#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 4.23 -0.00 1.97 -0.14 -1.26 -4.90 119.74 119.63 2k2j s LYS 9 Ca 0.00 2.39 0.01 0.00 -1.36 0.00 0.00 55.97 57.01 2k2j s LYS 9 Cb 0.00 -3.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2k2j s LYS 9 CO 0.00 -0.43 0.68 -0.40 -0.76 0.00 0.00 175.35 174.45 2k2j n ASP 10 N 1.50 0.24 -2.59 2.83 5.75 -1.26 -5.09 116.55 117.92 2k2j n ASP 10 Ca 0.04 -1.39 -0.06 0.00 -0.01 0.00 0.00 54.79 53.37 2k2j n ASP 10 Cb 0.40 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k2j n GLU 11 N -0.09 -4.70 -3.61 0.11 1.02 -1.26 -5.04 120.64 107.07 2k2j n GLU 11 Ca 0.00 3.52 -0.25 0.00 -0.02 0.00 0.00 57.16 60.42 2k2j n GLU 11 Cb 0.53 -5.09 -0.17 0.00 -0.02 0.00 0.00 31.44 26.69 2k2j n GLU 11 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k2j s HIS 12 N -0.66 0.14 -0.10 -0.32 2.46 -1.26 -5.13 115.29 110.41 2k2j s HIS 12 Ca -0.28 -0.18 0.02 0.00 0.47 0.00 0.00 55.06 55.08 2k2j s HIS 12 Cb 0.02 -0.63 -0.01 0.00 -0.13 0.00 0.00 32.58 31.82 2k2j s HIS 12 CO 0.77 -0.47 -0.17 0.15 -2.47 0.00 0.00 174.74 172.55 2k2j s LYS 13 N 2.16 3.06 -0.37 2.88 1.02 -1.26 -5.09 119.74 122.14 2k2j s LYS 13 Ca 0.03 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2k2j s LYS 13 Cb -0.15 -2.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2k2j s LYS 13 CO -0.08 0.30 0.35 -1.14 -0.92 0.00 0.00 175.35 173.86 2k2j s GLN 14 N 0.10 3.39 -0.01 1.68 2.00 -1.26 -5.00 119.66 120.57 2k2j s GLN 14 Ca -0.08 -0.58 0.02 0.00 -2.00 0.00 0.00 55.36 52.72 2k2j s GLN 14 Cb -0.15 -3.86 -0.00 0.00 0.80 0.00 0.00 33.01 29.80 2k2j s GLN 14 CO 0.05 -0.60 -0.07 -0.65 -0.50 0.00 0.00 175.29 173.52 2k2j s GLN 15 N 1.96 0.63 0.00 1.67 -0.21 -1.26 -2.26 119.66 120.19 2k2j s GLN 15 Ca 0.10 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.22 2k2j s GLN 15 Cb -0.17 -0.61 0.00 0.00 1.00 0.00 0.00 33.01 33.23 2k2j s GLN 15 CO 0.12 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 2k2j n GLY 16 N 2.97 -0.12 2.97 3.09 0.00 -0.40 -4.98 105.19 108.72 2k2j n GLY 16 Ca -0.14 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 0.29 0.35 1.61 2.02 -1.26 -0.70 118.70 121.01 2k2j s GLU 17 Ca 0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 2k2j s GLU 17 Cb 0.00 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.28 2k2j s GLU 17 CO 0.00 -0.03 0.51 -0.51 0.02 0.00 0.00 175.26 175.25 2k2j s LEU 18 N -1.24 0.95 0.02 1.80 1.43 -0.92 -4.82 118.68 115.90 2k2j s LEU 18 Ca -0.13 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 51.54 2k2j s LEU 18 Cb -0.08 1.59 -0.02 0.00 0.03 0.00 0.00 46.19 47.71 2k2j s LEU 18 CO -0.01 -1.34 -0.12 -0.31 0.23 0.00 0.00 176.35 174.80 2k2j s TYR 19 N -2.95 1.10 0.11 0.29 2.02 -1.22 -2.61 117.35 114.08 2k2j s TYR 19 Ca 0.29 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 2k2j s TYR 19 Cb -0.01 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2k2j s TYR 19 CO 0.20 0.00 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.41 2k2j s MET 20 N -0.76 0.97 0.06 -0.62 -1.94 -1.25 -2.31 119.30 113.47 2k2j s MET 20 Ca 0.02 -1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 52.50 2k2j s MET 20 Cb -0.06 -0.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.89 2k2j s MET 20 CO 0.00 0.16 1.02 -0.46 -0.01 0.00 0.00 175.02 175.73 2k2j s TRP 21 N -2.11 3.67 -0.35 -0.03 -0.00 -0.94 -3.64 118.94 115.55 2k2j s TRP 21 Ca 0.07 1.66 0.02 0.00 -0.00 0.00 0.00 56.10 57.85 2k2j s TRP 21 Cb -0.05 -3.16 0.10 0.00 -0.00 0.00 0.00 33.47 30.36 2k2j s TRP 21 CO 0.02 -0.19 0.07 -0.51 -0.00 0.00 0.00 176.95 176.34 2k2j s ASP 22 N 0.57 4.87 0.00 5.86 1.11 -0.86 -4.83 116.67 123.38 2k2j s ASP 22 Ca 0.51 -2.00 0.21 0.00 0.18 0.00 0.00 52.55 51.45 2k2j s ASP 22 Cb -0.24 -1.68 1.04 0.00 1.07 0.00 0.00 42.92 43.12 2k2j s ASP 22 CO 0.30 -0.39 1.66 -1.54 1.18 0.00 0.00 175.17 176.37 2k2j n SER 