#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 2.83 -0.29 1.97 1.02 -1.26 -5.09 119.74 118.91 2k2j s LYS 9 Ca 0.00 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 54.60 2k2j s LYS 9 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 2k2j s LYS 9 CO 0.00 -0.10 0.32 -0.51 -0.92 0.00 0.00 175.35 174.15 2k2j s ASP 10 N -4.19 6.17 0.00 2.83 1.01 -1.26 -4.86 116.67 116.37 2k2j s ASP 10 Ca 0.48 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.80 2k2j s ASP 10 Cb -0.08 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.67 2k2j s ASP 10 CO 0.30 -0.20 0.24 -1.84 0.21 0.00 0.00 175.17 173.88 2k2j n GLU 11 N 5.28 0.00 0.02 8.23 0.28 -1.26 -4.84 120.64 128.35 2k2j n GLU 11 Ca -0.10 -0.24 -0.12 0.00 -0.16 0.00 0.00 57.16 56.54 2k2j n GLU 11 Cb 0.51 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.89 2k2j n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k2j h HIS 12 N 0.00 0.72 -1.91 -1.84 3.86 -2.02 -3.46 115.15 110.49 2k2j h HIS 12 Ca 0.00 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 58.88 2k2j h HIS 12 Cb 0.74 -0.11 -0.22 0.00 1.06 0.00 0.00 27.41 28.88 2k2j h HIS 12 CO 0.00 1.09 0.20 -1.59 0.86 0.00 0.00 177.93 178.49 2k2j s LYS 13 N -3.69 0.78 -0.16 2.45 -2.85 -1.26 -4.99 119.74 110.01 2k2j s LYS 13 Ca -0.07 0.88 -0.29 0.00 -1.00 0.00 0.00 55.97 55.49 2k2j s LYS 13 Cb 0.10 0.38 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2k2j s LYS 13 CO 0.86 -0.10 1.00 -0.65 0.10 0.00 0.00 175.35 176.55 2k2j s GLN 14 N 0.27 4.34 -0.07 1.78 -1.52 -1.26 -4.94 119.66 118.26 2k2j s GLN 14 Ca 0.00 1.33 -0.04 0.00 -1.95 0.00 0.00 55.36 54.70 2k2j s GLN 14 Cb -0.05 -3.59 0.03 0.00 -0.22 0.00 0.00 33.01 29.19 2k2j s GLN 14 CO -0.00 -0.44 0.17 -0.65 -0.25 0.00 0.00 175.29 174.11 2k2j s GLN 15 N 2.50 0.15 0.00 2.91 -0.21 -1.26 -0.41 119.66 123.34 2k2j s GLN 15 Ca 0.45 0.34 0.00 0.00 0.02 0.00 0.00 55.36 56.17 2k2j s GLN 15 Cb -0.17 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.77 2k2j s GLN 15 CO 0.12 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 2k2j n GLY 16 N 3.75 -0.39 3.01 3.09 0.00 -0.50 -4.98 105.19 109.18 2k2j n GLY 16 Ca -0.21 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.41 0.24 1.61 2.02 -1.26 -1.06 118.70 120.66 2k2j s GLU 17 Ca 0.00 -0.59 -0.09 0.00 0.02 0.00 0.00 54.97 54.31 2k2j s GLU 17 Cb 0.00 -0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 2k2j s GLU 17 CO 0.00 0.02 0.39 -0.51 0.02 0.00 0.00 175.26 175.18 2k2j s LEU 18 N -1.26 0.57 -0.05 1.80 1.43 -0.64 -4.86 118.68 115.67 2k2j s LEU 18 Ca -0.10 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 51.97 2k2j s LEU 18 Cb -0.08 1.39 -0.02 0.00 0.03 0.00 0.00 46.19 47.51 2k2j s LEU 18 CO -0.00 -1.07 -0.18 -0.31 0.23 0.00 0.00 176.35 175.02 2k2j s TYR 19 N -4.00 2.60 -0.01 0.29 1.51 -1.18 -1.66 117.35 114.90 2k2j s TYR 19 Ca 0.27 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 2k2j s TYR 19 Cb 0.01 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2k2j s TYR 19 CO 0.10 0.06 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.85 2k2j s MET 20 N -0.54 0.89 0.01 -0.62 -1.94 -1.26 -1.31 119.30 114.54 2k2j s MET 20 Ca 0.07 -0.37 -0.32 0.00 -1.71 0.00 0.00 55.69 53.37 2k2j s MET 20 Cb -0.11 -0.86 -0.10 0.00 2.01 0.00 0.00 34.83 35.77 2k2j s MET 20 CO 0.01 0.21 1.92 1.87 -0.01 0.00 0.00 175.02 179.02 2k2j n TRP 21 N 2.90 2.47 -3.22 -0.03 -0.00 -1.01 -4.22 117.44 114.32 2k2j n TRP 21 Ca -0.14 -0.23 -0.44 0.00 -0.00 0.00 0.00 57.50 56.69 2k2j n TRP 21 Cb 0.56 -2.75 -0.07 0.00 -0.00 0.00 0.00 31.31 29.05 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 4.05 6.20 0.00 5.87 1.11 -0.62 -4.85 116.67 128.43 2k2j s ASP 22 Ca 0.89 -1.01 0.06 0.00 0.18 0.00 0.00 52.55 52.67 2k2j s ASP 22 Cb -0.52 -2.26 0.28 0.00 1.07 0.00 0.00 42.92 41.49 2k2j s ASP 22 CO 0.44 -0.82 1.19 -1.20 1.18 0.00 0.00 175.17 175.97 2k2j n SER 23 N 5.90 0.32 -0.10 0.27 7.64 -1.26 -0.14 113.62 126.25 2k2j n SER 23 Ca -0.08 -1.88 -0.16 0.00 1.01 0.00 0.00 58.87 57.76 2k2j n SER 23 Cb 0.45 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.53 2k2j n SER 23 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k2j n ILE 24 N -0.38 1.10 0.67 0.44 5.41 -1.26 -4.54 119.36 120.80 2k2j n ILE 24 Ca 0.05 -0.37 0.10 0.00 1.00 0.00 0.00 62.75 63.52 2k2j n ILE 24 Cb 0.07 -1.38 0.11 0.00 -0.71 0.00 0.00 39.64 37.72 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 -3.35 2.77 -3.86 4.38 8.00 -1.23 -4.99 116.55 118.27 2k2j n ASP 25 Ca -0.36 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 52.92 2k2j n ASP 25 Cb 0.83 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.13 -0.77 -3.55 -1.24 3.00 0.80 -4.94 117.38 111.82 2k2j n GLN 26 Ca 0.13 0.31 -0.01 0.00 -0.01 0.00 0.00 57.00 57.42 2k2j n GLN 26 Cb 0.50 -3.29 0.02 0.00 0.00 0.00 0.00 30.24 27.47 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 -4.47 0.44 -4.17 -1.09 2.85 -1.07 -5.00 118.16 105.66 2k2j n LYS 27 Ca -0.11 -1.09 -0.35 0.00 -1.05 0.00 0.00 58.31 55.72 2k2j n LYS 27 Cb 0.58 1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 36.41 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 -2.56 3.30 0.19 5.58 0.52 -1.26 -1.58 118.94 123.13 2k2j s TRP 28 Ca 0.21 0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.62 2k2j s TRP 28 Cb -0.02 -1.80 -0.05 0.00 -1.15 0.00 0.00 33.47 30.45 2k2j s TRP 28 CO 0.03 0.56 0.01 0.95 0.02 0.00 0.00 176.95 178.52 2k2j s THR 29 N -1.03 0.74 -0.21 2.01 -4.23 -1.26 -5.03 115.64 106.62 2k2j s THR 29 Ca 0.17 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.52 2k2j s THR 29 Cb -0.12 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2k2j s THR 29 CO 0.07 -0.41 0.45 -0.60 -0.54 0.00 0.00 174.62 173.59 2k2j s ARG 30 N -3.91 4.16 0.06 3.99 3.52 -1.26 -4.02 118.95 121.48 2k2j s ARG 30 Ca 0.26 0.28 0.09 0.00 -0.13 0.00 0.00 55.73 56.22 2k2j s ARG 30 Cb 0.06 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2k2j s ARG 30 CO 0.06 -0.12 -0.24 -1.01 -0.81 0.00 0.00 175.30 173.17 2k2j s HIS 31 N 1.57 2.13 -0.65 5.12 3.76 -0.66 -3.29 115.29 123.26 2k2j s HIS 31 Ca 0.21 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.52 2k2j s HIS 31 Cb -0.15 -1.25 0.09 0.00 1.11 0.00 0.00 32.58 32.38 2k2j s HIS 31 CO 0.09 0.15 0.85 -0.47 -0.85 0.00 0.00 174.74 174.51 2k2j s TYR 32 N -0.86 2.87 0.37 1.40 5.04 -1.26 -1.62 117.35 123.29 2k2j s TYR 32 Ca 0.10 -0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2k2j s TYR 32 Cb -0.10 -4.15 -0.03 0.00 0.35 0.00 0.00 41.96 38.03 2k2j s TYR 32 CO 0.03 -1.46 0.58 0.00 -1.34 0.00 0.00 175.55 173.36 2k2j s ALA 34 N -2.37 -2.65 -0.49 0.00 0.00 -1.08 -1.41 121.76 113.76 2k2j s ALA 34 Ca 0.41 1.90 -0.23 0.00 0.00 0.00 0.00 51.96 54.04 2k2j s ALA 34 Cb -0.10 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.91 2k2j s ALA 34 CO 0.37 -1.18 0.82 0.42 0.00 0.00 0.00 175.76 176.19 2k2j s ILE 35 N 2.77 4.59 -0.21 0.00 1.01 0.46 -2.26 121.20 127.55 2k2j s ILE 35 Ca 0.04 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 2k2j s ILE 35 Cb -0.11 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2k2j s ILE 35 CO -0.17 -0.85 0.06 0.00 0.00 0.00 0.00 174.94 173.98 2k2j s ALA 36 N 3.42 3.24 0.00 9.38 0.00 0.19 -4.29 121.76 133.72 2k2j s ALA 36 Ca 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2k2j s ALA 36 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2k2j s ALA 36 CO 0.21 -0.16 0.00 -3.47 0.00 0.00 0.00 175.76 172.33 2k2j n ASP 37 N 4.25 0.00 0.00 0.00 2.03 -1.26 -1.11 116.55 120.46 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 2.99 0.63 -2.46 -1.67 0.00 -1.26 -5.10 120.51 113.64 2k2j n ALA 38 