#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 0.80 1.64 2.20 -1.26 -5.08 119.74 122.27 2k2j s LYS 9 Ca 0.00 0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.76 2k2j s LYS 9 Cb 0.00 -3.49 0.13 0.00 -1.51 0.00 0.00 37.83 32.96 2k2j s LYS 9 CO 0.00 0.06 1.12 0.16 -0.36 0.00 0.00 175.35 176.33 2k2j s ASP 10 N 0.83 4.06 -0.21 1.43 1.47 -1.26 -5.06 116.67 117.93 2k2j s ASP 10 Ca 0.20 0.15 -0.12 0.00 1.18 0.00 0.00 52.55 53.96 2k2j s ASP 10 Cb -0.14 -0.50 -0.05 0.00 -0.34 0.00 0.00 42.92 41.89 2k2j s ASP 10 CO 0.07 -2.09 0.22 -0.70 0.68 0.00 0.00 175.17 173.35 2k2j s GLU 11 N -5.46 4.15 0.00 2.11 2.12 -1.26 -5.02 118.70 115.34 2k2j s GLU 11 Ca 0.67 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2k2j s GLU 11 Cb -0.07 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2k2j s GLU 11 CO 0.48 0.13 0.00 0.72 -0.54 0.00 0.00 175.26 176.05 2k2j n HIS 12 N 4.01 0.00 -3.70 5.30 8.25 -1.26 -5.01 115.22 122.81 2k2j n HIS 12 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 2k2j n HIS 12 Cb 0.52 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 2k2j n HIS 12 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k2j s LYS 13 N -0.48 0.34 -0.42 -0.41 1.02 -1.26 -5.02 119.74 113.52 2k2j s LYS 13 Ca 0.00 0.73 -0.18 0.00 0.02 0.00 0.00 55.97 56.54 2k2j s LYS 13 Cb 0.00 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 2k2j s LYS 13 CO 0.00 -0.16 0.49 -1.14 -0.92 0.00 0.00 175.35 173.61 2k2j s GLN 14 N 1.41 3.15 -0.01 1.68 2.00 -1.26 -4.99 119.66 121.64 2k2j s GLN 14 Ca -0.09 -0.65 -0.08 0.00 -2.00 0.00 0.00 55.36 52.54 2k2j s GLN 14 Cb -0.09 -3.96 0.01 0.00 0.80 0.00 0.00 33.01 29.77 2k2j s GLN 14 CO -0.12 -0.88 0.16 1.14 -0.50 0.00 0.00 175.29 175.09 2k2j s GLN 15 N 2.30 0.45 0.00 1.67 -2.07 -1.26 -1.41 119.66 119.33 2k2j s GLN 15 Ca 0.15 -0.27 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 2k2j s GLN 15 Cb -0.16 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 2k2j s GLN 15 CO 0.15 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 2k2j n GLY 16 N 1.71 -0.26 3.14 2.60 0.00 -0.50 -4.97 105.19 106.91 2k2j n GLY 16 Ca -0.21 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 0.83 0.19 1.61 2.02 -1.26 -1.19 118.70 120.89 2k2j s GLU 17 Ca 0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 2k2j s GLU 17 Cb 0.00 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.43 2k2j s GLU 17 CO 0.00 0.19 0.40 -0.51 0.02 0.00 0.00 175.26 175.36 2k2j s LEU 18 N -1.35 0.54 -0.17 1.80 1.43 -0.54 -4.85 118.68 115.55 2k2j s LEU 18 Ca -0.01 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2k2j s LEU 18 Cb -0.09 1.63 0.00 0.00 0.03 0.00 0.00 46.19 47.77 2k2j s LEU 18 CO 0.01 -0.98 -0.15 -0.31 0.23 0.00 0.00 176.35 175.16 2k2j s TYR 19 N -3.93 2.80 0.08 0.29 1.51 -1.12 -1.45 117.35 115.53 2k2j s TYR 19 Ca 0.14 -1.12 0.09 0.00 -1.01 0.00 0.00 57.07 55.17 2k2j s TYR 19 Cb 0.01 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 2k2j s TYR 19 CO -0.00 -0.54 -0.25 -1.64 -1.11 0.00 0.00 175.55 172.01 2k2j s MET 20 N 0.98 1.52 0.20 -0.62 -1.94 -1.26 -0.38 119.30 117.80 2k2j s MET 20 Ca -0.02 -1.17 -0.32 0.00 -1.71 0.00 0.00 55.69 52.47 2k2j s MET 20 Cb -0.15 -1.81 -0.12 0.00 2.01 0.00 0.00 34.83 34.77 2k2j s MET 20 CO -0.03 0.45 1.74 -0.46 -0.01 0.00 0.00 175.02 176.72 2k2j s TRP 21 N -0.93 2.81 -0.41 -0.03 -0.00 -0.86 -4.15 118.94 115.36 2k2j s TRP 21 Ca 0.11 0.29 -0.04 0.00 -0.00 0.00 0.00 56.10 56.46 2k2j s TRP 21 Cb -0.10 -4.15 0.11 0.00 -0.00 0.00 0.00 33.47 29.33 2k2j s TRP 21 CO 0.04 -4.42 0.22 -0.51 -0.00 0.00 0.00 176.95 172.27 2k2j s ASP 22 N 1.37 5.32 0.00 5.86 1.01 -0.86 -4.89 116.67 124.49 2k2j s ASP 22 Ca 0.76 -1.98 0.18 0.00 0.71 0.00 0.00 52.55 52.22 2k2j s ASP 22 Cb -0.50 -1.86 0.79 0.00 1.01 0.00 0.00 42.92 42.37 2k2j s ASP 22 CO 0.33 -0.56 1.56 -1.54 0.21 0.00 0.00 175.17 