0.11 0.08 -0.10 0.00 0.00 175.22 174.28 2k2j s VAL 84 N 1.45 0.87 -0.04 -0.44 1.01 -1.13 -3.97 120.40 118.16 2k2j s VAL 84 Ca 0.02 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.75 2k2j s VAL 84 Cb -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k2j s VAL 84 CO -0.12 -0.34 -0.12 -0.36 0.00 0.00 0.00 175.10 174.15 2k2j s PHE 85 N -1.52 1.28 -0.06 5.22 0.40 -0.86 0.15 117.98 122.59 2k2j s PHE 85 Ca -0.04 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2k2j s PHE 85 Cb -0.09 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 2k2j s PHE 85 CO 0.01 -0.14 -0.14 0.42 0.70 0.00 0.00 175.22 176.08 2k2j s ILE 86 N 0.18 3.11 -0.20 0.64 1.01 -0.29 -0.93 121.20 124.73 2k2j s ILE 86 Ca -0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 2k2j s ILE 86 Cb -0.10 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2k2j s ILE 86 CO 0.01 0.58 0.13 -0.76 0.00 0.00 0.00 174.94 174.91 2k2j s LEU 87 N -0.59 4.21 -0.30 2.97 1.43 -0.14 -1.59 118.68 124.67 2k2j s LEU 87 Ca 0.08 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2k2j s LEU 87 Cb -0.11 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 44.09 2k2j s LEU 87 CO 0.01 0.19 -0.01 -1.61 0.23 0.00 0.00 176.35 175.16 2k2j s GLU 88 N 0.30 2.13 0.71 1.70 2.02 0.81 -2.45 118.70 123.92 2k2j s GLU 88 Ca 0.08 -1.47 -0.16 0.00 0.02 0.00 0.00 54.97 53.44 2k2j s GLU 88 Cb -0.11 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2k2j s GLU 88 CO -0.02 -0.71 0.95 -0.35 0.02 0.00 0.00 175.26 175.16 2k2j n PRO 89 N 4.47 0.52 0.00 0.39 -0.04 -1.26 -0.24 135.00 138.84 2k2j n PRO 89 Ca -0.09 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k2j n PRO 89 Cb 0.42 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 -1.77 0.30 0.36 0.54 5.02 0.49 -4.79 118.16 118.31 2k2j n LYS 90 Ca 0.13 -0.78 -0.14 0.00 -2.02 0.00 0.00 58.31 55.50 2k2j n LYS 90 Cb 0.49 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 34.47 2k2j n LYS 90 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2k2j h GLN 91 N 0.00 -0.89 0.00 1.97 5.75 -1.93 -3.49 115.11 116.53 2k2j h GLN 91 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2k2j h GLN 91 Cb 0.21 0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2k2j h GLN 91 CO 0.00 -0.59 0.00 0.94 -2.65 0.00 0.00 178.83 176.53 2k2j n GLN 92 N -4.66 0.00 -1.44 1.69 7.27 -1.26 -5.01 117.38 113.98 2k2j n GLN 92 Ca -0.11 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.98 2k2j n GLN 92 Cb 0.36 0.00 0.08 0.00 2.41 0.00 0.00 30.24 33.09 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 -0.97 2.60 3.75 1.69 0.00 -1.26 -5.10 105.19 105.90 2k2j n GLY 93 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.66 4.29 0.43 1.61 1.11 -1.26 -5.03 116.67 115.16 2k2j s ASP 94 Ca 0.35 1.94 -0.15 0.00 0.18 0.00 0.00 52.55 54.88 2k2j s ASP 94 Cb 0.38 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.75 2k2j s ASP 94 CO -0.11 -2.18 0.86 -2.16 1.18 0.00 0.00 175.17 172.75 2k2j s PRO 95 N -4.69 3.93 0.70 8.23 0.04 -1.26 -4.72 135.00 137.24 2k2j s PRO 95 Ca 0.64 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 2k2j s PRO 95 Cb -0.19 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.11 2k2j s PRO 95 CO 0.54 -0.08 1.03 -1.25 0.04 0.00 0.00 177.00 177.27 2k2j s PRO 96 N -3.70 2.39 -0.03 0.56 0.04 -1.26 -4.62 135.00 128.38 2k2j s PRO 96 Ca 0.56 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.57 2k2j s PRO 96 Cb -0.10 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.33 2k2j s PRO 96 CO 0.27 -1.17 -0.02 0.08 0.04 0.00 0.00 177.00 176.20 2k2j s VAL 97 N -3.27 0.31 -0.07 -0.36 1.01 -1.02 -4.97 120.40 112.03 2k2j s VAL 97 Ca 0.59 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 