#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j n LYS 9 N 0.00 -4.11 -2.68 1.97 4.81 -1.26 -4.75 118.16 112.14 2k2j n LYS 9 Ca 0.00 3.16 -0.04 0.00 -0.87 0.00 0.00 58.31 60.56 2k2j n LYS 9 Cb 0.00 -4.97 -0.03 0.00 0.02 0.00 0.00 35.03 30.04 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k2j n ASP 10 N 1.43 -2.66 -4.47 3.14 9.92 -1.26 -4.92 116.55 117.73 2k2j n ASP 10 Ca -0.28 1.33 -0.43 0.00 -0.53 0.00 0.00 54.79 54.88 2k2j n ASP 10 Cb 0.44 -4.96 -0.07 0.00 -0.64 0.00 0.00 41.12 35.89 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2k2j s GLU 11 N -0.85 3.17 0.03 -1.24 2.12 -1.26 -4.69 118.70 115.97 2k2j s GLU 11 Ca -0.20 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2k2j s GLU 11 Cb 0.01 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2k2j s GLU 11 CO 0.73 -1.11 0.00 1.58 -0.54 0.00 0.00 175.26 175.91 2k2j n HIS 12 N 6.15 -2.49 -1.74 5.30 -0.00 -1.26 -5.15 115.22 116.02 2k2j n HIS 12 Ca -0.05 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2k2j n HIS 12 Cb 0.46 0.70 0.00 0.00 -0.12 0.00 0.00 29.99 31.04 2k2j n HIS 12 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2k2j n LYS 13 N -2.56 -4.62 -2.90 1.57 5.02 -1.26 -4.86 118.16 108.55 2k2j n LYS 13 Ca 0.00 3.34 -0.43 0.00 -2.02 0.00 0.00 58.31 59.20 2k2j n LYS 13 Cb 0.00 -3.55 -0.05 0.00 -0.02 0.00 0.00 35.03 31.41 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 -1.42 3.36 0.06 1.97 2.00 -1.26 -4.98 119.66 119.39 2k2j s GLN 14 Ca 0.00 -0.22 0.02 0.00 -2.00 0.00 0.00 55.36 53.16 2k2j s GLN 14 Cb 0.00 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.77 2k2j s GLN 14 CO 0.00 -1.31 -0.08 -0.65 -0.50 0.00 0.00 175.29 172.75 2k2j s GLN 15 N 3.60 0.62 0.00 1.67 -0.21 -1.26 -2.31 119.66 121.77 2k2j s GLN 15 Ca 0.30 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 54.75 2k2j s GLN 15 Cb -0.13 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.59 2k2j s GLN 15 CO 0.20 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 2k2j n GLY 16 N 1.05 -0.50 3.39 3.09 0.00 -0.91 -4.99 105.19 106.32 2k2j n GLY 16 Ca -0.20 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 1.45 0.06 1.61 2.02 -1.26 -1.22 118.70 121.36 2k2j s GLU 17 Ca 0.00 -1.70 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 2k2j s GLU 17 Cb 0.00 -1.09 0.08 0.00 0.10 0.00 0.00 34.13 33.22 2k2j s GLU 17 CO 0.00 0.08 0.73 -1.17 0.02 0.00 0.00 175.26 174.92 2k2j s LEU 18 N -3.38 -0.50 -0.09 1.80 0.20 -0.47 -4.78 118.68 111.46 2k2j s LEU 18 Ca 0.27 0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.22 2k2j s LEU 18 Cb 0.02 2.36 -0.02 0.00 -0.43 0.00 0.00 46.19 48.12 2k2j s LEU 18 CO 0.10 -0.77 -0.13 -0.31 -0.29 0.00 0.00 176.35 174.95 2k2j s TYR 19 N -3.05 2.78 -0.02 5.38 1.51 -1.16 -1.89 117.35 120.90 2k2j s TYR 19 Ca 0.01 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2k2j s TYR 19 Cb -0.01 -1.74 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2k2j s TYR 19 CO -0.08 0.02 -0.11 -1.64 -1.11 0.00 0.00 175.55 172.63 2k2j s MET 20 N -0.23 1.01 -0.03 -0.62 -1.94 -1.26 -1.06 119.30 115.18 2k2j s MET 20 Ca 0.01 -0.39 -0.32 0.00 -1.71 0.00 0.00 55.69 53.29 2k2j s MET 20 Cb -0.13 -0.95 -0.10 0.00 2.01 0.00 0.00 34.83 35.66 2k2j s MET 20 CO 0.03 0.20 1.96 1.87 -0.01 0.00 0.00 175.02 179.07 2k2j n TRP 21 N 3.01 2.40 -3.45 -0.03 -0.00 -0.90 -4.37 117.44 114.10 2k2j n TRP 21 Ca -0.16 -0.22 -0.43 0.00 -0.00 0.00 0.00 57.50 56.69 2k2j n TRP 21 Cb 0.55 -2.75 -0.08 0.00 -0.00 0.00 0.00 31.31 29.03 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 4.60 5.98 0.00 5.87 1.01 -0.98 -4.80 116.67 128.35 2k2j s ASP 22 Ca 0.92 -1.43 0.30 0.00 0.71 0.00 0.00 52.55 53.04 2k2j s ASP 22 Cb -0.53 -2.12 1.70 0.00 1.01 0.00 0.00 42.92 42.98 2k2j s ASP 22 CO 0.46 -0.63 2.09 -1.54 0.21 0.00 0.00 175.17 175.76 2k2j n SER 