175.16 2k2j n SER 23 N 4.65 0.00 0.30 0.27 3.41 -1.26 0.32 113.62 121.31 2k2j n SER 23 Ca -0.04 0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2k2j n SER 23 Cb 0.41 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.02 -0.05 -1.33 2.04 -1.94 -3.33 117.51 112.91 2k2j h ILE 24 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k2j h ILE 24 Cb 0.26 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2k2j h ILE 24 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 2k2j n ASP 25 N -5.31 2.60 -3.25 1.72 9.92 -1.22 -5.01 116.55 115.99 2k2j n ASP 25 Ca -0.10 -1.79 -0.07 0.00 -0.53 0.00 0.00 54.79 52.30 2k2j n ASP 25 Cb 0.32 -0.02 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 1.06 -1.40 -3.91 -1.24 1.13 0.15 -5.01 117.38 108.16 2k2j n GLN 26 Ca 0.11 1.28 -0.01 0.00 -1.94 0.00 0.00 57.00 56.45 2k2j n GLN 26 Cb 0.47 -4.93 0.02 0.00 0.11 0.00 0.00 30.24 25.91 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 -3.57 0.96 -0.09 -1.09 -2.85 -0.96 -5.00 119.74 107.14 2k2j s LYS 27 Ca 0.03 -0.62 -0.06 0.00 -1.00 0.00 0.00 55.97 54.32 2k2j s LYS 27 Cb -0.01 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2k2j s LYS 27 CO 0.79 -0.45 0.15 -1.58 0.10 0.00 0.00 175.35 174.35 2k2j s TRP 28 N -2.14 3.58 0.24 1.78 0.52 -1.26 -2.02 118.94 119.64 2k2j s TRP 28 Ca 0.24 0.48 0.03 0.00 0.02 0.00 0.00 56.10 56.87 2k2j s TRP 28 Cb -0.02 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.34 2k2j s TRP 28 CO 0.03 0.71 0.03 0.95 0.02 0.00 0.00 176.95 178.69 2k2j s THR 29 N -1.10 0.85 -0.26 2.01 -4.23 -1.26 -5.03 115.64 106.62 2k2j s THR 29 Ca 0.18 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.54 2k2j s THR 29 Cb -0.12 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2k2j s THR 29 CO 0.08 -0.23 0.31 -0.60 -0.54 0.00 0.00 174.62 173.63 2k2j s ARG 30 N -3.92 4.02 0.26 3.99 3.52 -1.26 -4.07 118.95 121.48 2k2j s ARG 30 Ca 0.31 -0.06 0.11 0.00 -0.13 0.00 0.00 55.73 55.96 2k2j s ARG 30 Cb 0.07 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2k2j s ARG 30 CO 0.10 -0.20 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.18 2k2j s HIS 31 N 1.83 2.19 -0.47 5.12 3.76 -0.53 -3.70 115.29 123.50 2k2j s HIS 31 Ca 0.13 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.58 2k2j s HIS 31 Cb -0.16 -0.98 0.12 0.00 1.11 0.00 0.00 32.58 32.68 2k2j s HIS 31 CO 0.10 0.63 0.34 -0.47 -0.85 0.00 0.00 174.74 174.49 2k2j s TYR 32 N -2.46 3.45 0.54 1.40 5.04 -1.26 -1.46 117.35 122.59 2k2j s TYR 32 Ca 0.27 -1.94 -0.01 0.00 -2.44 0.00 0.00 57.07 52.95 2k2j s TYR 32 Cb -0.05 -3.48 0.02 0.00 0.35 0.00 0.00 41.96 38.81 2k2j s TYR 32 CO 0.13 -0.99 0.80 0.00 -1.34 0.00 0.00 175.55 174.14 2k2j s ALA 34 N -2.80 -2.66 -0.21 0.00 0.00 -0.49 -1.41 121.76 114.19 2k2j s ALA 34 Ca 0.54 2.01 -0.22 0.00 0.00 0.00 0.00 51.96 54.29 2k2j s ALA 34 Cb -0.10 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2k2j s ALA 34 CO 0.40 -1.04 0.67 0.42 0.00 0.00 0.00 175.76 176.21 2k2j s ILE 35 N 2.61 4.99 -0.18 0.00 1.01 -0.50 -2.13 121.20 126.99 2k2j s ILE 35 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2k2j s ILE 35 Cb -0.08 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2k2j s ILE 35 CO -0.17 0.08 -0.17 0.00 0.00 0.00 0.00 174.94 174.68 2k2j s ALA 36 N 2.09 2.43 0.00 9.38 0.00 0.02 -4.40 121.76 131.28 2k2j s ALA 36 Ca 0.30 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2k2j s ALA 36 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2k2j s ALA 36 CO 0.10 -0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.31 2k2j n ASP 37 N 4.54 0.00 -0.91 0.00 8.00 -1.26 -1.50 116.55 125.42 2k2j n ASP 37 Ca -0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 2k2j n ASP 37 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.59 2.57 -2.79 2.24 0.00 -1.26 -5.11 120.51 117.75 2k2j n ALA 38 