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 2k2j n ALA 38 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 2.03 -0.28 0.00 1.02 -0.27 -4.56 119.74 117.69 2k2j s LYS 39 Ca 0.00 -1.01 -0.07 0.00 0.02 0.00 0.00 55.97 54.91 2k2j s LYS 39 Cb 0.00 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2k2j s LYS 39 CO 0.00 0.53 0.08 -1.17 -0.92 0.00 0.00 175.35 173.87 2k2j s LEU 40 N -1.54 3.74 -0.27 3.17 2.96 -0.95 -0.63 118.68 125.15 2k2j s LEU 40 Ca 0.15 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2k2j s LEU 40 Cb -0.11 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 2k2j s LEU 40 CO 0.06 -0.15 0.10 -0.44 -1.32 0.00 0.00 176.35 174.60 2k2j s SER 41 N 1.54 5.26 -0.17 3.68 0.01 -0.96 0.05 113.70 123.10 2k2j s SER 41 Ca 0.04 -0.35 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2k2j s SER 41 Cb -0.17 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2k2j s SER 41 CO 0.03 -0.10 0.05 0.72 0.41 0.00 0.00 173.24 174.35 2k2j s PHE 42 N 1.60 3.23 0.64 2.43 -0.12 -0.77 -2.64 117.98 122.34 2k2j s PHE 42 Ca 0.05 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 57.03 2k2j s PHE 42 Cb -0.16 -2.05 0.10 0.00 -0.63 0.00 0.00 43.02 40.28 2k2j s PHE 42 CO 0.04 0.17 0.88 -1.54 -0.05 0.00 0.00 175.22 174.72 2k2j s SER 43 N 0.26 4.77 0.88 1.98 1.04 -1.05 -2.51 113.70 119.07 2k2j s SER 43 Ca 0.03 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 2k2j s SER 43 Cb -0.12 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.14 2k2j s SER 43 CO 0.01 -1.55 1.09 -0.62 0.98 0.00 0.00 173.24 173.15 2k2j s ASP 44 N -4.67 3.68 0.58 7.02 2.15 -1.21 -4.28 116.67 119.96 2k2j s ASP 44 Ca 0.63 1.43 -0.19 0.00 0.43 0.00 0.00 52.55 54.86 2k2j s ASP 44 Cb -0.06 -2.12 -0.06 0.00 -0.30 0.00 0.00 42.92 40.38 2k2j s ASP 44 CO 0.41 -2.50 0.86 0.47 -0.17 0.00 0.00 175.17 174.24 2k2j n ASP 45 N -3.79 0.34 -0.49 -0.34 8.00 -1.26 -4.38 116.55 114.63 2k2j n ASP 45 Ca 0.07 0.80 0.06 0.00 0.71 0.00 0.00 54.79 56.42 2k2j n ASP 45 Cb 0.56 -1.33 0.07 0.00 -0.02 0.00 0.00 41.12 40.39 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2k2j n ILE 46 N -1.66 0.23 0.00 0.53 -5.35 -1.21 -4.67 119.36 107.23 2k2j n ILE 46 Ca 0.13 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2k2j n ILE 46 Cb 0.47 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 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 0.61 0.00 -0.28 6.28 0.28 -1.26 -4.91 120.64 121.36 2k2j n GLU 47 Ca 0.08 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.10 2k2j n GLU 47 Cb 0.31 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.31 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 -0.78 2.20 -1.67 3.44 1.13 -1.26 -4.92 117.38 115.52 2k2j n GLN 48 Ca 0.00 -0.98 -0.46 0.00 -1.94 0.00 0.00 57.00 53.62 2k2j n GLN 48 Cb 0.00 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.59 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 0.65 -0.65 5.09 -2.24 -1.26 -4.85 114.28 111.22 2k2j n THR 49 Ca 0.09 -0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 2k2j n THR 49 Cb 0.53 -2.04 0.35 0.00 -2.10 0.00 0.00 70.33 67.07 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 7.01 3.74 -1.74 -0.78 2.81 -1.26 -4.99 117.12 121.91 2k2j n MET 50 Ca 0.22 -2.87 -0.42 0.00 -1.81 0.00 0.00 57.70 52.81 2k2j n MET 50 Cb 0.34 -1.89 -0.01 0.00 -0.71 0.00 0.00 33.22 30.94 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 0.97 2.56 0.11 0.03 1.02 -1.26 -4.95 120.64 119.12 2k2j n GLU 51 Ca 0.25 0.90 -0.05 0.00 -0.02 0.00 0.00 57.16 58.25 2k2j n GLU 51 Cb 0.89 -2.