23 N 4.37 0.00 0.01 0.27 3.41 -1.26 0.51 113.62 120.94 2k2j n SER 23 Ca -0.00 0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 2k2j n SER 23 Cb 0.42 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.23 -0.01 -1.33 2.04 -1.95 -3.34 117.51 114.15 2k2j h ILE 24 Ca 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2k2j h ILE 24 Cb 0.20 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2k2j h ILE 24 CO 0.00 0.29 -0.01 0.47 0.00 0.00 0.00 178.15 178.89 2k2j n ASP 25 N -4.88 1.73 -3.25 1.72 9.92 -1.21 -5.03 116.55 115.56 2k2j n ASP 25 Ca -0.09 -1.37 -0.07 0.00 -0.53 0.00 0.00 54.79 52.74 2k2j n ASP 25 Cb 0.27 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 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 0.47 -1.39 -3.84 -1.24 1.13 0.18 -5.02 117.38 107.68 2k2j n GLN 26 Ca 0.05 1.30 -0.03 0.00 -1.94 0.00 0.00 57.00 56.38 2k2j n GLN 26 Cb 0.23 -4.90 0.01 0.00 0.11 0.00 0.00 30.24 25.69 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 -3.53 1.29 -0.16 -1.09 -2.85 -0.99 -5.00 119.74 107.41 2k2j s LYS 27 Ca 0.01 -0.80 -0.06 0.00 -1.00 0.00 0.00 55.97 54.13 2k2j s LYS 27 Cb -0.00 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2k2j s LYS 27 CO 0.79 -0.60 0.03 -1.58 0.10 0.00 0.00 175.35 174.09 2k2j s TRP 28 N -2.50 3.19 0.01 1.78 0.52 -1.26 -2.04 118.94 118.64 2k2j s TRP 28 Ca 0.19 -0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.34 2k2j s TRP 28 Cb -0.02 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 2k2j s TRP 28 CO 0.04 0.14 -0.12 0.95 0.02 0.00 0.00 176.95 177.98 2k2j s THR 29 N 0.22 3.22 -0.22 2.01 -4.23 -1.24 -5.01 115.64 110.39 2k2j s THR 29 Ca 0.02 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 2k2j s THR 29 Cb -0.13 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 2k2j s THR 29 CO 0.01 0.40 0.67 -0.60 -0.54 0.00 0.00 174.62 174.56 2k2j s ARG 30 N -1.34 4.18 -0.03 3.99 3.52 -1.26 -3.79 118.95 124.21 2k2j s ARG 30 Ca 0.15 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 2k2j s ARG 30 Cb -0.11 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 2k2j s ARG 30 CO 0.06 -0.35 -0.11 -3.38 -0.81 0.00 0.00 175.30 170.71 2k2j s HIS 31 N 2.28 1.15 -0.55 5.12 -3.43 -1.07 -3.61 115.29 115.17 2k2j s HIS 31 Ca 0.29 -0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 53.96 2k2j s HIS 31 Cb -0.16 -0.82 0.00 0.00 -1.43 0.00 0.00 32.58 30.18 2k2j s HIS 31 CO 0.09 -0.14 1.55 -0.47 -2.00 0.00 0.00 174.74 173.78 2k2j s TYR 32 N 0.25 2.09 0.48 0.38 5.04 -1.26 -2.17 117.35 122.16 2k2j s TYR 32 Ca -0.05 0.53 -0.09 0.00 -2.44 0.00 0.00 57.07 55.02 2k2j s TYR 32 Cb -0.10 -4.30 -0.05 0.00 0.35 0.00 0.00 41.96 37.85 2k2j s TYR 32 CO 0.01 -2.17 0.84 0.00 -1.34 0.00 0.00 175.55 172.89 2k2j s ALA 34 N -2.67 -2.43 -0.50 0.00 0.00 -1.16 -1.27 121.76 113.75 2k2j s ALA 34 Ca 0.51 1.98 -0.23 0.00 0.00 0.00 0.00 51.96 54.22 2k2j s ALA 34 Cb -0.10 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.97 2k2j s ALA 34 CO 0.40 -1.17 0.82 0.42 0.00 0.00 0.00 175.76 176.23 2k2j s ILE 35 N 2.82 4.58 -0.25 0.00 1.01 -0.96 -1.90 121.20 126.50 2k2j s ILE 35 Ca 0.06 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 2k2j s ILE 35 Cb -0.12 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2k2j s ILE 35 CO -0.18 -0.88 0.09 0.00 0.00 0.00 0.00 174.94 173.96 2k2j s ALA 36 N 3.44 3.22 0.00 9.38 0.00 0.31 -4.47 121.76 133.64 2k2j s ALA 36 Ca 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2k2j s ALA 36 Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2k2j s ALA 36 CO 0.20 -0.49 0.00 -0.25 0.00 0.00 0.00 175.76 175.22 2k2j n ASP 37 N 4.93 0.00 0.00 0.00 9.92 -1.26 -1.38 116.55 128.76 2k2j n ASP 37 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2k2j n ASP 37 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 2.78 0.12 -2.74 2.24 0.00 -1.26 -5.09 120.51 116.57 2k2j