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.22 2k2j n ALA 38 Cb 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 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 0.65 -0.27 0.00 1.02 -0.56 -3.16 119.74 117.41 2k2j s LYS 39 Ca 0.09 -0.80 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 2k2j s LYS 39 Cb 0.11 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 2k2j s LYS 39 CO -0.05 0.11 0.07 -1.17 -0.92 0.00 0.00 175.35 173.39 2k2j s LEU 40 N -1.53 3.61 -0.17 3.17 2.96 -1.08 -0.80 118.68 124.85 2k2j s LEU 40 Ca -0.06 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 2k2j s LEU 40 Cb -0.09 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2k2j s LEU 40 CO 0.01 -0.12 -0.02 -0.94 -1.32 0.00 0.00 176.35 173.97 2k2j s SER 41 N 1.55 4.90 -0.10 3.68 1.04 -0.91 -0.29 113.70 123.57 2k2j s SER 41 Ca 0.04 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2k2j s SER 41 Cb -0.16 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 2k2j s SER 41 CO 0.02 0.15 -0.12 0.72 0.98 0.00 0.00 173.24 175.00 2k2j s PHE 42 N 0.47 2.81 0.63 5.02 -0.71 -0.91 -1.40 117.98 123.89 2k2j s PHE 42 Ca -0.02 -0.42 0.05 0.00 -1.04 0.00 0.00 56.93 55.49 2k2j s PHE 42 Cb -0.14 -1.78 0.10 0.00 -1.21 0.00 0.00 43.02 39.99 2k2j s PHE 42 CO 0.02 -0.04 0.86 -1.54 -1.34 0.00 0.00 175.22 173.19 2k2j s SER 43 N -0.06 4.82 0.85 1.98 1.04 -0.99 -1.25 113.70 120.09 2k2j s SER 43 Ca -0.02 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 2k2j s SER 43 Cb -0.14 0.03 0.10 0.00 0.10 0.00 0.00 66.02 66.11 2k2j s SER 43 CO 0.04 -1.51 1.10 1.51 0.98 0.00 0.00 173.24 175.35 2k2j s ASP 44 N -4.66 4.02 0.27 7.02 -4.77 -1.24 -4.26 116.67 113.05 2k2j s ASP 44 Ca 0.63 1.33 -0.28 0.00 -3.30 0.00 0.00 52.55 50.93 2k2j s ASP 44 Cb -0.06 -2.03 -0.14 0.00 -1.09 0.00 0.00 42.92 39.59 2k2j s ASP 44 CO 0.41 -2.27 0.97 0.47 0.70 0.00 0.00 175.17 175.44 2k2j n ASP 45 N -3.63 1.02 0.01 2.11 8.00 -1.26 -4.45 116.55 118.35 2k2j n ASP 45 Ca 0.07 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2k2j n ASP 45 Cb 0.56 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.32 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 0.28 1.07 0.00 0.53 -5.35 -1.24 -4.40 119.36 110.24 2k2j n ILE 46 Ca 0.11 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2k2j n ILE 46 Cb 0.31 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.79 1.22 -0.66 6.28 0.28 -1.26 -4.79 120.64 118.91 2k2j n GLU 47 Ca -0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.75 2k2j n GLU 47 Cb 0.84 -0.67 0.08 0.00 1.43 0.00 0.00 31.44 33.12 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 -1.10 1.66 -1.66 3.44 6.02 -1.26 -4.96 117.38 119.52 2k2j n GLN 48 Ca 0.00 -1.52 -0.49 0.00 -0.01 0.00 0.00 57.00 54.98 2k2j n GLN 48 Cb 0.17 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 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 -0.22 0.17 -3.85 5.09 -2.24 -1.26 -4.84 114.28 107.13 2k2j n THR 49 Ca 0.30 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.71 2k2j n THR 49 Cb 1.00 -1.44 -0.12 0.00 -2.10 0.00 0.00 70.33 67.67 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 1.86 2.01 -0.03 -0.78 -1.94 -1.26 -5.06 119.30 114.10 2k2j s MET 50 Ca 0.85 -2.16 -0.01 0.00 -1.71 0.00 0.00 55.69 52.67 2k2j s MET 50 Cb -0.78 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 32.61 2k2j s MET 50 CO 0.46 -1.07 0.05 -1.21 -0.01 0.00 0.00 175.02 173.24 2k2j s GLU 51 N 0.53 -0.03 0.00 2.03 2.02 -1.26 -5.04 118.70 116.95 2k2j s GLU 51 Ca 0.13 0.25 -0.13 0.00 0.02 0.00 0.00 54.97 55.24 2k2j s GLU 51 Cb -0.22 -0.28 -0.07 0.00 0.10 0.00 0.00 34.13 33.66 2k2j s GLU 51 CO -0.04 -0.20 0.83 1.49 0.02 0.00 0.00 175.26 177.36 2k2j h GLU 52 N 7.48 -0.44 -0.08 1.61 4.81 -2.02 -3.37 114.58 122.57 2k2j h GLU 52 Ca -0.40 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2k2j h GLU 52 Cb 1.12 