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 2k2j n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k2j h GLU 52 N 3.98 -0.29 -0.19 3.49 4.57 -1.99 -3.37 114.58 120.79 2k2j h GLU 52 Ca -0.48 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2k2j h GLU 52 Cb 1.24 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2k2j h GLU 52 CO 0.73 -0.20 0.00 -0.40 -1.18 0.00 0.00 179.01 177.96 2k2j n ASP 53 N -3.18 3.15 -3.40 1.04 5.68 -1.26 -5.00 116.55 113.58 2k2j n ASP 53 Ca -0.04 -2.75 -0.20 0.00 -0.50 0.00 0.00 54.79 51.30 2k2j n ASP 53 Cb 0.12 -0.40 0.06 0.00 -1.14 0.00 0.00 41.12 39.75 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k2j n ASN 54 N -0.55 -6.24 -4.60 -1.12 3.02 -1.26 -4.95 115.26 99.57 2k2j n ASN 54 Ca 0.16 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.51 2k2j n ASN 54 Cb 0.68 -4.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k2j s PRO 55 N -4.89 3.92 -0.19 3.52 0.04 -1.26 -4.65 135.00 131.49 2k2j s PRO 55 Ca 0.44 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 2k2j s PRO 55 Cb -0.10 -3.73 0.04 0.00 0.04 0.00 0.00 34.50 30.75 2k2j s PRO 55 CO 0.79 -0.65 0.19 -0.11 0.04 0.00 0.00 177.00 177.26 2k2j n LEU 56 N 6.08 -6.34 -0.02 -3.56 7.94 -1.26 -5.02 117.00 114.82 2k2j n LEU 56 Ca 0.02 2.07 -0.01 0.00 -1.11 0.00 0.00 56.01 56.98 2k2j n LEU 56 Cb 0.48 -3.17 -0.00 0.00 0.53 0.00 0.00 43.42 41.26 2k2j n LEU 56 CO 0.49 -3.83 -0.09 1.23 -1.11 0.00 0.00 177.39 174.08 2k2j h GLY 57 N 4.02 0.00 -3.18 -3.96 0.00 -2.02 -3.51 103.07 94.42 2k2j h GLY 57 Ca -0.44 0.00 0.37 0.00 0.00 0.00 0.00 47.33 47.27 2k2j h GLY 57 CO 0.02 0.00 -0.64 -1.26 0.00 0.00 0.00 176.54 174.67 2k2j n SER 58 N -2.91 -8.37 0.00 0.19 2.88 -1.26 -4.88 113.62 99.27 2k2j n SER 58 Ca -0.02 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2k2j n SER 58 Cb 0.07 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k2j n LEU 59 N -4.19 0.00 -4.58 2.46 -0.00 -1.26 -4.72 117.00 104.72 2k2j n LEU 59 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.60 2k2j n LEU 59 Cb 0.65 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2k2j n LEU 59 CO 0.02 -0.25 1.77 0.00 -0.00 0.00 0.00 177.39 178.93 2k2j n ARG 61 N 8.81 0.63 -3.59 0.00 5.12 -1.05 -5.00 116.66 121.58 2k2j n ARG 61 Ca 0.28 0.04 -0.05 0.00 -1.93 0.00 0.00 57.85 56.19 2k2j n ARG 61 Cb 0.49 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 2k2j n ARG 61 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2k2j s GLY 62 N -4.52 -0.26 -0.01 -0.13 0.00 -1.11 -5.04 107.32 96.25 2k2j s GLY 62 Ca -0.03 1.75 0.03 0.00 0.00 0.00 0.00 44.72 46.47 2k2j s GLY 62 CO 0.83 0.65 -0.10 -0.42 0.00 0.00 0.00 173.10 174.05 2k2j s ILE 63 N -2.15 0.83 -0.54 0.90 1.01 -1.26 -1.85 121.20 118.13 2k2j s ILE 63 Ca 0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 2k2j s ILE 63 Cb -0.01 -0.69 0.13 0.00 0.01 0.00 0.00 42.46 41.90 2k2j s ILE 63 CO -0.05 0.23 0.48 -0.22 0.00 0.00 0.00 174.94 175.37 2k2j s LEU 64 N -0.27 6.09 0.54 2.97 2.96 0.11 -4.92 118.68 126.16 2k2j s LEU 64 Ca 0.04 -1.88 0.31 0.00 -0.22 0.00 0.00 54.13 52.37 2k2j s LEU 64 Cb -0.04 -2.16 1.47 0.00 0.50 0.00 0.00 46.19 45.97 2k2j s LEU 64 CO -0.00 -0.80 1.90 0.44 -1.32 0.00 0.00 176.35 176.57 2k2j h ASP 65 N 8.70 0.00 -0.87 3.68 5.19 -1.89 -2.52 116.42 128.70 2k2j h ASP 65 Ca -0.25 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2k2j h ASP 65 Cb 1.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 2k2j h ASP 65 CO 0.98 0.00 -0.02 0.18 -3.12 0.00 0.00 179.24 177.25 2k2j n LEU 66 N -4.26 0.00 0.00 1.55 4.77 -1.26 -4.63 117.00 113.16 2k2j n LEU 66 Ca 0.17 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2k2j n LEU 66 Cb 0.91 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2k2j n LEU 66 CO 0.38 -1.21 0.00 0.59 -1.33 0.00 0.00 177.39 175.82 2k2j n ASN 67 N -3.29 0.00 -0.24 -1.43 3.02 -1.24 -4.52 115.26 107.56 2k2j n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k2j n ASN 67 Cb 0.03 -1.78 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 2k2j n ASN 67 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k2j n THR 68 N -2.00 