n ALA 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2k2j n ALA 38 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.06 2.88 -0.28 0.00 1.02 -0.48 -4.51 119.74 118.32 2k2j s LYS 39 Ca 0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 55.97 55.31 2k2j s LYS 39 Cb 0.00 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2k2j s LYS 39 CO 0.00 0.61 0.07 -1.17 -0.92 0.00 0.00 175.35 173.95 2k2j s LEU 40 N -1.86 3.67 -0.27 3.17 2.96 -0.78 -0.53 118.68 125.04 2k2j s LEU 40 Ca 0.23 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 2k2j s LEU 40 Cb -0.12 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.68 2k2j s LEU 40 CO 0.15 -0.13 0.04 -0.44 -1.32 0.00 0.00 176.35 174.65 2k2j s SER 41 N 1.54 4.91 -0.11 3.68 0.01 -0.80 0.07 113.70 123.00 2k2j s SER 41 Ca 0.04 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 2k2j s SER 41 Cb -0.16 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2k2j s SER 41 CO 0.03 -0.13 0.18 0.72 0.41 0.00 0.00 173.24 174.45 2k2j s PHE 42 N 1.50 3.59 0.69 2.43 -0.12 -0.72 -2.97 117.98 122.39 2k2j s PHE 42 Ca 0.03 0.58 -0.03 0.00 -0.05 0.00 0.00 56.93 57.46 2k2j s PHE 42 Cb -0.16 -2.03 0.09 0.00 -0.63 0.00 0.00 43.02 40.29 2k2j s PHE 42 CO 0.01 0.66 0.97 -1.54 -0.05 0.00 0.00 175.22 175.27 2k2j s SER 43 N -0.84 4.62 0.89 1.98 1.04 -0.98 -1.47 113.70 118.93 2k2j s SER 43 Ca 0.16 0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 2k2j s SER 43 Cb -0.13 -0.58 0.12 0.00 0.10 0.00 0.00 66.02 65.54 2k2j s SER 43 CO 0.05 -1.67 1.10 1.51 0.98 0.00 0.00 173.24 175.20 2k2j s ASP 44 N -4.60 3.58 0.31 7.02 -4.77 -1.16 -4.25 116.67 112.79 2k2j s ASP 44 Ca 0.63 1.38 -0.26 0.00 -3.30 0.00 0.00 52.55 51.00 2k2j s ASP 44 Cb -0.08 -2.07 -0.14 0.00 -1.09 0.00 0.00 42.92 39.54 2k2j s ASP 44 CO 0.44 -2.55 0.72 0.47 0.70 0.00 0.00 175.17 174.94 2k2j n ASP 45 N -3.82 -0.11 -0.63 2.11 9.92 -1.26 -4.58 116.55 118.18 2k2j n ASP 45 Ca 0.07 1.08 0.07 0.00 -0.53 0.00 0.00 54.79 55.47 2k2j n ASP 45 Cb 0.56 -1.14 0.11 0.00 -0.64 0.00 0.00 41.12 40.00 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2k2j n ILE 46 N -0.20 0.38 0.00 0.53 -5.35 -1.24 -4.58 119.36 108.90 2k2j n ILE 46 Ca 0.12 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2k2j n ILE 46 Cb 0.33 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 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 0.75 0.00 -0.79 6.28 0.28 -1.26 -4.92 120.64 120.99 2k2j n GLU 47 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.97 2k2j n GLU 47 Cb 0.39 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.39 2k2j n GLU 47 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2k2j n GLN 48 N -0.98 2.07 -1.67 3.44 -0.06 -1.26 -4.96 117.38 113.95 2k2j n GLN 48 Ca 0.00 -2.01 -0.48 0.00 -2.00 0.00 0.00 57.00 52.51 2k2j n GLN 48 Cb 0.00 -1.81 -0.05 0.00 -4.06 0.00 0.00 30.24 24.32 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k2j n THR 49 N -0.46 0.57 -3.46 1.69 -2.24 -1.26 -4.91 114.28 104.22 2k2j n THR 49 Ca 0.37 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.59 2k2j n THR 49 Cb 1.23 -1.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 2k2j n THR 49 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2k2j s MET 50 N 4.29 2.89 0.00 -0.78 -1.94 -1.26 -5.04 119.30 117.46 2k2j s MET 50 Ca 0.94 -2.02 -0.00 0.00 -1.71 0.00 0.00 55.69 52.89 2k2j s MET 50 Cb -0.67 -4.12 -0.00 0.00 2.01 0.00 0.00 34.83 32.05 2k2j s MET 50 CO 0.51 -1.25 -0.00 -1.21 -0.01 0.00 0.00 175.02 173.06 2k2j s GLU 51 N 0.94 0.01 -0.14 2.03 2.02 -1.26 -5.03 118.70 117.27 2k2j s GLU 51 Ca 0.09 -0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.87 2k2j s GLU 51 Cb -0.22 0.00 -0.24 0.00 0.10 0.00 0.00 34.13 33.77 2k2j s GLU 51 CO -0.02 -0.00 0.48 0.93 0.02 0.00 0.00 175.26 176.66 2k2j h GLU 52 N 6.10 0.12 0.00 1.61 5.08 -2.01 -3.39 114.58 122.09 