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2k2j h GLU 52 CO 0.42 -0.29 0.00 -0.25 -0.73 0.00 0.00 179.01 178.15 2k2j n ASP 53 N -3.76 2.61 -3.21 1.04 8.00 -1.26 -5.02 116.55 114.95 2k2j n ASP 53 Ca -0.06 -2.74 -0.06 0.00 0.71 0.00 0.00 54.79 52.64 2k2j n ASP 53 Cb 0.18 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 2k2j n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k2j n ASN 54 N -0.90 -7.17 0.26 -2.24 2.85 -1.26 -4.96 115.26 101.84 2k2j n ASN 54 Ca 0.13 -0.29 -0.13 0.00 -0.11 0.00 0.00 54.58 54.18 2k2j n ASN 54 Cb 0.58 -4.67 -0.07 0.00 1.24 0.00 0.00 39.78 36.86 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2k2j h PRO 55 N 0.14 -0.68 -3.33 1.20 0.11 -1.95 -3.47 132.00 124.03 2k2j h PRO 55 Ca -0.17 0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 2k2j h PRO 55 Cb 1.10 0.15 -0.21 0.00 0.11 0.00 0.00 31.00 32.15 2k2j h PRO 55 CO 0.33 -0.38 -0.43 -1.17 -0.21 0.00 0.00 178.00 176.14 2k2j s LEU 56 N -9.46 1.29 -0.41 2.35 2.96 -1.26 -5.09 118.68 109.07 2k2j s LEU 56 Ca -0.13 -0.01 0.11 0.00 -0.22 0.00 0.00 54.13 53.88 2k2j s LEU 56 Cb 0.02 0.85 0.38 0.00 0.50 0.00 0.00 46.19 47.93 2k2j s LEU 56 CO 0.43 -0.34 0.85 0.61 -1.32 0.00 0.00 176.35 176.58 2k2j n GLY 57 N 1.67 3.77 3.73 7.98 0.00 -1.26 -5.11 105.19 115.97 2k2j n GLY 57 Ca -0.21 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 2k2j n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k2j s SER 58 N -2.86 4.12 0.00 1.61 1.04 -1.26 -5.01 113.70 111.34 2k2j s SER 58 Ca 0.40 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.89 2k2j s SER 58 Cb 0.36 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2k2j s SER 58 CO -0.08 -2.30 0.00 -0.11 0.98 0.00 0.00 173.24 171.74 2k2j n LEU 59 N -3.36 0.36 -4.56 2.42 7.94 -1.26 -4.46 117.00 114.08 2k2j n LEU 59 Ca 0.11 0.40 -0.24 0.00 -1.11 0.00 0.00 56.01 55.17 2k2j n LEU 59 Cb 0.52 -0.44 -0.05 0.00 0.53 0.00 0.00 43.42 43.98 2k2j n LEU 59 CO 0.50 -0.44 1.57 0.00 -1.11 0.00 0.00 177.39 177.92 2k2j n ARG 61 N 8.91 1.49 0.00 0.00 5.12 -0.38 -4.95 116.66 126.85 2k2j n ARG 61 Ca 0.42 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 2k2j n ARG 61 Cb 0.48 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 2k2j n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k2j n GLY 62 N 0.99 3.63 2.85 -0.13 0.00 -1.20 -4.94 105.19 106.38 2k2j n GLY 62 Ca 0.14 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 2k2j n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2j s ILE 63 N -2.00 -0.13 -0.74 -0.61 1.01 -1.26 -2.14 121.20 115.34 2k2j s ILE 63 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.74 2k2j s ILE 63 Cb 0.00 -0.23 0.13 0.00 0.01 0.00 0.00 42.46 42.37 2k2j s ILE 63 CO 0.00 0.11 0.86 -0.76 0.00 0.00 0.00 174.94 175.15 2k2j s LEU 64 N 1.63 5.47 -0.59 2.97 2.01 0.60 -4.92 118.68 125.85 2k2j s LEU 64 Ca -0.04 -1.81 -0.26 0.00 0.01 0.00 0.00 54.13 52.04 2k2j s LEU 64 Cb -0.12 -2.32 -0.06 0.00 0.01 0.00 0.00 46.19 43.70 2k2j s LEU 64 CO -0.05 -1.03 2.23 -1.81 1.01 0.00 0.00 176.35 176.70 2k2j s ASP 65 N 3.36 4.63 0.32 2.29 1.11 -1.26 -2.64 116.67 124.48 2k2j s ASP 65 Ca 0.19 0.64 0.08 0.00 0.18 0.00 0.00 52.55 53.64 2k2j s ASP 65 Cb -0.16 -2.52 0.81 0.00 1.07 0.00 0.00 42.92 42.12 2k2j s ASP 65 CO -0.01 -2.87 1.77 -0.07 1.18 0.00 0.00 175.17 175.18 2k2j h LEU 66 N 19.03 0.73 0.00 1.23 -0.00 -1.92 0.21 115.31 134.60 2k2j h LEU 66 Ca -0.19 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2k2j h LEU 66 Cb 1.19 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2k2j h LEU 66 CO 1.16 0.23 0.00 0.59 -0.00 0.00 0.00 178.44 180.42 2k2j n ASN 67 N -4.77 0.00 -2.16 -0.43 5.03 -1.26 -1.74 115.26 109.93 2k2j n ASN 67 Ca 0.24 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.75 2k2j n ASN 67 Cb 0.63 -0.05 0.04 0.00 -1.02 0.00 0.00 39.78 39.37 