0.09 -3.94 3.41 5.66 -1.26 -4.96 114.28 111.28 2k2j n THR 68 Ca 0.00 -0.10 -0.24 0.00 -3.05 0.00 0.00 64.05 60.66 2k2j n THR 68 Cb 0.00 0.71 -0.05 0.00 -1.55 0.00 0.00 70.33 69.43 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2k2j s TYR 69 N -0.12 2.53 -0.11 1.09 1.51 -1.26 -0.06 117.35 120.92 2k2j s TYR 69 Ca 0.01 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 2k2j s TYR 69 Cb 0.01 -2.02 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 2k2j s TYR 69 CO 0.00 0.02 0.00 -0.80 -1.11 0.00 0.00 175.55 173.67 2k2j s ASN 70 N -4.01 2.02 0.05 2.29 0.01 0.58 -4.64 114.94 111.23 2k2j s ASN 70 Ca 0.42 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 52.15 2k2j s ASN 70 Cb 0.01 -0.52 -0.06 0.00 0.41 0.00 0.00 41.25 41.09 2k2j s ASN 70 CO 0.24 -0.22 0.38 0.68 -1.51 0.00 0.00 177.10 176.67 2k2j s VAL 71 N 1.92 5.11 -0.04 1.60 -7.23 -1.26 0.36 120.40 120.86 2k2j s VAL 71 Ca 0.03 0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 60.70 2k2j s VAL 71 Cb -0.14 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.19 2k2j s VAL 71 CO -0.06 0.38 0.04 0.68 -0.31 0.00 0.00 175.10 175.83 2k2j s VAL 72 N -1.30 -0.00 -0.48 1.32 -7.23 -0.16 -4.97 120.40 107.57 2k2j s VAL 72 Ca 0.30 0.35 -0.27 0.00 -1.81 0.00 0.00 61.98 60.54 2k2j s VAL 72 Cb -0.14 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 2k2j s VAL 72 CO 0.16 0.19 1.85 -0.75 -0.31 0.00 0.00 175.10 176.24 2k2j s LYS 73 N 2.03 2.94 -0.22 4.82 2.20 -1.26 -1.53 119.74 128.71 2k2j s LYS 73 Ca 0.04 1.02 -0.25 0.00 -0.36 0.00 0.00 55.97 56.41 2k2j s LYS 73 Cb -0.12 -4.30 -0.01 0.00 -1.51 0.00 0.00 37.83 31.89 2k2j s LYS 73 CO -0.03 -2.35 0.86 0.00 -0.36 0.00 0.00 175.35 173.47 2k2j s ALA 74 N 8.18 3.61 0.46 3.13 0.00 0.28 -4.99 121.76 132.44 2k2j s ALA 74 Ca 0.74 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.46 2k2j s ALA 74 Cb -0.17 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 2k2j s ALA 74 CO 0.27 -0.86 0.97 -2.14 0.00 0.00 0.00 175.76 174.00 2k2j s PRO 75 N 2.68 4.08 -1.53 0.00 0.02 -1.26 -2.71 135.00 136.29 2k2j s PRO 75 Ca 0.37 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2k2j s PRO 75 Cb -0.16 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.21 2k2j s PRO 75 CO 0.09 -0.16 0.00 1.04 -0.33 0.00 0.00 177.00 177.64 2k2j n GLN 76 N -0.99 -1.45 0.00 5.54 6.02 -0.62 -4.67 117.38 121.21 2k2j n GLN 76 Ca 0.07 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 2k2j n GLN 76 Cb 0.54 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.61 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 -0.38 0.96 0.85 1.08 0.00 0.25 -4.17 105.19 103.79 2k2j n GLY 77 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.70 1.61 4.81 -1.25 -4.87 118.16 114.75 2k2j n LYS 78 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2k2j n LYS 78 Cb 0.00 -0.30 -0.16 0.00 0.02 0.00 0.00 35.03 34.59 2k2j n LYS 78 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2k2j s ASN 79 N -3.88 3.47 -0.57 3.14 0.01 -1.26 -4.81 114.94 111.03 2k2j s ASN 79 Ca 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 50.92 2k2j s ASN 79 Cb 0.00 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 41.00 2k2j s ASN 79 CO 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 177.10 175.22 2k2j n GLN 80 N 5.00 -1.82 -4.50 -0.60 6.02 -1.26 -4.92 117.38 115.29 2k2j n GLN 80 Ca -0.06 0.63 -0.25 0.00 -0.01 0.00 0.00 57.00 57.31 2k2j n GLN 80 Cb 0.44 -4.91 -0.10 0.00 1.02 0.00 0.00 30.24 26.69 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k2j s LYS 81 N -2.28 1.82 0.00 -1.09 -0.14 -1.26 -5.05 119.74 111.74 2k2j s LYS 81 Ca 0.00 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 52.74 2k2j s LYS 81 Cb 0.00 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 2k2j s LYS 81 CO 0.00 0.19 0.00 0.43 -0.76 0.00 0.00 175.35 175.21 