2k2j h GLU 52 Ca -0.24 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k2j h GLU 52 Cb 1.21 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k2j h GLU 52 CO 0.51 1.10 -0.00 -3.47 -1.00 0.00 0.00 179.01 176.14 2k2j n ASP 53 N -4.20 1.93 -3.19 1.42 2.03 -1.26 -5.03 116.55 108.25 2k2j n ASP 53 Ca -0.25 -2.03 -0.09 0.00 0.52 0.00 0.00 54.79 52.94 2k2j n ASP 53 Cb 0.76 -0.03 0.04 0.00 -0.72 0.00 0.00 41.12 41.16 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 -0.54 -7.10 -3.00 1.67 5.03 -1.26 -5.02 115.26 105.03 2k2j n ASN 54 Ca 0.01 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 55.02 2k2j n ASN 54 Cb 0.29 -5.14 0.00 0.00 -1.02 0.00 0.00 39.78 33.91 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2k2j n PRO 55 N -2.60 0.09 -1.94 3.52 -0.02 -1.26 -4.92 135.00 127.87 2k2j n PRO 55 Ca -0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 2k2j n PRO 55 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 2k2j n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k2j s LEU 56 N 0.00 4.37 -0.04 2.45 2.96 -1.26 -4.88 118.68 122.27 2k2j s LEU 56 Ca 0.00 2.51 -0.00 0.00 -0.22 0.00 0.00 54.13 56.42 2k2j s LEU 56 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2k2j s LEU 56 CO 0.00 -0.86 -0.04 0.61 -1.32 0.00 0.00 176.35 174.74 2k2j n GLY 57 N 3.92 -0.06 7.00 7.98 0.00 -1.26 -5.13 105.19 117.64 2k2j n GLY 57 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2k2j n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k2j n SER 58 N -2.73 -5.19 0.00 1.61 7.64 -1.26 -4.78 113.62 108.92 2k2j n SER 58 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2k2j n SER 58 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2j n LEU 59 N 0.00 0.20 -4.61 -3.43 7.94 -1.26 -4.68 117.00 111.16 2k2j n LEU 59 Ca 0.00 0.05 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 2k2j n LEU 59 Cb 0.00 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 2k2j n LEU 59 CO 0.00 -0.30 1.70 0.00 -1.11 0.00 0.00 177.39 177.68 2k2j n ARG 61 N 8.43 0.65 -3.60 0.00 3.00 -0.54 -4.92 116.66 119.68 2k2j n ARG 61 Ca 0.26 0.23 -0.07 0.00 -0.00 0.00 0.00 57.85 58.27 2k2j n ARG 61 Cb 0.45 -1.72 -0.02 0.00 0.00 0.00 0.00 32.46 31.17 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 -5.25 -0.38 0.02 5.14 0.00 -0.97 -5.02 107.32 100.85 2k2j s GLY 62 Ca -0.08 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.26 2k2j s GLY 62 CO 0.82 0.18 -0.09 -0.42 0.00 0.00 0.00 173.10 173.59 2k2j s ILE 63 N -3.28 0.70 -0.36 0.90 1.01 -1.26 -1.75 121.20 117.17 2k2j s ILE 63 Ca 0.07 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2k2j s ILE 63 Cb -0.01 -0.64 0.07 0.00 0.01 0.00 0.00 42.46 41.89 2k2j s ILE 63 CO -0.05 -0.00 0.11 -0.22 0.00 0.00 0.00 174.94 174.78 2k2j s LEU 64 N -0.74 4.58 0.34 2.97 2.96 0.11 -4.95 118.68 123.95 2k2j s LEU 64 Ca -0.00 -1.58 0.12 0.00 -0.22 0.00 0.00 54.13 52.45 2k2j s LEU 64 Cb -0.06 -1.80 0.99 0.00 0.50 0.00 0.00 46.19 45.82 2k2j s LEU 64 CO 0.00 -0.40 1.71 -2.24 -1.32 0.00 0.00 176.35 174.10 2k2j h ASP 65 N 8.07 0.59 0.00 3.68 3.04 -1.89 -2.07 116.42 127.84 2k2j h ASP 65 Ca -0.18 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k2j h ASP 65 Cb 1.06 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2k2j h ASP 65 CO 0.62 0.01 0.00 0.18 -2.04 0.00 0.00 179.24 178.02 2k2j n LEU 66 N -4.92 0.92 -0.00 0.15 4.77 -1.26 -4.39 117.00 112.27 2k2j n LEU 66 Ca 0.29 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 2k2j n LEU 66 Cb 0.85 -1.90 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2k2j n LEU 66 CO 0.15 -0.71 -0.20 0.59 -1.33 0.00 0.00 177.39 175.89 2k2j n ASN 67 N -0.49 0.81 -3.20 -1.43 4.13 -1.26 -3.76 115.26 110.05 2k2j n ASN 67 Ca 0.00 -0.75 -0.24 0.00 1.68 0.00 0.00 54.58 55.27 2k2j n ASN 67 Cb 0.25 1.20 -0.07 0.00 -1.54 0.00 0.00 39.78 39.62 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 -1.62 -0.51 -3.93 3.41 -2.24 -1.26 -4.99 114.28 103.13 2k2j n THR 68 Ca 0.02 -4.10 -0.08 0.00 -2.27 0.00 0.00 64.05 57.62 2k2j n THR 68 Cb 0.35 -1.90 -0.04 0.00 -2.10 0.00 0.00 70.33 66.65 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 -1.30 0.11 -0.03 4.78 2.02 -1.26 -0.94 117.35 120.73 2k2j s TYR 69 Ca 0.35 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2k2j s TYR 69 Cb 0.18 0.45 0.03 0.00 -0.40 0.00 0.00 41.96 42.21 2k2j s TYR 69 CO -0.10 -1.13 -0.01 -0.80 -1.57 0.00 0.00 175.55 171.94 2k2j s ASN 70 N -2.98 0.50 -0.20 2.29 0.01 0.51 -4.81 114.94 110.26 2k2j s ASN 70 Ca 0.17 -0.04 -0.14 0.00 -0.71 0.00 0.00 52.86 52.14 2k2j s ASN 70 Cb -0.03 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 2k2j s ASN 70 CO 0.08 -0.09 0.33 -0.69 -1.51 0.00 0.00 177.10 175.22 2k2j s VAL 71 N 1.00 5.25 -0.08 1.60 1.01 -1.26 -0.52 120.40 127.39 2k2j s VAL 71 Ca -0.10 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2k2j s VAL 71 Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2k2j s VAL 71 CO -0.01 0.30 -0.03 0.68 0.00 0.00 0.00 175.10 176.03 2k2j s VAL 72 N 1.10 0.61 -0.50 2.92 -7.23 -0.59 -4.99 120.40 111.73 2k2j s VAL 72 Ca 0.16 -0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 2k2j s VAL 72 Cb -0.14 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 2k2j s VAL 72 CO 0.06 0.29 1.73 -0.75 -0.31 0.00 0.00 175.10 176.12 2k2j s LYS 73 N 1.78 3.04 -0.22 4.82 2.20 -1.26 -1.24 119.74 128.86 2k2j s LYS 73 Ca 0.03 0.86 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 2k2j s LYS 73 Cb -0.13 -4.25 -0.01 0.00 -1.51 0.00 0.00 37.83 31.93 2k2j s LYS 73 CO -0.06 -2.22 0.80 0.00 -0.36 0.00 0.00 175.35 173.51 2k2j s ALA 74 N 7.56 3.61 0.55 3.13 0.00 0.28 -4.98 121.76 131.91 2k2j s ALA 74 Ca 0.68 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 2k2j s ALA 74 Cb -0.15 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2k2j s ALA 74 CO 0.26 -0.83 0.98 -2.14 0.00 0.00 0.00 175.76 174.04 2k2j s PRO 75 N 2.60 3.77 -1.37 0.00 0.02 -1.26 -2.70 135.00 136.04 2k2j s PRO 75 Ca 0.35 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2k2j s PRO 75 Cb -0.16 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2k2j s PRO 75 CO 0.09 -0.39 0.00 1.04 -0.33 0.00 0.00 177.00 177.41 2k2j n GLN 76 N -2.12 -1.48 0.00 5.54 6.02 -0.94 -4.66 117.38 119.74 2k2j n GLN 76 Ca 0.06 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2k2j n GLN 76 Cb 0.54 -5.09 0.00 0.00 1.02 0.00 0.00 30.24 26.71 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 -0.09 1.34 0.00 1.08 0.00 0.77 -4.37 105.19 103.91 2k2j n GLY 77 Ca -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.33 0.00 -3.50 1.61 4.81 -1.25 -4.86 118.16 117.30 2k2j n LYS 78 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2k2j n LYS 78 Cb 0.00 -0.16 -0.13 0.00 0.02 0.00 0.00 35.03 34.76 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 -1.27 3.08 -1.66 3.14 0.01 -1.26 -4.86 114.94 112.13 2k2j s ASN 79 Ca 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 50.68 2k2j s ASN 79 Cb 0.00 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.44 2k2j s ASN 79 CO 0.00 -0.39 0.00 0.00 -1.51 0.00 0.00 177.10 175.20 2k2j n GLN 80 N 4.91 -1.44 -4.52 -0.60 6.02 -1.26 -4.93 117.38 115.55 2k2j n GLN 80 Ca -0.00 0.96 -0.25 0.00 -0.01 0.00 0.00 57.00 57.70 2k2j n GLN 80 Cb 0.41 -5.27 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 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 -3.29 1.77 0.00 -1.09 -0.14 -1.26 -5.06 119.74 110.67 2k2j s LYS 81 Ca 0.00 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 2k2j s LYS 81 Cb 0.00 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.78 2k2j s LYS 81 CO 0.00 -0.02 0.00 0.43 -0.76 0.00 0.00 175.35 175.00 2k2j n SER 82 N -0.79 3.93 -4.15 2.83 7.64 -1.26 -3.28 113.62 118.54 2k2j n