2k2j s VAL 97 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2k2j s VAL 97 CO 0.47 0.16 0.19 -1.61 0.00 0.00 0.00 175.10 174.30 2k2j s GLU 98 N 0.77 3.50 0.15 2.72 8.01 -1.26 -0.96 118.70 131.63 2k2j s GLU 98 Ca -0.09 -0.11 0.05 0.00 0.01 0.00 0.00 54.97 54.84 2k2j s GLU 98 Cb -0.12 -3.16 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 2k2j s GLU 98 CO -0.01 0.73 -0.12 -0.06 0.01 0.00 0.00 175.26 175.82 2k2j s PHE 99 N -1.13 1.36 0.18 1.61 0.40 -0.11 -1.98 117.98 118.32 2k2j s PHE 99 Ca 0.20 -0.67 -0.22 0.00 -0.60 0.00 0.00 56.93 55.64 2k2j s PHE 99 Cb -0.13 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.77 2k2j s PHE 99 CO 0.09 0.14 0.60 0.00 0.70 0.00 0.00 175.22 176.75 2k2j s ALA 100 N -2.92 -1.43 0.14 5.36 0.00 -0.73 -2.03 121.76 120.15 2k2j s ALA 100 Ca 0.15 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2k2j s ALA 100 Cb -0.00 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2k2j s ALA 100 CO 0.02 -0.82 0.08 0.25 0.00 0.00 0.00 175.76 175.30 2k2j n THR 101 N -0.38 0.00 -0.17 0.00 -2.24 -1.25 -3.08 114.28 107.15 2k2j n THR 101 Ca -0.14 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2k2j n THR 101 Cb 0.64 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.22 1.44 -3.88 3.42 8.00 -1.26 -4.89 116.55 117.16 2k2j n ASP 102 Ca 0.01 -1.62 -0.09 0.00 0.71 0.00 0.00 54.79 53.80 2k2j n ASP 102 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k2j s ARG 103 N -0.62 0.86 0.11 -1.24 0.52 -1.26 -5.06 118.95 112.27 2k2j s ARG 103 Ca 0.00 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2k2j s ARG 103 Cb 0.00 0.34 -0.18 0.00 0.52 0.00 0.00 34.95 35.63 2k2j s ARG 103 CO 0.00 -0.27 1.24 -0.39 0.02 0.00 0.00 175.30 175.90 2k2j h VAL 104 N 2.75 1.52 0.01 3.52 -1.51 -1.99 -2.87 116.25 117.69 2k2j h VAL 104 Ca -0.34 -2.91 -0.00 0.00 -1.23 0.00 0.00 66.70 62.22 2k2j h VAL 104 Cb 1.20 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 33.09 2k2j h VAL 104 CO 0.56 0.85 -0.01 -0.33 -1.23 0.00 0.00 177.57 177.42 2k2j h GLU 105 N 0.09 -0.01 -0.28 5.19 5.08 -1.99 -2.05 114.58 120.61 2k2j h GLU 105 Ca -0.09 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2k2j h GLU 105 Cb 1.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 2k2j h GLU 105 CO 0.17 0.53 0.19 0.93 -1.00 0.00 0.00 179.01 179.83 2k2j h GLU 106 N -0.57 0.30 0.43 2.33 4.39 -1.99 0.13 114.58 119.61 2k2j h GLU 106 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2k2j h GLU 106 Cb 0.55 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k2j h GLU 106 CO 0.00 0.20 -0.21 1.25 -1.16 0.00 0.00 179.01 179.10 2k2j h LEU 107 N 0.31 -0.49 -1.67 1.33 5.85 -1.44 -1.38 115.31 117.82 2k2j h LEU 107 Ca 0.11 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2k2j h LEU 107 Cb 0.06 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2k2j h LEU 107 CO -0.02 -0.12 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.51 2k2j h PHE 108 N -0.91 0.00 0.19 1.25 0.04 -1.05 -0.88 116.94 115.58 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2k2j h PHE 108 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2k2j h PHE 108 CO 0.02 0.19 -0.09 1.49 -0.60 0.00 0.00 178.31 179.32 2k2j h GLU 109 N 0.00 -0.25 -0.41 1.51 4.57 -0.70 -2.51 114.58 116.79 2k2j h GLU 109 Ca -0.00 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 2k2j h GLU 109 Cb 0.40 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2k2j h GLU 109 CO 0.02 -0.02 -0.23 -1.49 -1.18 0.00 0.00 179.01 176.12 2k2j h TRP 110 N -1.02 1.03 -0.01 0.92 4.06 -1.27 -2.81 115.95 116.85 2k2j h TRP 110 Ca -0.03 -0.27 -0.17 0.00 2.06 0.00 0.00 58.89 60.49 2k2j h TRP 110 Cb 0.34 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 