2k2j n SER 82 N -0.77 4.41 -3.98 2.83 7.64 -1.26 -3.06 113.62 119.43 2k2j n SER 82 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 2k2j n SER 82 Cb 0.63 0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 64.24 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 -1.85 3.45 0.04 1.43 0.08 -1.26 -0.58 117.98 119.29 2k2j s PHE 83 Ca 0.00 -2.85 0.04 0.00 0.12 0.00 0.00 56.93 54.24 2k2j s PHE 83 Cb 0.00 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 2k2j s PHE 83 CO 0.00 -0.93 -0.13 0.08 -0.10 0.00 0.00 175.22 174.15 2k2j s VAL 84 N 0.91 1.00 -0.12 -0.44 1.01 -1.10 -3.89 120.40 117.78 2k2j s VAL 84 Ca 0.11 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2k2j s VAL 84 Cb -0.19 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2k2j s VAL 84 CO -0.10 -0.06 -0.15 -0.36 0.00 0.00 0.00 175.10 174.44 2k2j s PHE 85 N -0.91 2.00 -0.13 5.22 0.40 -0.99 1.00 117.98 124.57 2k2j s PHE 85 Ca -0.00 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.27 2k2j s PHE 85 Cb -0.08 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2k2j s PHE 85 CO 0.01 -0.51 0.16 0.42 0.70 0.00 0.00 175.22 176.00 2k2j s ILE 86 N 1.08 5.46 -0.15 0.64 1.01 -0.59 -1.56 121.20 127.10 2k2j s ILE 86 Ca -0.04 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 2k2j s ILE 86 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2k2j s ILE 86 CO -0.03 0.58 0.09 -0.76 0.00 0.00 0.00 174.94 174.82 2k2j s LEU 87 N -0.77 4.04 -0.30 2.97 1.43 -0.00 -0.99 118.68 125.05 2k2j s LEU 87 Ca 0.15 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2k2j s LEU 87 Cb -0.12 -1.99 0.08 0.00 0.03 0.00 0.00 46.19 44.19 2k2j s LEU 87 CO 0.04 0.30 0.01 -1.61 0.23 0.00 0.00 176.35 175.31 2k2j s GLU 88 N -0.35 1.52 0.82 1.70 2.02 0.16 -2.37 118.70 122.20 2k2j s GLU 88 Ca 0.10 -1.44 -0.13 0.00 0.02 0.00 0.00 54.97 53.51 2k2j s GLU 88 Cb -0.12 -2.81 0.08 0.00 0.10 0.00 0.00 34.13 31.39 2k2j s GLU 88 CO 0.01 -0.80 1.14 -0.35 0.02 0.00 0.00 175.26 175.29 2k2j n PRO 89 N 4.48 0.12 0.00 0.39 -0.04 -1.26 -0.31 135.00 138.39 2k2j n PRO 89 Ca -0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k2j n PRO 89 Cb 0.42 -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 -3.19 -0.17 0.23 0.54 5.02 0.91 -4.81 118.16 116.68 2k2j n LYS 90 Ca 0.13 -0.52 -0.16 0.00 -2.02 0.00 0.00 58.31 55.74 2k2j n LYS 90 Cb 0.51 -0.86 -0.08 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.75 0.00 1.97 4.20 -1.93 -3.47 115.11 115.12 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 0.24 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.19 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 -5.48 0.00 -2.15 1.46 7.27 -1.26 -5.00 117.38 112.21 2k2j n GLN 92 Ca -0.10 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.99 2k2j n GLN 92 Cb 0.38 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.07 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 -1.24 1.38 3.78 1.69 0.00 -1.26 -5.11 105.19 104.43 2k2j n GLY 93 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.84 4.88 0.48 1.61 1.11 -1.26 -5.04 116.67 115.62 2k2j s ASP 94 Ca 0.30 1.83 -0.13 0.00 0.18 0.00 0.00 52.55 54.72 2k2j s ASP 94 Cb 0.35 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.75 2k2j s ASP 94 CO -0.11 -1.78 0.90 -2.16 1.18 0.00 0.00 175.17 173.21 2k2j s PRO 95 N -4.69 3.84 0.75 8.23 0.04 -1.26 -4.70 135.00 137.22 2k2j s PRO 95 Ca 0.62 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2k2j s PRO 95 Cb -0.17 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.19 2k2j s PRO 95 CO 0.51 -0.21 1.13 -1.25 0.04 0.00 0.00 177.00 177.22 2k2j s PRO 96 N -4.13 2.38 -0.04 0.56 0.04 -1.26 -4.60 135.00 127.95 2k2j s PRO 96 Ca 0.55 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 2k2j s PRO 96 Cb -0.10 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k2j