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 -1.04 0.52 -4.08 3.41 -2.24 0.74 -5.01 114.28 106.59 2k2j n THR 68 Ca 0.00 -1.67 -0.11 0.00 -2.27 0.00 0.00 64.05 60.01 2k2j n THR 68 Cb 0.00 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.54 0.72 0.27 4.78 1.51 -0.71 -0.07 117.35 122.31 2k2j s TYR 69 Ca 0.23 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 2k2j s TYR 69 Cb 0.32 -0.09 -0.05 0.00 -0.11 0.00 0.00 41.96 42.03 2k2j s TYR 69 CO -0.09 -0.90 0.06 -0.80 -1.11 0.00 0.00 175.55 172.72 2k2j s ASN 70 N -3.09 1.62 -0.03 2.29 0.01 0.10 -4.87 114.94 110.98 2k2j s ASN 70 Ca 0.29 -1.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.13 2k2j s ASN 70 Cb 0.02 0.07 -0.00 0.00 0.41 0.00 0.00 41.25 41.74 2k2j s ASN 70 CO 0.12 -0.65 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.23 2k2j s VAL 71 N -3.57 1.08 -0.04 1.60 1.01 -1.26 -1.41 120.40 117.81 2k2j s VAL 71 Ca 0.35 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2k2j s VAL 71 Cb 0.08 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.56 2k2j s VAL 71 CO 0.13 0.32 0.04 0.68 0.00 0.00 0.00 175.10 176.27 2k2j s VAL 72 N -0.04 -0.01 -0.56 2.92 -7.23 -0.61 -4.98 120.40 109.89 2k2j s VAL 72 Ca -0.00 0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 60.23 2k2j s VAL 72 Cb -0.08 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.66 2k2j s VAL 72 CO 0.01 0.18 1.47 -0.75 -0.31 0.00 0.00 175.10 175.69 2k2j s LYS 73 N 1.93 3.25 -0.11 4.82 2.36 -1.26 -1.32 119.74 129.41 2k2j s LYS 73 Ca 0.02 0.50 -0.29 0.00 -2.55 0.00 0.00 55.97 53.65 2k2j s LYS 73 Cb -0.12 -4.15 -0.03 0.00 -1.05 0.00 0.00 37.83 32.48 2k2j s LYS 73 CO -0.03 -2.00 1.37 0.00 1.55 0.00 0.00 175.35 176.24 2k2j s ALA 74 N 6.32 3.63 0.00 3.13 0.00 0.40 -4.98 121.76 130.26 2k2j s ALA 74 Ca 0.55 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2k2j s ALA 74 Cb -0.11 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2k2j s ALA 74 CO 0.25 -1.17 0.00 -2.30 0.00 0.00 0.00 175.76 172.53 2k2j n PRO 75 N 6.51 0.00 -2.38 0.00 -0.02 -1.26 -2.96 135.00 134.88 2k2j n PRO 75 Ca 0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2k2j n PRO 75 Cb 0.44 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2k2j n PRO 75 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k2j n GLN 76 N 0.00 4.41 0.00 -0.52 7.27 -1.25 -4.30 117.38 122.99 2k2j n GLN 76 Ca 0.00 -3.87 0.00 0.00 0.07 0.00 0.00 57.00 53.20 2k2j n GLN 76 Cb 0.00 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 29.97 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2j n GLY 77 N 1.70 0.81 2.04 1.69 0.00 -0.65 -4.59 105.19 106.18 2k2j n GLY 77 Ca 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.61 4.81 -1.25 -4.86 118.16 118.46 2k2j n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k2j n LYS 78 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k2j n LYS 78 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2k2j n ASN 79 N -3.01 0.00 0.00 3.14 4.13 -1.26 -4.79 115.26 113.47 2k2j n ASN 79 Ca 0.00 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.64 2k2j n ASN 79 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2j n GLN 80 N -1.04 0.05 -2.70 3.52 1.13 -1.26 -5.10 117.38 111.97 2k2j n GLN 80 Ca 0.00 -0.50 -0.22 0.00 -1.94 0.00 0.00 57.00 54.34 2k2j n GLN 80 Cb 0.00 -0.51 0.08 0.00 0.11 0.00 0.00 30.24 29.93 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2k2j s LYS 81 N -0.02 1.98 0.00 -1.09 -0.14 -1.26 -5.04 119.74 114.17 2k2j s LYS 81 Ca 0.00 -1.18 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 2k2j s LYS 81 Cb 0.00 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.72 2k2j s LYS 81 CO 0.00 -1.17 0.00 -1.13 -0.76 0.00 0.00 175.35 172.29 2k2j n SER 82 N -2.60 4.09 -3.83 2.83 3.41 -1.26 -3.47 113.62 112.78 2k2j n SER 82 Ca 0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.45 2k2j n