23 N 5.11 0.00 0.00 0.27 3.41 -1.26 0.24 113.62 121.39 2k2j n SER 23 Ca -0.12 -0.72 -0.17 0.00 -0.26 0.00 0.00 58.87 57.60 2k2j n SER 23 Cb 0.43 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.42 -0.00 -1.33 1.08 -1.95 -3.35 117.51 113.37 2k2j h ILE 24 Ca 0.00 -2.07 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2k2j h ILE 24 Cb 0.07 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2k2j h ILE 24 CO 0.00 0.60 0.00 0.47 -0.69 0.00 0.00 178.15 178.53 2k2j n ASP 25 N -4.21 1.07 -3.24 1.72 8.00 -1.22 -5.04 116.55 113.62 2k2j n ASP 25 Ca -0.10 -1.04 -0.10 0.00 0.71 0.00 0.00 54.79 54.25 2k2j n ASP 25 Cb 0.67 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n GLN 26 N 0.03 -1.60 -3.83 -1.24 1.13 0.14 -5.01 117.38 106.99 2k2j n GLN 26 Ca 0.00 1.42 -0.01 0.00 -1.94 0.00 0.00 57.00 56.47 2k2j n GLN 26 Cb 0.02 -4.61 0.01 0.00 0.11 0.00 0.00 30.24 25.77 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 -3.37 0.88 -0.25 -1.09 -2.85 -0.99 -5.01 119.74 107.06 2k2j s LYS 27 Ca 0.07 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.97 54.42 2k2j s LYS 27 Cb -0.01 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2k2j s LYS 27 CO 0.80 -0.41 0.09 -1.58 0.10 0.00 0.00 175.35 174.35 2k2j s TRP 28 N -2.37 3.11 0.39 1.78 0.52 -1.26 -2.32 118.94 118.78 2k2j s TRP 28 Ca 0.20 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.07 2k2j s TRP 28 Cb -0.00 -2.26 -0.05 0.00 -1.15 0.00 0.00 33.47 30.00 2k2j s TRP 28 CO 0.01 -0.33 0.16 0.95 0.02 0.00 0.00 176.95 177.77 2k2j s THR 29 N 1.63 2.44 -0.15 2.01 -4.23 -1.26 -5.06 115.64 111.02 2k2j s THR 29 Ca 0.06 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 2k2j s THR 29 Cb -0.15 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 2k2j s THR 29 CO 0.05 -0.05 0.50 -0.13 -0.54 0.00 0.00 174.62 174.45 2k2j s ARG 30 N -3.88 4.28 0.03 3.99 0.52 -1.26 -4.27 118.95 118.36 2k2j s ARG 30 Ca 0.40 0.43 0.07 0.00 -0.52 0.00 0.00 55.73 56.12 2k2j s ARG 30 Cb 0.03 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 2k2j s ARG 30 CO 0.22 0.02 -0.22 -1.01 0.02 0.00 0.00 175.30 174.34 2k2j s HIS 31 N 1.06 1.93 -0.56 -0.53 3.76 -0.79 -2.53 115.29 117.62 2k2j s HIS 31 Ca 0.25 -0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 54.61 2k2j s HIS 31 Cb -0.15 -1.17 0.12 0.00 1.11 0.00 0.00 32.58 32.48 2k2j s HIS 31 CO 0.10 0.07 0.58 -0.47 -0.85 0.00 0.00 174.74 174.17 2k2j s TYR 32 N -0.73 3.15 0.47 1.40 5.04 -1.26 -1.36 117.35 124.06 2k2j s TYR 32 Ca 0.08 -1.17 0.01 0.00 -2.44 0.00 0.00 57.07 53.56 2k2j s TYR 32 Cb -0.09 -3.89 0.01 0.00 0.35 0.00 0.00 41.96 38.34 2k2j s TYR 32 CO 0.01 -1.13 0.68 0.00 -1.34 0.00 0.00 175.55 173.77 2k2j s ALA 34 N -2.57 -2.77 0.08 0.00 0.00 -0.41 -2.13 121.76 113.94 2k2j s ALA 34 Ca 0.51 1.89 -0.20 0.00 0.00 0.00 0.00 51.96 54.15 2k2j s ALA 34 Cb -0.10 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 2k2j s ALA 34 CO 0.37 -1.14 0.59 0.42 0.00 0.00 0.00 175.76 176.01 2k2j s ILE 35 N 2.68 4.71 -0.08 0.00 1.01 -0.98 -2.10 121.20 126.44 2k2j s ILE 35 Ca 0.01 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.90 2k2j s ILE 35 Cb -0.09 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k2j s ILE 35 CO -0.16 0.54 0.17 0.00 0.00 0.00 0.00 174.94 175.49 2k2j s ALA 36 N -1.05 -0.22 0.00 9.38 0.00 -0.16 -4.55 121.76 125.16 2k2j s ALA 36 Ca 0.30 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2k2j s ALA 36 Cb -0.20 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.16 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 5.10 0.00 -0.84 0.00 8.00 -1.26 -1.42 116.55 126.14 2k2j n ASP 37 Ca -0.09 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 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 1.60 2.51 -2.73 2.24 0.00 -1.26 -5.10 120.51 117.77 2k2j n ALA 38 