s PRO 96 CO 0.34 -1.32 0.04 0.08 0.04 0.00 0.00 177.00 176.18 2k2j s VAL 97 N -3.46 0.02 0.12 -0.36 1.01 -1.00 -4.95 120.40 111.79 2k2j s VAL 97 Ca 0.60 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 2k2j s VAL 97 Cb -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2k2j s VAL 97 CO 0.50 0.18 0.48 -1.61 0.00 0.00 0.00 175.10 174.66 2k2j s GLU 98 N 1.92 3.86 0.15 2.72 8.01 -1.26 -0.82 118.70 133.27 2k2j s GLU 98 Ca 0.02 0.32 0.04 0.00 0.01 0.00 0.00 54.97 55.37 2k2j s GLU 98 Cb -0.12 -2.93 -0.04 0.00 -4.31 0.00 0.00 34.13 26.72 2k2j s GLU 98 CO -0.03 0.50 -0.08 -0.06 0.01 0.00 0.00 175.26 175.59 2k2j s PHE 99 N -1.47 1.22 0.18 1.61 0.40 -0.60 -2.42 117.98 116.91 2k2j s PHE 99 Ca 0.37 -0.81 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 2k2j s PHE 99 Cb -0.14 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.76 2k2j s PHE 99 CO 0.19 0.02 0.42 0.00 0.70 0.00 0.00 175.22 176.55 2k2j s ALA 100 N -3.40 -0.50 0.34 5.36 0.00 -0.43 -2.36 121.76 120.77 2k2j s ALA 100 Ca 0.17 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.66 2k2j s ALA 100 Cb 0.03 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2k2j s ALA 100 CO 0.00 -0.74 0.24 0.25 0.00 0.00 0.00 175.76 175.52 2k2j n THR 101 N -0.29 0.00 0.29 0.00 -2.24 -1.25 -3.11 114.28 107.68 2k2j n THR 101 Ca -0.09 -2.33 0.06 0.00 -2.27 0.00 0.00 64.05 59.42 2k2j n THR 101 Cb 0.63 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.70 1.33 -3.91 3.42 8.00 -1.26 -4.92 116.55 117.52 2k2j n ASP 102 Ca 0.05 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 55.01 2k2j n ASP 102 Cb 0.58 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.50 1.44 0.20 -1.24 0.52 -1.26 -5.05 118.95 111.05 2k2j s ARG 103 Ca 0.00 -1.65 0.10 0.00 -0.52 0.00 0.00 55.73 53.66 2k2j s ARG 103 Cb 0.09 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.90 2k2j s ARG 103 CO 0.51 -0.52 1.40 -0.24 0.02 0.00 0.00 175.30 176.47 2k2j h VAL 104 N 2.42 1.41 -0.02 3.52 3.04 -1.99 -3.07 116.25 121.56 2k2j h VAL 104 Ca -0.31 -2.80 -0.01 0.00 -1.01 0.00 0.00 66.70 62.57 2k2j h VAL 104 Cb 1.25 2.57 -0.00 0.00 -2.01 0.00 0.00 31.29 33.10 2k2j h VAL 104 CO 0.45 0.76 -0.01 1.05 -1.01 0.00 0.00 177.57 178.81 2k2j h GLU 105 N 0.00 0.05 0.00 4.17 4.11 -1.99 -2.23 114.58 118.68 2k2j h GLU 105 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2k2j h GLU 105 Cb 1.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2k2j h GLU 105 CO 0.10 0.46 -0.07 0.93 0.07 0.00 0.00 179.01 180.51 2k2j h GLU 106 N -0.37 0.00 0.35 1.06 5.08 -1.99 -0.52 114.58 118.20 2k2j h GLU 106 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2k2j h GLU 106 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k2j h GLU 106 CO 0.00 0.07 -0.17 1.25 -1.00 0.00 0.00 179.01 179.16 2k2j h LEU 107 N 0.00 -0.40 -1.33 1.33 5.85 -1.40 -2.08 115.31 117.29 2k2j h LEU 107 Ca -0.00 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 2k2j h LEU 107 Cb 0.20 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k2j h LEU 107 CO 0.01 0.05 -0.31 0.15 -0.34 0.00 0.00 178.44 178.00 2k2j h PHE 108 N -0.98 0.00 0.31 1.25 3.57 -1.22 -0.77 116.94 119.10 2k2j h PHE 108 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2k2j h PHE 108 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2k2j h PHE 108 CO 0.03 0.31 -0.15 1.49 -2.23 0.00 0.00 178.31 177.76 2k2j h GLU 109 N 0.00 -0.39 -0.16 1.11 4.57 -1.14 -2.38 114.58 116.19 2k2j h GLU 109 Ca -0.00 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 2k2j h GLU 109 Cb 0.65 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2k2j h GLU 109 CO 0.04 -0.13 -0.21 -1.49 -1.18 0.00 0.00 179.01 176.04 2k2j h TRP 110 N -1.03 0.51 -0.03 0.92 4.06 -1.41 -2.89 115.95 116.08 2k2j h TRP 110 Ca -0.04 -0.17 -0.12 0.00 2.06 0.00 0.00 58.89 60.63 2k2j h TRP 110 Cb 