SER 82 Cb 0.61 0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 65.18 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2k2j s PHE 83 N -1.65 2.18 0.13 7.33 0.08 -1.26 -1.64 117.98 123.15 2k2j s PHE 83 Ca 0.00 -1.89 0.06 0.00 0.12 0.00 0.00 56.93 55.23 2k2j s PHE 83 Cb 0.00 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2k2j s PHE 83 CO 0.00 -0.84 -0.15 0.08 -0.10 0.00 0.00 175.22 174.21 2k2j s VAL 84 N 1.46 1.41 -0.07 -0.44 1.01 -1.16 -3.97 120.40 118.64 2k2j s VAL 84 Ca 0.05 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 2k2j s VAL 84 Cb -0.18 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2k2j s VAL 84 CO -0.16 -0.41 0.01 -0.36 0.00 0.00 0.00 175.10 174.17 2k2j s PHE 85 N -2.18 0.61 -0.12 5.22 0.40 -1.01 0.15 117.98 121.04 2k2j s PHE 85 Ca 0.10 -0.12 -0.07 0.00 -0.60 0.00 0.00 56.93 56.24 2k2j s PHE 85 Cb -0.05 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 2k2j s PHE 85 CO 0.04 -0.31 0.15 0.42 0.70 0.00 0.00 175.22 176.21 2k2j s ILE 86 N 1.99 5.50 -0.14 0.64 1.01 -0.44 -1.79 121.20 127.97 2k2j s ILE 86 Ca 0.05 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2k2j s ILE 86 Cb -0.12 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2k2j s ILE 86 CO -0.05 0.61 0.21 -0.76 0.00 0.00 0.00 174.94 174.95 2k2j s LEU 87 N -0.99 4.31 -0.26 2.97 1.43 0.33 -1.57 118.68 124.89 2k2j s LEU 87 Ca 0.15 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2k2j s LEU 87 Cb -0.12 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 43.94 2k2j s LEU 87 CO 0.04 0.25 -0.10 -1.61 0.23 0.00 0.00 176.35 175.16 2k2j s GLU 88 N -0.23 2.25 0.89 1.70 2.02 -0.50 -2.42 118.70 122.41 2k2j s GLU 88 Ca 0.14 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 2k2j s GLU 88 Cb -0.12 -2.92 0.10 0.00 0.10 0.00 0.00 34.13 31.29 2k2j s GLU 88 CO 0.03 -0.58 0.99 -0.35 0.02 0.00 0.00 175.26 175.37 2k2j n PRO 89 N 4.45 -0.24 0.00 0.39 -0.04 -1.26 0.03 135.00 138.33 2k2j n PRO 89 Ca -0.14 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2k2j n PRO 89 Cb 0.42 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 -3.36 -0.60 0.39 0.54 5.02 0.90 -4.80 118.16 116.24 2k2j n LYS 90 Ca 0.11 -0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 55.90 2k2j n LYS 90 Cb 0.52 -0.85 -0.07 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.95 0.00 1.97 4.20 -1.94 -3.49 115.11 114.90 2k2j h GLN 91 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k2j h GLN 91 Cb 0.14 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2k2j h GLN 91 CO 0.00 -0.64 0.00 0.00 -0.67 0.00 0.00 178.83 177.52 2k2j n GLN 92 N -4.83 0.00 -0.28 1.46 10.64 -1.26 -5.00 117.38 118.11 2k2j n GLN 92 Ca -0.12 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.12 2k2j n GLN 92 Cb 0.39 0.00 0.12 0.00 -0.86 0.00 0.00 30.24 29.89 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 -0.06 4.00 3.46 2.61 0.00 -1.26 -5.07 105.19 108.87 2k2j n GLY 93 Ca 0.00 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.06 -1.50 -4.86 1.61 9.92 -1.26 -4.98 116.55 114.42 2k2j n ASP 94 Ca 0.13 0.40 -0.31 0.00 -0.53 0.00 0.00 54.79 54.48 2k2j n ASP 94 Cb 0.68 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.87 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 -3.59 3.88 0.72 -0.24 0.04 -1.26 -4.72 135.00 129.83 2k2j s PRO 95 Ca 0.60 0.72 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 2k2j s PRO 95 Cb -0.24 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.07 2k2j s PRO 95 CO 0.64 -0.12 1.06 -1.25 0.04 0.00 0.00 177.00 177.36 2k2j s PRO 96 N -3.86 2.37 -0.04 0.56 0.04 -1.26 -4.62 135.00 128.19 2k2j s PRO 96 Ca 0.55 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.63 2k2j s PRO 96 Cb -0.10 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2k2j s PRO 96 CO 0.30 -1.21 -0.06 0.08 0.04 0.00 0.00 177.00 176.14 2k2j s VAL 97 N -3.32 0.66 -0.08 -0.36 1.01 -1.01 -4.95 120.40 112.36 2k2j s VAL 97 Ca 0.59 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 2k2j s VAL 97 Cb -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2k2j s VAL 97 CO 0.47 0.25 0.19 -1.61 0.00 0.00 0.00 175.10 174.40 2k2j s GLU 98 N 0.75 3.51 0.17 2.72 8.01 -1.26 -0.51 118.70 132.09 2k2j s GLU 98 Ca -0.11 -0.09 0.06 0.00 0.01 0.00 0.00 54.97 54.84 2k2j s GLU 98 Cb -0.14 -3.17 -0.05 0.00 -4.31 0.00 0.00 34.13 26.47 2k2j s GLU 98 CO 0.01 0.74 -0.12 -0.06 0.01 0.00 0.00 175.26 175.84 2k2j s PHE 99 N -1.11 1.46 0.17 1.61 0.40 -0.74 -2.02 117.98 117.75 2k2j s PHE 99 Ca 0.19 -0.67 -0.22 0.00 -0.60 0.00 0.00 56.93 55.63 2k2j s PHE 99 Cb -0.13 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.75 2k2j s PHE 99 CO 0.08 0.21 0.59 0.00 0.70 0.00 0.00 175.22 176.80 2k2j s ALA 100 N -3.15 -1.47 0.16 5.36 0.00 0.49 -2.41 121.76 120.74 2k2j s ALA 100 Ca 0.19 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2k2j s ALA 100 Cb 0.01 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2k2j s ALA 100 CO 0.03 -0.79 0.08 0.25 0.00 0.00 0.00 175.76 175.33 2k2j n THR 101 N -0.37 0.00 0.05 0.00 -2.24 -1.25 -2.78 114.28 107.68 2k2j n THR 101 Ca -0.15 -1.01 0.01 0.00 -2.27 0.00 0.00 64.05 60.62 2k2j n THR 101 Cb 0.64 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.03 1.10 -3.96 3.42 9.92 -1.26 -4.91 116.55 118.84 2k2j n ASP 102 Ca -0.01 -1.05 -0.09 0.00 -0.53 0.00 0.00 54.79 53.11 2k2j n ASP 102 Cb 0.26 -0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.66 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 -0.10 0.87 0.14 -1.24 0.52 -1.26 -5.05 118.95 112.83 2k2j s ARG 103 Ca 0.01 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2k2j s ARG 103 Cb 0.01 0.31 -0.12 0.00 0.52 0.00 0.00 34.95 35.67 2k2j s ARG 103 CO 0.01 -0.27 1.32 -0.24 0.02 0.00 0.00 175.30 176.14 2k2j h VAL 104 N 2.80 1.62 0.09 3.52 3.04 -1.99 -2.87 116.25 122.45 2k2j h VAL 104 Ca -0.34 -3.09 -0.00 0.00 -1.01 0.00 0.00 66.70 62.26 2k2j h VAL 104 Cb 1.19 2.71 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 2k2j h VAL 104 CO 0.57 0.89 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.64 2k2j h GLU 105 N 0.03 -0.11 -0.01 4.17 5.08 -2.00 -2.73 114.58 119.00 2k2j h GLU 105 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k2j h GLU 105 Cb 1.67 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 2k2j h GLU 105 CO 0.14 0.35 0.01 0.93 -1.00 0.00 0.00 179.01 179.43 2k2j h GLU 106 N -0.63 0.00 0.56 2.33 4.39 -1.99 -1.29 114.58 117.95 2k2j h GLU 106 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2k2j h GLU 106 Cb 0.51 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2k2j h GLU 106 CO 0.02 0.00 -0.27 1.25 -1.16 0.00 0.00 179.01 178.85 2k2j h LEU 107 N 0.00 -0.64 -0.70 1.33 5.85 -1.41 -2.32 115.31 117.42 2k2j h LEU 107 Ca 0.00 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2k2j h LEU 107 Cb 0.01 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2k2j h LEU 107 CO -0.00 -0.34 0.20 0.15 -0.34 0.00 0.00 178.44 178.11 2k2j h PHE 108 N -0.93 1.15 0.66 1.25 3.57 -1.17 -0.97 116.94 120.51 2k2j h PHE 108 Ca -0.08 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 2k2j h PHE 108 Cb 0.63 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2k2j h PHE 108 CO -0.01 0.93 -0.43 1.49 -2.23 0.00 0.00 178.31 178.06 2k2j h GLU 109 N 1.05 -1.00 -0.03 1.11 4.57 -1.25 0.20 114.58 119.22 2k2j h GLU 109 Ca 0.22 0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2k2j h GLU 109 Cb 0.34 0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2k2j h GLU 109 CO -0.00 -0.67 -0.01 -1.49 -1.18 0.00 0.00 179.01 175.65 2k2j h TRP 110 N -1.04 0.07 -0.03 0.92 4.06 -1.44 -2.90 115.95 115.60 2k2j h TRP 110 Ca -0.08 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 2k2j h TRP 110 Cb 0.85 