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.35 2k2j n ALA 38 Cb 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 0.60 -0.27 0.00 1.02 -0.51 -4.23 119.74 116.36 2k2j s LYS 39 Ca 0.07 -0.38 -0.07 0.00 0.02 0.00 0.00 55.97 55.62 2k2j s LYS 39 Cb 0.08 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 2k2j s LYS 39 CO -0.04 0.14 0.07 -1.17 -0.92 0.00 0.00 175.35 173.43 2k2j s LEU 40 N -0.48 3.59 -0.19 3.17 2.96 -1.02 -0.99 118.68 125.72 2k2j s LEU 40 Ca 0.01 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2k2j s LEU 40 Cb -0.04 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2k2j s LEU 40 CO -0.00 -0.11 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.45 2k2j s SER 41 N 1.54 4.67 -0.02 3.68 0.01 -0.89 -0.59 113.70 122.10 2k2j s SER 41 Ca 0.04 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2k2j s SER 41 Cb -0.16 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 2k2j s SER 41 CO 0.02 0.07 -0.04 0.72 0.41 0.00 0.00 173.24 174.42 2k2j s PHE 42 N 0.97 2.97 0.45 2.43 -0.71 -0.73 -1.29 117.98 122.07 2k2j s PHE 42 Ca 0.01 0.03 0.08 0.00 -1.04 0.00 0.00 56.93 56.01 2k2j s PHE 42 Cb -0.14 -1.66 0.02 0.00 -1.21 0.00 0.00 43.02 40.03 2k2j s PHE 42 CO 0.01 0.40 0.60 0.45 -1.34 0.00 0.00 175.22 175.34 2k2j s SER 43 N -1.33 5.52 0.93 1.98 0.15 -0.31 -1.27 113.70 119.36 2k2j s SER 43 Ca 0.17 -0.52 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 2k2j s SER 43 Cb -0.11 -0.47 0.15 0.00 -1.71 0.00 0.00 66.02 63.87 2k2j s SER 43 CO 0.07 -0.86 1.09 -0.62 1.20 0.00 0.00 173.24 174.12 2k2j s ASP 44 N -4.39 3.20 0.21 5.45 2.15 -1.18 -4.07 116.67 118.04 2k2j s ASP 44 Ca 0.56 1.45 -0.29 0.00 0.43 0.00 0.00 52.55 54.70 2k2j s ASP 44 Cb -0.09 -2.13 -0.16 0.00 -0.30 0.00 0.00 42.92 40.24 2k2j s ASP 44 CO 0.34 -2.81 0.72 0.47 -0.17 0.00 0.00 175.17 173.72 2k2j n ASP 45 N -3.99 -0.36 -0.35 -0.34 8.00 -1.26 -4.45 116.55 113.80 2k2j n ASP 45 Ca 0.07 1.15 0.12 0.00 0.71 0.00 0.00 54.79 56.83 2k2j n ASP 45 Cb 0.55 -1.05 0.11 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.24 0.00 0.00 0.53 -5.35 -1.05 -4.62 119.36 109.11 2k2j n ILE 46 Ca 0.16 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2k2j n ILE 46 Cb 0.26 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 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 -0.42 0.00 -0.53 6.28 0.28 -1.26 -4.93 120.64 120.06 2k2j n GLU 47 Ca 0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 2k2j n GLU 47 Cb 0.41 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.37 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 -0.48 1.61 -1.64 3.44 -0.06 -1.26 -4.96 117.38 114.02 2k2j n GLN 48 Ca 0.00 -1.32 -0.38 0.00 -2.00 0.00 0.00 57.00 53.30 2k2j n GLN 48 Cb 0.00 -1.53 0.05 0.00 -4.06 0.00 0.00 30.24 24.70 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 -0.20 3.91 -0.97 1.69 -2.24 -1.26 -4.93 114.28 110.29 2k2j n THR 49 Ca 0.26 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2k2j n THR 49 Cb 1.00 -1.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.15 1.28 -1.64 -0.78 0.00 -1.26 -5.05 117.12 108.52 2k2j n MET 50 Ca 0.14 -1.67 -0.42 0.00 0.00 0.00 0.00 57.70 55.75 2k2j n MET 50 Cb 0.47 -1.02 -0.03 0.00 0.00 0.00 0.00 33.22 32.65 2k2j n MET 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2k2j n GLU 51 N -0.68 2.64 -0.03 0.03 1.02 -1.26 -4.88 120.64 117.48 2k2j n GLU 51 Ca 0.06 0.92 -0.12 0.00 -0.02 0.00 0.00 57.16 58.00 2k2j n GLU 51 Cb 0.53 -3.08 -0.08 0.00 -0.02 0.00 0.00 31.44 28.79 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 11.82 0.17 0.00 3.49 5.08 -2.04 -3.36 114.58 129.73 2k2j h GLU 52 Ca -0.48 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 2k2j h GLU 52 Cb 1.24 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2k2j h GLU 52 CO 0.95 0.51 -0.42 -0.25 -1.00 0.00 0.00 