SER 82 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.46 2k2j n SER 82 Cb 0.65 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.95 3.52 0.03 1.43 0.08 -1.26 -0.17 117.98 119.66 2k2j s PHE 83 Ca 0.00 -2.21 0.04 0.00 0.12 0.00 0.00 56.93 54.88 2k2j s PHE 83 Cb 0.00 -3.19 -0.02 0.00 -0.57 0.00 0.00 43.02 39.24 2k2j s PHE 83 CO 0.00 -0.96 -0.12 0.08 -0.10 0.00 0.00 175.22 174.12 2k2j s VAL 84 N 1.21 0.93 -0.10 -0.44 1.01 -1.10 -3.95 120.40 117.97 2k2j s VAL 84 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2k2j s VAL 84 Cb -0.23 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2k2j s VAL 84 CO -0.03 0.02 -0.18 -0.36 0.00 0.00 0.00 175.10 174.55 2k2j s PHE 85 N -0.72 2.13 -0.13 5.22 0.40 -0.82 0.10 117.98 124.16 2k2j s PHE 85 Ca 0.01 -0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 55.34 2k2j s PHE 85 Cb -0.07 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2k2j s PHE 85 CO 0.01 -0.43 0.12 0.42 0.70 0.00 0.00 175.22 176.04 2k2j s ILE 86 N 0.69 5.35 -0.20 0.64 1.01 -0.38 -1.38 121.20 126.94 2k2j s ILE 86 Ca -0.12 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 2k2j s ILE 86 Cb -0.16 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2k2j s ILE 86 CO 0.03 0.60 0.07 -0.76 0.00 0.00 0.00 174.94 174.87 2k2j s LEU 87 N -0.85 3.68 -0.36 2.97 1.43 0.06 -1.54 118.68 124.07 2k2j s LEU 87 Ca 0.14 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2k2j s LEU 87 Cb -0.12 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.22 2k2j s LEU 87 CO 0.03 0.10 0.12 -1.61 0.23 0.00 0.00 176.35 175.23 2k2j s GLU 88 N 0.80 2.33 0.38 1.70 2.02 0.32 -2.08 118.70 124.17 2k2j s GLU 88 Ca 0.03 -1.47 -0.28 0.00 0.02 0.00 0.00 54.97 53.28 2k2j s GLU 88 Cb -0.14 -3.45 -0.11 0.00 0.10 0.00 0.00 34.13 30.54 2k2j s GLU 88 CO 0.02 -0.83 1.49 -1.25 0.02 0.00 0.00 175.26 174.71 2k2j s PRO 89 N 1.26 4.08 0.00 0.39 0.04 -1.26 -0.36 135.00 139.15 2k2j s PRO 89 Ca 0.01 2.57 0.19 0.00 0.04 0.00 0.00 61.00 63.81 2k2j s PRO 89 Cb -0.21 -2.95 0.50 0.00 0.04 0.00 0.00 34.50 31.88 2k2j s PRO 89 CO -0.01 -0.56 1.42 1.63 0.04 0.00 0.00 177.00 179.52 2k2j n LYS 90 N 0.41 2.67 0.29 4.56 5.02 -0.11 -4.39 118.16 126.60 2k2j n LYS 90 Ca 0.01 -2.39 -0.15 0.00 -2.02 0.00 0.00 58.31 53.76 2k2j n LYS 90 Cb 0.39 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 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 3.62 -0.71 0.00 1.97 4.15 -1.92 -3.45 115.11 118.76 2k2j h GLN 91 Ca 0.00 0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2k2j h GLN 91 Cb 0.90 0.16 -0.13 0.00 0.21 0.00 0.00 27.48 28.63 2k2j h GLN 91 CO 0.00 -0.41 -0.01 0.00 -1.93 0.00 0.00 178.83 176.49 2k2j n GLN 92 N -5.31 0.12 -0.96 1.69 10.64 -1.26 -4.94 117.38 117.35 2k2j n GLN 92 Ca -0.11 -0.68 0.00 0.00 -1.83 0.00 0.00 57.00 54.38 2k2j n GLN 92 Cb 0.33 -0.19 0.00 0.00 -0.86 0.00 0.00 30.24 29.52 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 1.28 0.00 3.18 2.61 0.00 -1.26 -4.92 105.19 106.09 2k2j n GLY 93 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2k2j n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2j n ASP 94 N -0.86 -4.05 -4.75 1.61 9.92 -1.26 -4.88 116.55 112.28 2k2j n ASP 94 Ca 0.00 0.21 -0.38 0.00 -0.53 0.00 0.00 54.79 54.09 2k2j n ASP 94 Cb 0.48 -0.94 0.04 0.00 -0.64 0.00 0.00 41.12 40.06 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 -2.75 3.14 0.66 -0.24 0.04 -1.26 -4.56 135.00 130.04 2k2j s PRO 95 Ca 0.47 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.66 2k2j s PRO 95 Cb -0.17 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.17 2k2j s PRO 95 CO 0.75 -1.18 0.97 -1.25 0.04 0.00 0.00 177.00 176.33 2k2j s PRO 96 N -2.92 2.46 -0.06 0.56 0.04 -1.26 -4.57 135.00 129.24 2k2j s PRO 96 Ca 0.72 -0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 2k2j s PRO 96 Cb -0.40 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 