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 2k2j h TRP 110 CO -0.12 0.47 -0.40 0.74 -3.56 0.00 0.00 178.44 175.57 2k2j h PHE 111 N -0.35 0.06 -0.16 0.49 0.04 -1.23 -1.97 116.94 113.82 2k2j h PHE 111 Ca 0.01 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 2k2j h PHE 111 Cb 0.45 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2k2j h PHE 111 CO 0.07 0.44 -0.42 0.37 -0.60 0.00 0.00 178.31 178.18 2k2j h GLN 112 N 0.05 0.37 -0.25 1.51 -0.00 -0.63 -1.63 115.11 114.53 2k2j h GLN 112 Ca 0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 58.65 58.39 2k2j h GLN 112 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.20 2k2j h GLN 112 CO 0.05 0.73 -0.17 1.03 0.00 0.00 0.00 178.83 180.47 2k2j h SER 113 N 0.31 0.57 -0.63 -0.69 0.87 -1.23 0.32 113.55 113.07 2k2j h SER 113 Ca 0.03 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2k2j h SER 113 Cb 0.86 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2k2j h SER 113 CO 0.07 0.89 0.42 0.40 -0.53 0.00 0.00 176.83 178.08 2k2j h ILE 114 N 0.26 1.14 0.00 2.23 2.04 -1.23 -0.69 117.51 121.26 2k2j h ILE 114 Ca 0.05 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2k2j h ILE 114 Cb 0.70 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2k2j h ILE 114 CO 0.05 0.15 -0.69 0.03 0.00 0.00 0.00 178.15 177.68 2k2j h ARG 115 N 0.82 0.00 0.00 2.37 3.08 -1.08 -3.07 114.38 116.51 2k2j h ARG 115 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2k2j h ARG 115 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2k2j h ARG 115 CO -0.05 0.69 0.15 0.93 -1.07 0.00 0.00 179.97 180.62 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 5.08 0.12 1.04 114.58 120.87 2k2j h GLU 116 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2k2j h GLU 116 Cb 1.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2k2j h GLU 116 CO 0.09 0.00 -1.64 -0.89 -1.00 0.00 0.00 179.01 175.57 2k2j n ILE 117 N -2.72 0.33 -1.59 3.13 5.41 -1.19 -4.46 119.36 118.27 2k2j n ILE 117 Ca -0.02 -0.36 0.06 0.00 1.00 0.00 0.00 62.75 63.43 2k2j n ILE 117 Cb 0.20 -0.17 0.15 0.00 -0.71 0.00 0.00 39.64 39.12 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 -2.13 1.72 -0.05 1.39 -2.24 -0.36 -4.65 114.28 107.95 2k2j n THR 118 Ca -0.09 -2.51 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 2k2j n THR 118 Cb 0.55 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2k2j n THR 118 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2k2j n TRP 119 N -0.94 0.00 -2.11 4.78 -0.00 0.35 -4.59 117.44 114.93 2k2j n TRP 119 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 2k2j n TRP 119 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.04 2k2j n TRP 119 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2k2j n LYS 120 N 0.00 -5.08 -3.71 5.87 3.00 -1.24 -4.95 118.16 112.05 2k2j n LYS 120 Ca 0.00 3.67 -0.37 0.00 -0.00 0.00 0.00 58.31 61.61 2k2j n LYS 120 Cb 0.01 -4.22 -0.10 0.00 0.00 0.00 0.00 35.03 30.72 2k2j n LYS 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2k2j s ILE 121 N -0.52 3.61 -0.15 3.15 -1.09 -1.26 -5.03 121.20 119.92 2k2j s ILE 121 Ca 0.00 -2.30 -0.07 0.00 -2.23 0.00 0.00 60.65 56.05 2k2j s ILE 121 Cb 0.00 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2k2j s ILE 121 CO 0.00 -0.77 0.11 -0.62 -1.23 0.00 0.00 174.94 172.43 2k2j s ASP 122 N 1.62 6.14 -0.03 3.58 -1.08 -1.26 -5.10 116.67 120.54 2k2j s ASP 122 Ca 0.11 0.32 0.01 0.00 -0.52 0.00 0.00 52.55 52.47 2k2j s ASP 122 Cb -0.22 -2.01 0.02 0.00 -1.46 0.00 0.00 42.92 39.24 2k2j s ASP 122 CO -0.04 0.31 -0.05 0.42 0.52 0.00 0.00 175.17 176.33 2k2j s THR 123 N -0.43 0.56 -2.75 1.71 -4.23 -1.26 -5.32 115.64 103.91 2k2j s THR 123 Ca 0.11 -0.18 0.26 0.00 -1.18 0.00 0.00 61.69 60.70 2k2j s THR 123 Cb -0.12 -0.55 0.37 0.00 1.34 0.00 0.00 72.50 73.54 2k2j s THR 123 CO 0.02 0.21 1.50 0.29 -0.54 0.00 0.00 174.62 176.10