179.01 178.80 2k2j n ASP 53 N -4.77 0.85 -3.17 1.42 8.00 -1.26 -5.04 116.55 112.58 2k2j n ASP 53 Ca -0.07 -2.41 -0.04 0.00 0.71 0.00 0.00 54.79 52.99 2k2j n ASP 53 Cb 0.25 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.41 -7.36 0.01 -2.24 3.02 -1.26 -4.94 115.26 102.08 2k2j n ASN 54 Ca 0.06 -0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 2k2j n ASN 54 Cb 0.73 -4.76 -0.07 0.00 -0.61 0.00 0.00 39.78 35.06 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2k2j h PRO 55 N 0.34 0.05 -1.86 3.52 0.11 -1.96 -3.43 132.00 128.78 2k2j h PRO 55 Ca -0.10 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 2k2j h PRO 55 Cb 1.06 -0.01 -0.29 0.00 0.11 0.00 0.00 31.00 31.87 2k2j h PRO 55 CO 0.31 0.21 -0.46 -1.17 -0.21 0.00 0.00 178.00 176.68 2k2j s LEU 56 N -9.83 -0.69 -0.62 2.35 2.96 -1.26 -5.04 118.68 106.55 2k2j s LEU 56 Ca -0.14 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2k2j s LEU 56 Cb 0.05 1.20 0.32 0.00 0.50 0.00 0.00 46.19 48.26 2k2j s LEU 56 CO 0.67 -0.29 2.15 0.61 -1.32 0.00 0.00 176.35 178.17 2k2j n GLY 57 N 5.37 5.23 3.78 7.98 0.00 -1.26 -4.99 105.19 121.29 2k2j n GLY 57 Ca -0.04 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 2k2j n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k2j s SER 58 N -0.92 6.43 0.00 1.61 0.15 -1.26 -5.01 113.70 114.70 2k2j s SER 58 Ca 0.54 2.19 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2k2j s SER 58 Cb 0.42 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2k2j s SER 58 CO -0.16 -0.73 0.54 -0.11 1.20 0.00 0.00 173.24 173.99 2k2j n LEU 59 N -0.31 0.39 -4.63 3.45 -0.00 -1.26 -4.43 117.00 110.21 2k2j n LEU 59 Ca 0.06 0.63 -0.43 0.00 -0.00 0.00 0.00 56.01 56.28 2k2j n LEU 59 Cb 0.49 -0.29 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2k2j n LEU 59 CO 0.46 -0.29 1.48 0.00 -0.00 0.00 0.00 177.39 179.05 2k2j n ARG 61 N 7.79 0.67 -3.51 0.00 5.12 -0.40 -4.97 116.66 121.37 2k2j n ARG 61 Ca 0.21 -0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 56.00 2k2j n ARG 61 Cb 0.44 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 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 -5.04 -0.45 -0.08 -0.13 0.00 -1.15 -5.03 107.32 95.44 2k2j s GLY 62 Ca -0.08 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 2k2j s GLY 62 CO 0.86 0.32 0.16 -0.42 0.00 0.00 0.00 173.10 174.02 2k2j s ILE 63 N -3.13 -0.15 -0.52 0.90 1.01 -1.26 -1.78 121.20 116.27 2k2j s ILE 63 Ca 0.05 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 2k2j s ILE 63 Cb -0.01 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.22 2k2j s ILE 63 CO -0.09 0.11 0.82 -0.76 0.00 0.00 0.00 174.94 175.02 2k2j s LEU 64 N 1.70 4.37 0.62 2.97 2.01 0.24 -4.89 118.68 125.70 2k2j s LEU 64 Ca -0.04 -0.45 0.30 0.00 0.01 0.00 0.00 54.13 53.95 2k2j s LEU 64 Cb -0.12 -2.75 1.62 0.00 0.01 0.00 0.00 46.19 44.95 2k2j s LEU 64 CO -0.06 -1.06 1.97 0.44 1.01 0.00 0.00 176.35 178.65 2k2j h ASP 65 N 9.15 0.00 0.00 2.29 5.19 -1.88 -2.70 116.42 128.47 2k2j h ASP 65 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2k2j h ASP 65 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2k2j h ASP 65 CO 1.02 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 177.32 2k2j n LEU 66 N -3.40 0.80 -0.48 1.55 4.77 -1.26 -4.56 117.00 114.42 2k2j n LEU 66 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 2k2j n LEU 66 Cb 0.46 -1.