31.96 2k2j s PRO 96 CO 0.47 -1.05 -0.03 0.08 0.04 0.00 0.00 177.00 176.51 2k2j s VAL 97 N -3.15 0.52 0.15 -0.36 1.01 -0.89 -4.96 120.40 112.71 2k2j s VAL 97 Ca 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 2k2j s VAL 97 Cb -0.11 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 2k2j s VAL 97 CO 0.45 0.25 0.45 -1.61 0.00 0.00 0.00 175.10 174.64 2k2j s GLU 98 N 1.41 3.75 0.08 2.72 8.01 -1.26 -0.76 118.70 132.65 2k2j s GLU 98 Ca -0.03 0.16 0.03 0.00 0.01 0.00 0.00 54.97 55.14 2k2j s GLU 98 Cb -0.13 -2.85 -0.03 0.00 -4.31 0.00 0.00 34.13 26.80 2k2j s GLU 98 CO -0.03 0.46 -0.09 -0.06 0.01 0.00 0.00 175.26 175.55 2k2j s PHE 99 N -1.59 0.92 0.19 1.61 0.40 -0.48 -2.21 117.98 116.82 2k2j s PHE 99 Ca 0.40 -0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 2k2j s PHE 99 Cb -0.13 -0.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.88 2k2j s PHE 99 CO 0.21 -0.06 0.38 0.00 0.70 0.00 0.00 175.22 176.45 2k2j s ALA 100 N -2.51 -0.24 0.00 5.36 0.00 -0.98 -1.95 121.76 121.45 2k2j s ALA 100 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2k2j s ALA 100 Cb -0.02 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2k2j s ALA 100 CO -0.01 -0.73 0.00 0.25 0.00 0.00 0.00 175.76 175.26 2k2j n THR 101 N -0.29 0.00 -0.37 0.00 -2.24 -1.25 -3.42 114.28 106.71 2k2j n THR 101 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k2j n THR 101 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.89 0.68 -4.06 3.42 9.92 -1.26 -4.93 116.55 117.43 2k2j n ASP 102 Ca 0.00 -1.04 -0.10 0.00 -0.53 0.00 0.00 54.79 53.12 2k2j n ASP 102 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.04 1.11 0.03 -1.24 0.52 -1.26 -5.07 118.95 113.00 2k2j s ARG 103 Ca 0.00 -1.33 -0.16 0.00 -0.52 0.00 0.00 55.73 53.71 2k2j s ARG 103 Cb 0.00 0.32 -0.30 0.00 0.52 0.00 0.00 34.95 35.49 2k2j s ARG 103 CO 0.00 -0.38 1.05 0.28 0.02 0.00 0.00 175.30 176.28 2k2j h VAL 104 N 2.65 1.32 -0.16 3.52 2.07 -1.99 -2.98 116.25 120.67 2k2j h VAL 104 Ca -0.33 -2.48 -0.03 0.00 0.82 0.00 0.00 66.70 64.68 2k2j h VAL 104 Cb 1.22 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 2k2j h VAL 104 CO 0.52 0.74 -0.02 -0.33 0.02 0.00 0.00 177.57 178.50 2k2j h GLU 105 N 0.13 0.30 -0.33 1.57 5.08 -1.98 -1.39 114.58 117.97 2k2j h GLU 105 Ca -0.19 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2k2j h GLU 105 Cb 1.88 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 2k2j h GLU 105 CO 0.23 0.56 0.21 0.93 -1.00 0.00 0.00 179.01 179.93 2k2j h GLU 106 N 0.02 0.43 0.42 2.33 4.39 -1.99 0.22 114.58 120.40 2k2j h GLU 106 Ca 0.04 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2k2j h GLU 106 Cb 0.43 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k2j h GLU 106 CO 0.01 0.29 -0.20 1.25 -1.16 0.00 0.00 179.01 179.20 2k2j h LEU 107 N 0.45 -0.48 -1.78 1.33 5.85 -1.34 -1.36 115.31 117.98 2k2j h LEU 107 Ca 0.12 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2k2j h LEU 107 Cb -0.04 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2k2j h LEU 107 CO -0.03 -0.11 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.55 2k2j h PHE 108 N -0.90 0.00 0.13 1.25 -1.00 -0.94 -1.00 116.94 114.47 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 2k2j h PHE 108 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2k2j h PHE 108 CO 0.02 0.15 -0.06 1.49 -1.61 0.00 0.00 178.31 178.30 2k2j h GLU 109 N 0.00 -0.16 -0.48 1.51 4.57 -0.54 -2.61 114.58 116.87 2k2j h GLU 109 Ca -0.00 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 2k2j h GLU 109 Cb 0.32 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2k2j h GLU 109 CO 0.02 0.06 -0.19 -1.49 -1.18 0.00 0.00 179.01 176.22 2k2j h TRP 110 N -1.02 1.12 -0.01 0.92 4.06 -1.27 -2.64 115.95 117.11 2k2j h TRP 110 Ca -0.02 -0.26 -0.18 0.00 2.06 0.00 0.00 58.89 60.49 2k2j h TRP 110 Cb 0.