0.45 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 2k2j h TRP 110 CO 0.03 0.83 -0.52 0.74 -3.56 0.00 0.00 178.44 175.97 2k2j h PHE 111 N 0.04 0.11 -0.30 0.49 0.04 -1.30 -1.37 116.94 114.65 2k2j h PHE 111 Ca 0.02 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 2k2j h PHE 111 Cb 0.77 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2k2j h PHE 111 CO 0.09 0.59 -0.42 0.37 -0.60 0.00 0.00 178.31 178.33 2k2j h GLN 112 N 0.07 0.74 -0.39 1.51 -0.00 -1.47 -1.92 115.11 113.65 2k2j h GLN 112 Ca -0.00 -0.40 -0.11 0.00 -0.00 0.00 0.00 58.65 58.15 2k2j h GLN 112 Cb 0.94 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.43 2k2j h GLN 112 CO 0.07 1.02 -0.17 0.66 0.00 0.00 0.00 178.83 180.41 2k2j h SER 113 N 0.60 0.82 -0.45 -0.69 4.64 -1.32 0.12 113.55 117.27 2k2j h SER 113 Ca 0.04 -0.40 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2k2j h SER 113 Cb 0.98 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 2k2j h SER 113 CO 0.09 1.03 0.30 0.40 -0.87 0.00 0.00 176.83 177.79 2k2j h ILE 114 N 0.60 0.98 0.01 0.95 2.04 -1.14 0.42 117.51 121.37 2k2j h ILE 114 Ca 0.09 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 2k2j h ILE 114 Cb 0.72 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2k2j h ILE 114 CO 0.05 0.07 -0.91 0.03 0.00 0.00 0.00 178.15 177.39 2k2j h ARG 115 N 0.40 0.27 0.00 2.37 3.08 -0.87 -2.40 114.38 117.23 2k2j h ARG 115 Ca 0.19 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2k2j h ARG 115 Cb 0.27 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k2j h ARG 115 CO -0.05 1.02 0.03 0.93 -1.07 0.00 0.00 179.97 180.83 2k2j h GLU 116 N 0.15 0.00 0.00 0.04 5.08 0.15 0.59 114.58 120.59 2k2j h GLU 116 Ca -0.06 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 2k2j h GLU 116 Cb 1.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.75 2k2j h GLU 116 CO 0.15 0.00 -2.08 -0.89 -1.00 0.00 0.00 179.01 175.19 2k2j n ILE 117 N -2.84 1.08 -0.08 3.13 5.41 -1.05 -4.32 119.36 120.69 2k2j n ILE 117 Ca -0.02 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.15 2k2j n ILE 117 Cb 0.09 -0.98 -0.02 0.00 -0.71 0.00 0.00 39.64 38.01 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 -2.89 1.33 0.24 1.39 -2.24 -0.91 -3.62 114.28 107.57 2k2j n THR 118 Ca -0.31 0.19 0.17 0.00 -2.27 0.00 0.00 64.05 61.83 2k2j n THR 118 Cb 0.91 -2.27 0.87 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.89 0.00 -3.57 4.78 2.91 -0.19 -3.41 115.95 115.57 2k2j h TRP 119 Ca 0.00 0.00 -0.68 0.00 1.13 0.00 0.00 58.89 59.34 2k2j h TRP 119 Cb 0.81 0.00 -0.20 0.00 -0.51 0.00 0.00 29.16 29.26 2k2j h TRP 119 CO -0.35 0.00 -0.69 0.15 -1.03 0.00 0.00 178.44 176.52 2k2j s LYS 120 N -4.59 2.94 -0.20 2.65 -0.14 0.78 -4.98 119.74 116.20 2k2j s LYS 120 Ca -0.05 -0.54 -0.03 0.00 -1.36 0.00 0.00 55.97 53.99 2k2j s LYS 120 Cb 0.15 -2.65 0.06 0.00 -1.68 0.00 0.00 37.83 33.71 2k2j s LYS 120 CO 0.53 0.58 0.05 0.42 -0.76 0.00 0.00 175.35 176.16 2k2j s ILE 121 N -0.57 0.45 0.69 2.17 1.01 -1.26 -4.45 121.20 119.25 2k2j s ILE 121 Ca 0.09 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 2k2j s ILE 121 Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2k2j s ILE 121 CO 0.02 -0.28 1.25 -1.81 0.00 0.00 0.00 174.94 174.12 2k2j s ASP 122 N 1.88 4.40 0.01 3.58 1.11 -1.26 -4.98 116.67 121.41 2k2j s ASP 122 Ca 0.01 2.50 -0.21 0.00 0.18 0.00 0.00 52.55 55.02 2k2j s ASP 122 Cb -0.17 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.16 2k2j s ASP 122 CO -0.11 -2.13 0.63 0.42 1.18 0.00 0.00 175.17 175.16 2k2j s THR 123 N -1.68 4.87 0.00 -1.27 -4.23 -1.26 -5.30 115.64 106.78 2k2j s THR 123 Ca 0.79 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 62.61 2k2j s THR 123 Cb -0.33 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2k2j s THR 123 CO 0.42 0.41 0.00 1.17 -0.54 0.00 0.00 174.62 176.08