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2k2j n LEU 66 CO 0.22 -0.42 0.34 0.59 -1.33 0.00 0.00 177.39 176.79 2k2j n ASN 67 N -0.04 1.91 -2.80 -1.43 4.13 -1.26 -4.49 115.26 111.28 2k2j n ASN 67 Ca 0.00 -1.46 -0.02 0.00 1.68 0.00 0.00 54.58 54.79 2k2j n ASN 67 Cb 0.02 0.35 0.05 0.00 -1.54 0.00 0.00 39.78 38.66 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 0.20 1.17 -4.04 3.41 -2.24 -1.26 -4.99 114.28 106.52 2k2j n THR 68 Ca 0.08 -2.88 -0.10 0.00 -2.27 0.00 0.00 64.05 58.88 2k2j n THR 68 Cb 0.39 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 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 -3.53 0.58 -0.08 4.78 2.02 -1.26 -0.21 117.35 119.65 2k2j s TYR 69 Ca 0.26 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2k2j s TYR 69 Cb 0.35 0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.99 2k2j s TYR 69 CO -0.03 -0.96 0.13 -0.80 -1.57 0.00 0.00 175.55 172.32 2k2j s ASN 70 N -3.07 0.98 -0.20 2.29 0.01 0.64 -4.84 114.94 110.75 2k2j s ASN 70 Ca 0.26 0.18 -0.15 0.00 -0.71 0.00 0.00 52.86 52.45 2k2j s ASN 70 Cb 0.01 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.74 2k2j s ASN 70 CO 0.11 -0.25 0.36 0.54 -1.51 0.00 0.00 177.10 176.35 2k2j s VAL 71 N 2.25 5.23 0.16 1.60 0.11 -1.25 0.24 120.40 128.73 2k2j s VAL 71 Ca 0.04 0.63 0.09 0.00 -2.93 0.00 0.00 61.98 59.81 2k2j s VAL 71 Cb -0.12 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2k2j s VAL 71 CO -0.05 0.28 -0.20 0.68 -3.33 0.00 0.00 175.10 172.47 2k2j s VAL 72 N 1.18 1.92 -0.50 2.04 -7.23 0.19 -4.93 120.40 113.06 2k2j s VAL 72 Ca 0.18 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 2k2j s VAL 72 Cb -0.14 -1.84 0.07 0.00 0.56 0.00 0.00 36.38 35.02 2k2j s VAL 72 CO 0.07 -0.21 0.57 -0.75 -0.31 0.00 0.00 175.10 174.47 2k2j s LYS 73 N -2.55 3.08 -0.23 4.82 2.20 -1.26 -0.82 119.74 124.98 2k2j s LYS 73 Ca 0.15 -1.05 -0.21 0.00 -0.36 0.00 0.00 55.97 54.50 2k2j s LYS 73 Cb -0.07 -4.12 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 2k2j s LYS 73 CO 0.07 -1.19 0.67 0.00 -0.36 0.00 0.00 175.35 174.54 2k2j s ALA 74 N 2.36 3.59 0.77 3.13 0.00 0.26 -4.98 121.76 126.89 2k2j s ALA 74 Ca 0.12 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2k2j s ALA 74 Cb -0.21 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.91 2k2j s ALA 74 CO 0.10 -0.75 1.13 -2.14 0.00 0.00 0.00 175.76 174.10 2k2j s PRO 75 N 2.37 2.20 -1.69 0.00 0.02 -1.26 -2.61 135.00 134.03 2k2j s PRO 75 Ca 0.29 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.43 2k2j s PRO 75 Cb -0.16 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2k2j s PRO 75 CO 0.09 -1.41 0.00 1.04 -0.33 0.00 0.00 177.00 176.39 2k2j n GLN 76 N -3.18 -1.42 0.00 5.54 6.02 -1.23 -4.62 117.38 118.48 2k2j n GLN 76 Ca 0.08 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2k2j n GLN 76 Cb 0.60 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.58 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 -0.37 1.19 1.06 1.08 0.00 -0.58 -4.69 105.19 102.89 2k2j n GLY 77 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 7.71 0.00 0.00 1.61 3.00 -1.26 -4.59 118.16 124.63 2k2j n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k2j n LYS 78 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 34.90 2k2j n LYS 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2k2j n ASN 79 N -2.03 0.00 -0.08 3.14 3.02 -1.26 -4.94 115.26 113.11 2k2j n ASN 79 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 2k2j n ASN 79 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.02 1.71 -2.22 3.52 6.02 -1.26 -5.05 117.38 119.07 2k2j n GLN 80 Ca 0.00 -1.79 -0.14 0.00 -0.01 0.00 0.00 57.00 55.06 2k2j n GLN 80 Cb 0.00 -1.10 0.06 0.00 1.02 0.00 0.00 30.24 30.21 2k2j n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k2j n LYS 81 N -0.78 0.56 0.00 -1.09 4.76 -1.26 -5.06 118.16 115.29 2k2j n LYS 81 Ca 0.06 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.46 2k2j n LYS 81 Cb 0.48 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 2k2j n LYS 81 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k2j n SER 82 N -2.66 3.58 -3.92 4.39 7.64 -1.26 -4.09 113.62 117.30 2k2j n SER 82 Ca 0.11 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 2k2j n SER 82 Cb 0.41 0.34 -0.16 