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2k2j h TRP 110 CO 0.04 1.08 -0.81 0.74 -3.56 0.00 0.00 178.44 175.93 2k2j h PHE 111 N 0.83 0.25 0.00 0.49 0.04 -1.35 -1.59 116.94 115.61 2k2j h PHE 111 Ca 0.11 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 2k2j h PHE 111 Cb 0.77 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2k2j h PHE 111 CO 0.05 0.91 -0.46 0.37 -0.60 0.00 0.00 178.31 178.58 2k2j h GLN 112 N 0.10 0.00 0.04 1.51 -0.00 -1.45 -2.17 115.11 113.13 2k2j h GLN 112 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2k2j h GLN 112 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.89 2k2j h GLN 112 CO 0.12 0.46 -0.02 0.77 0.00 0.00 0.00 178.83 180.17 2k2j h SER 113 N 0.00 -0.04 -1.00 -0.69 0.02 -1.32 -0.48 113.55 110.04 2k2j h SER 113 Ca -0.00 -0.62 0.15 0.00 -0.84 0.00 0.00 61.79 60.48 2k2j h SER 113 Cb 0.86 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.32 2k2j h SER 113 CO 0.06 0.63 0.62 0.40 -1.14 0.00 0.00 176.83 177.39 2k2j h ILE 114 N -0.75 0.81 -0.40 3.27 2.04 -1.26 0.11 117.51 121.33 2k2j h ILE 114 Ca -0.00 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2k2j h ILE 114 Cb 0.65 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2k2j h ILE 114 CO 0.01 0.16 -0.27 -0.09 0.00 0.00 0.00 178.15 177.96 2k2j h ARG 115 N 0.87 0.89 0.00 2.37 2.43 -1.41 -0.82 114.38 118.71 2k2j h ARG 115 Ca 0.54 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2k2j h ARG 115 Cb 0.69 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2k2j h ARG 115 CO -0.33 1.07 0.12 0.93 -1.51 0.00 0.00 179.97 180.25 2k2j h GLU 116 N 0.70 0.00 0.00 0.20 4.39 0.92 0.89 114.58 121.68 2k2j h GLU 116 Ca 0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2k2j h GLU 116 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2k2j h GLU 116 CO 0.07 0.00 -1.74 -0.89 -1.16 0.00 0.00 179.01 175.30 2k2j n ILE 117 N -2.66 0.13 -0.00 3.13 5.41 -0.73 -4.40 119.36 120.24 2k2j n ILE 117 Ca -0.02 -0.38 0.05 0.00 1.00 0.00 0.00 62.75 63.40 2k2j n ILE 117 Cb 0.17 0.05 0.12 0.00 -0.71 0.00 0.00 39.64 39.26 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 -2.10 0.73 -2.36 1.39 -2.24 -0.11 -4.48 114.28 105.11 2k2j n THR 118 Ca -0.06 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2k2j n THR 118 Cb 0.48 0.70 0.06 0.00 -2.10 0.00 0.00 70.33 69.47 2k2j n THR 118 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2k2j n TRP 119 N 0.49 0.63 0.94 4.78 7.02 0.29 -4.73 117.44 126.87 2k2j n TRP 119 Ca 0.10 -1.31 0.00 0.00 -1.02 0.00 0.00 57.50 55.27 2k2j n TRP 119 Cb 0.37 -0.21 0.01 0.00 -2.42 0.00 0.00 31.31 29.06 2k2j n TRP 119 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k2j n LYS 120 N -0.23 1.11 -2.99 -0.99 5.02 -1.26 -4.68 118.16 114.13 2k2j n LYS 120 Ca 0.13 -0.09 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 2k2j n LYS 120 Cb 0.95 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 2k2j n LYS 120 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k2j s ILE 121 N -0.99 4.84 0.04 -0.18 1.09 -1.26 -5.01 121.20 119.72 2k2j s ILE 121 Ca 0.02 -1.60 -0.30 0.00 -1.10 0.00 0.00 60.65 57.66 2k2j s ILE 121 Cb 0.01 -4.71 -0.06 0.00 -1.06 0.00 0.00 42.46 36.65 2k2j s ILE 121 CO 0.00 -1.41 1.29 -1.81 -0.10 0.00 0.00 174.94 172.91 2k2j s ASP 122 N 3.42 6.97 0.05 3.58 1.11 -1.26 -4.99 116.67 125.54 2k2j s ASP 122 Ca 0.29 2.07 -0.30 0.00 0.18 0.00 0.00 52.55 54.78 2k2j s ASP 122 Cb -0.07 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.30 2k2j s ASP 122 CO -0.07 -0.59 1.09 0.42 1.18 0.00 0.00 175.17 177.20 2k2j s THR 123 N 1.62 4.37 0.00 -1.27 -4.23 -1.26 -5.30 115.64 109.57 2k2j s THR 123 Ca 0.61 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.86 2k2j s THR 123 Cb -0.31 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.42 2k2j s THR 123 CO 0.27 0.16 0.00 0.29 -0.54 0.00 0.00 174.62 174.81