2k2j h TRP 110 CO 0.04 1.06 -0.77 0.74 -3.56 0.00 0.00 178.44 175.94 2k2j h PHE 111 N 0.71 0.10 -0.12 0.49 0.04 -1.32 -2.27 116.94 114.57 2k2j h PHE 111 Ca 0.09 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 2k2j h PHE 111 Cb 0.80 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2k2j h PHE 111 CO 0.06 0.81 -0.46 0.37 -0.60 0.00 0.00 178.31 178.49 2k2j h GLN 112 N 0.04 0.29 -0.15 1.51 -0.00 -1.45 -2.09 115.11 113.26 2k2j h GLN 112 Ca -0.02 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.65 58.44 2k2j h GLN 112 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.84 2k2j h GLN 112 CO 0.11 0.69 -0.09 1.03 0.00 0.00 0.00 178.83 180.57 2k2j h SER 113 N 0.23 0.33 -0.61 -0.69 0.87 -1.37 0.16 113.55 112.47 2k2j h SER 113 Ca 0.02 -0.43 0.08 0.00 -1.23 0.00 0.00 61.79 60.22 2k2j h SER 113 Cb 0.90 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 2k2j h SER 113 CO 0.07 0.69 0.40 0.40 -0.53 0.00 0.00 176.83 177.86 2k2j h ILE 114 N -0.03 0.96 0.00 2.23 2.04 -1.31 0.52 117.51 121.92 2k2j h ILE 114 Ca 0.03 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.52 2k2j h ILE 114 Cb 0.57 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2k2j h ILE 114 CO 0.02 0.10 -0.86 0.03 0.00 0.00 0.00 178.15 177.44 2k2j h ARG 115 N 0.53 0.11 0.00 2.37 3.08 -1.14 -2.21 114.38 117.11 2k2j h ARG 115 Ca 0.27 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2k2j h ARG 115 Cb 0.37 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2k2j h ARG 115 CO -0.08 0.90 0.00 0.93 -1.07 0.00 0.00 179.97 180.65 2k2j h GLU 116 N 0.06 0.00 0.00 0.04 4.39 0.16 0.36 114.58 119.59 2k2j h GLU 116 Ca -0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 2k2j h GLU 116 Cb 1.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.11 2k2j h GLU 116 CO 0.12 0.00 -1.81 -0.89 -1.16 0.00 0.00 179.01 175.28 2k2j n ILE 117 N -3.04 0.81 -0.06 3.13 5.41 -1.10 -4.42 119.36 120.09 2k2j n ILE 117 Ca -0.03 -0.45 -0.06 0.00 1.00 0.00 0.00 62.75 63.21 2k2j n ILE 117 Cb 0.07 -0.77 -0.02 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.55 1.07 0.10 1.39 -2.24 -0.84 -4.46 114.28 106.75 2k2j n THR 118 Ca -0.21 0.25 0.20 0.00 -2.27 0.00 0.00 64.05 62.02 2k2j n THR 118 Cb 0.86 -2.12 0.75 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.72 0.00 -3.55 4.78 2.91 -0.59 -3.39 115.95 115.40 2k2j h TRP 119 Ca 0.00 0.00 -0.48 0.00 1.13 0.00 0.00 58.89 59.54 2k2j h TRP 119 Cb 0.66 0.00 -0.33 0.00 -0.51 0.00 0.00 29.16 28.99 2k2j h TRP 119 CO -0.29 0.00 -0.80 0.15 -1.03 0.00 0.00 178.44 176.47 2k2j s LYS 120 N -4.66 1.37 -0.13 2.65 1.02 0.01 -5.00 119.74 114.99 2k2j s LYS 120 Ca -0.04 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 2k2j s LYS 120 Cb 0.16 -1.19 0.06 0.00 -0.52 0.00 0.00 37.83 36.34 2k2j s LYS 120 CO 0.57 0.04 0.12 0.96 -0.92 0.00 0.00 175.35 176.12 2k2j s ILE 121 N 0.56 -0.16 -0.37 2.17 -4.36 -1.26 -3.99 121.20 113.80 2k2j s ILE 121 Ca -0.11 0.07 -0.10 0.00 -0.26 0.00 0.00 60.65 60.25 2k2j s ILE 121 Cb -0.14 -0.45 0.03 0.00 1.25 0.00 0.00 42.46 43.15 2k2j s ILE 121 CO 0.02 -0.09 0.19 -0.62 0.24 0.00 0.00 174.94 174.68 2k2j s ASP 122 N 2.20 5.65 -0.17 4.36 2.15 -1.26 -5.04 116.67 124.56 2k2j s ASP 122 Ca 0.04 -1.01 -0.04 0.00 0.43 0.00 0.00 52.55 51.97 2k2j s ASP 122 Cb -0.14 -1.99 0.08 0.00 -0.30 0.00 0.00 42.92 40.56 2k2j s ASP 122 CO -0.08 -0.37 0.24 -0.89 -0.17 0.00 0.00 175.17 173.90 2k2j s THR 123 N 1.53 -0.36 0.00 1.71 2.01 -1.26 -5.27 115.64 113.99 2k2j s THR 123 Ca 0.01 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2k2j s THR 123 Cb -0.19 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2k2j s THR 123 CO 0.06 -0.05 0.00 2.29 -0.69 0.00 0.00 174.62 176.23