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.73 2.38 0.01 1.43 0.08 -1.26 -1.53 117.98 117.37 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 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2k2j s PHE 83 CO 0.00 -0.79 -0.11 0.08 -0.10 0.00 0.00 175.22 174.30 2k2j s VAL 84 N 1.40 0.88 0.29 -0.44 1.01 -1.07 -3.87 120.40 118.59 2k2j s VAL 84 Ca -0.03 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.35 2k2j s VAL 84 Cb -0.19 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2k2j s VAL 84 CO -0.08 0.08 -0.07 -0.36 0.00 0.00 0.00 175.10 174.66 2k2j s PHE 85 N -0.58 2.50 -0.01 5.22 0.40 -0.42 0.89 117.98 125.98 2k2j s PHE 85 Ca 0.02 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2k2j s PHE 85 Cb -0.06 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.27 2k2j s PHE 85 CO 0.00 0.62 -0.04 0.42 0.70 0.00 0.00 175.22 176.92 2k2j s ILE 86 N -2.45 0.35 -0.19 0.64 1.01 0.00 -0.99 121.20 119.57 2k2j s ILE 86 Ca 0.32 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 2k2j s ILE 86 Cb -0.04 -0.32 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2k2j s ILE 86 CO 0.18 0.12 0.14 -0.76 0.00 0.00 0.00 174.94 174.62 2k2j s LEU 87 N 0.17 4.23 -0.29 2.97 1.43 0.02 -0.64 118.68 126.57 2k2j s LEU 87 Ca -0.02 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2k2j s LEU 87 Cb -0.05 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 44.12 2k2j s LEU 87 CO -0.00 0.19 -0.04 -1.61 0.23 0.00 0.00 176.35 175.11 2k2j s GLU 88 N 0.27 2.15 0.73 1.70 2.02 0.14 -2.40 118.70 123.31 2k2j s GLU 88 Ca 0.09 -1.44 -0.16 0.00 0.02 0.00 0.00 54.97 53.48 2k2j s GLU 88 Cb -0.11 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.07 2k2j s GLU 88 CO -0.01 -0.67 0.90 -0.35 0.02 0.00 0.00 175.26 175.15 2k2j n PRO 89 N 4.46 0.44 0.00 0.39 -0.04 -1.26 -0.26 135.00 138.72 2k2j n PRO 89 Ca -0.10 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2k2j n PRO 89 Cb 0.42 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.76 -0.16 0.00 0.54 5.02 0.70 -4.82 118.16 117.69 2k2j n LYS 90 Ca 0.12 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 2k2j n LYS 90 Cb 0.50 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 2k2j n LYS 90 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2k2j n GLN 91 N -0.09 0.00 0.00 1.97 -0.06 -1.26 -5.01 117.38 112.94 2k2j n GLN 91 Ca 0.00 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 2k2j n GLN 91 Cb 0.08 -1.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 2k2j n GLN 91 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2k2j n GLN 92 N -1.50 0.00 -1.67 3.69 6.02 -1.26 -5.01 117.38 117.66 2k2j n GLN 92 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2k2j n GLN 92 Cb 0.00 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.34 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 93 N -0.20 3.20 3.75 1.08 0.00 -1.26 -5.09 105.19 106.66 2k2j n GLY 93 Ca 0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.02 4.15 0.41 1.61 1.11 -1.26 -5.03 116.67 114.65 2k2j s ASP 94 Ca 0.36 1.91 -0.12 0.00 0.18 0.00 0.00 52.55 54.88 2k2j s ASP 94 Cb 0.37 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.76 2k2j s ASP 94 CO -0.08 -2.28 0.80 -2.16 1.18 0.00 0.00 175.17 172.64 2k2j s PRO 95 N -4.83 3.84 0.73 8.23 0.04 -1.26 -4.72 135.00 137.02 2k2j s PRO 95 Ca 0.63 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.16 2k2j s PRO 95 Cb -0.18 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.05 2k2j s PRO 95 CO 0.56 -0.05 1.08 -1.25 0.04 0.00 0.00 177.00 177.38 2k2j s PRO 96 N -3.76 2.35 -0.04 0.56 0.04 -1.26 -4.61 135.00 128.28 2k2j s PRO 96 Ca 0.53 0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 2k2j s PRO 96 Cb -0.10 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.39 2k2j s PRO 96 CO 0.29 -1.25 0.01 0.08 0.04 0.00 0.00 177.00 176.17 2k2j s VAL 97 N -3.36 0.20 -0.00 -0.36 1.01 -1.01 -4.95 120.40 111.93 2k2j s VAL 97 Ca 0.60 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2k2j s VAL 97 Cb -0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 2k2j s VAL 97 CO 0.48 0.19 0.36 -1.61 0.00 0.00 0.00 175.10 174.51 2k2j s GLU 98 N 1.46 3.80 0.14 2.72 8.01 -1.26 -0.80 118.70 132.77 2k2j s GLU 98 Ca -0.03 0.26 0.06 0.00 0.01 0.00 0.00 54.97 55.26 2k2j s GLU 98 Cb -0.13 -3.16 -0.04 0.00 -4.31 0.00 0.00 34.13 26.49 2k2j s GLU 98 CO -0.03 0.68 -0.13 -0.06 0.01 0.00 0.00 175.26 175.73 2k2j s PHE 99 N -1.15 1.41 0.22 1.61 0.40 -0.16 -2.12 117.98 118.20 2k2j s PHE 99 Ca 0.25 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 2k2j s PHE 99 Cb -0.15 -0.72 0.04 0.00 0.51 0.00 0.00 43.02 42.70 2k2j s PHE 99 CO 0.13 0.16 0.64 0.00 0.70 0.00 0.00 175.22 176.86 2k2j s ALA 100 N -2.57 -1.34 0.05 5.36 0.00 -0.22 -1.30 121.76 121.75 2k2j s ALA 100 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2k2j s ALA 100 Cb -0.02 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2k2j s ALA 100 CO 0.03 -0.90 0.03 0.25 0.00 0.00 0.00 175.76 175.18 2k2j n THR 101 N -0.41 0.00 -0.24 0.00 -2.24 -1.25 -2.98 114.28 107.15 2k2j n THR 101 Ca -0.10 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2k2j n THR 101 Cb 0.62 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.55 1.15 -3.88 3.42 9.92 -1.26 -4.85 116.55 118.52 2k2j n ASP 102 Ca 0.00 -1.40 -0.10 0.00 -0.53 0.00 0.00 54.79 52.77 2k2j n ASP 102 Cb 0.09 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.40 0.62 0.24 -1.24 0.52 -1.26 -5.05 118.95 112.38 2k2j s ARG 103 Ca 0.00 -0.62 0.07 0.00 -0.52 0.00 0.00 55.73 54.66 2k2j s ARG 103 Cb 0.00 0.25 0.25 0.00 0.52 0.00 0.00 34.95 35.97 2k2j s ARG 103 CO 0.00 -0.16 1.55 -0.39 0.02 0.00 0.00 175.30 176.32 2k2j h VAL 104 N 3.69 1.44 0.01 3.52 -1.51 -1.99 -2.13 116.25 119.29 2k2j h VAL 104 Ca -0.32 -2.19 -0.00 0.00 -1.23 0.00 0.00 66.70 62.96 2k2j h VAL 104 Cb 1.19 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 32.51 2k2j h VAL 104 CO 0.47 0.63 -0.00 -0.33 -1.23 0.00 0.00 177.57 177.11 2k2j h GLU 105 N 0.08 -0.01 -0.29 5.19 5.08 -1.98 -2.05 114.58 120.59 2k2j h GLU 105 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k2j h GLU 105 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k2j h GLU 105 CO 0.09 0.54 0.10 0.93 -1.00 0.00 0.00 179.01 179.68 2k2j h GLU 106 N -0.57 0.40 0.50 2.33 4.39 -1.98 0.14 114.58 119.79 2k2j h GLU 106 Ca -0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2k2j h GLU 106 Cb 0.56 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k2j h GLU 106 CO 0.00 0.35 -0.24 1.25 -1.16 0.00 0.00 179.01 179.21 2k2j h LEU 107 N 0.40 -0.57 -1.63 1.33 5.85 -1.34 -0.98 115.31 118.37 2k2j h LEU 107 Ca 0.10 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2k2j h LEU 107 Cb 0.10 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2k2j h LEU 107 CO -0.01 -0.26 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.36 2k2j h PHE 108 N -0.88 0.00 0.29 1.25 -1.00 -1.13 -1.05 116.94 114.42 2k2j h PHE 108 Ca -0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 2k2j h PHE 108 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2k2j h PHE 108 CO -0.00 0.21 -0.14 1.49 -1.61 0.00 0.00 178.31 178.25 2k2j h GLU 109 N 0.00 -0.38 -0.09 1.51 4.81 -0.60 -2.35 114.58 117.48 2k2j h GLU 109 Ca -0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2k2j h GLU 109 Cb 0.43 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2k2j h GLU 109 CO 0.03 -0.13 -0.05 -1.49 -0.73 0.00 0.00 179.01 176.64 2k2j h TRP 110 N -1.04 0.22 -0.03 0.92 4.06 -1.19 -2.83 115.95 116.06 2k2j h TRP 110 Ca -0.04 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.77 2k2j h TRP 110 Cb 0.43 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2k2j h TRP 110 CO 0.03 0.56 -0.38 0.74 -3.56 0.00 0.00 178.44 175.83 2k2j h PHE 111 N -0.18 0.07 -0.26 0.49 0.04 -1.35 -1.98 116.94 113.75 2k2j h PHE 111 Ca 0.02 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2k2j h PHE 111 Cb 0.50 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2k2j h PHE 111 CO 0.07 0.43 -0.39 0.37 -0.60 0.00 0.00 178.31 178.19 2k2j h GLN 112 N 0.05 0.62 0.01 1.51 -0.00 -1.43 -2.33 115.11 113.53 2k2j h GLN 112 Ca 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.65 58.34 2k2j h GLN 112 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.18 2k2j h GLN 112 CO 0.05 0.90 -0.00 1.03 0.00 0.00 0.00 178.83 180.81 2k2j h SER 113 N 0.51 -0.01 -0.81 -0.69 0.87 -1.21 0.24 113.55 112.46 2k2j h SER 113 Ca 0.05 -0.31 0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2k2j h SER 113 Cb 0.90 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.81 2k2j h SER 113 CO 0.08 0.31 0.54 0.40 -0.53 0.00 0.00 176.83 177.62 2k2j h ILE 114 N -0.32 0.81 0.00 2.23 2.04 -1.34 0.31 117.51 121.24 2k2j h ILE 114 Ca -0.00 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 2k2j h ILE 114 Cb 0.31 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2k2j h ILE 114 CO 0.00 0.10 -0.67 0.03 0.00 0.00 0.00 178.15 177.60 2k2j h ARG 115 N 0.52 0.00 -0.08 2.37 3.08 -1.10 -3.19 114.38 115.98 2k2j h ARG 115 Ca 0.40 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.48 2k2j h ARG 115 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2k2j h ARG 115 CO -0.15 0.67 0.12 0.93 -1.07 0.00 0.00 179.97 180.47 2k2j h GLU 116 N 0.00 0.00 0.08 0.04 5.08 0.31 0.69 114.58 120.78 2k2j h GLU 116 Ca -0.01 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 2k2j h GLU 116 Cb 1.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 2k2j h GLU 116 CO 0.09 0.00 -2.15 -0.89 -1.00 0.00 0.00 179.01 175.06 2k2j n ILE 117 N -3.58 1.67 -0.04 3.13 -0.00 -1.17 -3.99 119.36 115.39 2k2j n ILE 117 Ca -0.01 -0.60 -0.03 0.00 -0.00 0.00 0.00 62.75 62.11 2k2j n ILE 117 Cb 0.22 -1.64 -0.01 0.00 -0.00 0.00 0.00 39.64 38.20 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 -3.46 0.71 0.20 1.39 -2.24 -0.93 -4.38 114.28 105.57 2k2j n THR 118 Ca -0.37 0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.94 2k2j n THR 118 Cb 1.01 -1.93 0.82 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.49 0.00 -3.58 4.78 2.91 -0.01 -3.39 115.95 116.18 2k2j h TRP 119 Ca 0.00 0.00 -0.53 0.00 1.13 0.00 0.00 58.89 59.49 2k2j h TRP 119 Cb 0.34 0.00 -0.33 0.00 -0.51 0.00 0.00 29.16 28.67 2k2j h TRP 119 CO -0.15 0.00 -0.82 0.15 -1.03 0.00 0.00 178.44 176.59 2k2j s LYS 120 N -4.49 1.76 -0.37 2.65 1.02 0.35 -4.97 119.74 115.69 2k2j s LYS 120 Ca -0.04 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2k2j s LYS 120 Cb 0.14 -1.47 0.10 0.00 -0.52 0.00 0.00 37.83 36.09 2k2j s LYS 120 CO 0.48 0.11 0.10 0.42 -0.92 0.00 0.00 175.35 175.54 2k2j s ILE 121 N 0.43 2.60 0.21 2.17 -1.09 -1.26 -3.84 121.20 120.41 2k2j s ILE 121 Ca -0.11 -2.30 0.03 0.00 -2.23 0.00 0.00 60.65 56.04 2k2j s ILE 121 Cb -0.14 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 2k2j s ILE 121 CO 0.03 -0.63 0.35 -1.81 -1.23 0.00 0.00 174.94 171.65 2k2j s ASP 122 N 1.14 6.34 0.00 3.58 1.01 -1.26 -4.98 116.67 122.49 2k2j s ASP 122 Ca 0.10 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.56 2k2j s ASP 122 Cb -0.20 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.81 2k2j s ASP 122 CO -0.07 -0.04 0.00 1.07 0.21 0.00 0.00 175.17 176.34 2k2j n THR 123 N -1.01 0.00 -1.95 -1.27 5.66 -1.26 -5.19 114.28 109.27 2k2j n THR 123 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2k2j n THR 123 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2k2j n THR 123 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19