#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 -2.24 -3.88 1.97 5.02 -1.26 -4.94 118.16 112.83 2k2j n LYS 9 Ca 0.00 1.48 -0.12 0.00 -2.02 0.00 0.00 58.31 57.65 2k2j n LYS 9 Cb 0.00 -2.74 -0.13 0.00 -0.02 0.00 0.00 35.03 32.15 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k2j s ASP 10 N -6.40 0.00 -0.10 4.39 1.01 -1.26 -5.08 116.67 109.23 2k2j s ASP 10 Ca 0.00 -0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.16 2k2j s ASP 10 Cb 0.00 0.12 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 2k2j s ASP 10 CO 0.00 -0.10 -0.15 1.21 0.21 0.00 0.00 175.17 176.35 2k2j n GLU 11 N 2.66 0.31 -4.12 8.23 4.07 -1.26 -5.06 120.64 125.47 2k2j n GLU 11 Ca -0.15 0.35 -0.08 0.00 -0.06 0.00 0.00 57.16 57.21 2k2j n GLU 11 Cb 0.58 -1.28 -0.10 0.00 -0.06 0.00 0.00 31.44 30.58 2k2j n GLU 11 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2k2j s HIS 12 N -1.92 0.67 -0.20 4.31 -3.43 -1.26 -5.03 115.29 108.43 2k2j s HIS 12 Ca -0.12 -1.14 -0.10 0.00 -0.80 0.00 0.00 55.06 52.90 2k2j s HIS 12 Cb 0.02 -0.43 0.04 0.00 -1.43 0.00 0.00 32.58 30.77 2k2j s HIS 12 CO 0.18 -0.44 0.19 1.63 -2.00 0.00 0.00 174.74 174.30 2k2j n LYS 13 N 0.02 -4.20 -2.48 -0.38 5.02 -1.26 -4.85 118.16 110.02 2k2j n LYS 13 Ca -0.10 3.21 -0.42 0.00 -2.02 0.00 0.00 58.31 58.98 2k2j n LYS 13 Cb 0.62 -4.84 -0.03 0.00 -0.02 0.00 0.00 35.03 30.76 2k2j n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k2j s GLN 14 N -0.80 3.34 -0.06 1.97 -1.52 -1.26 -4.81 119.66 116.52 2k2j s GLN 14 Ca -0.22 0.25 0.04 0.00 -1.95 0.00 0.00 55.36 53.47 2k2j s GLN 14 Cb 0.01 -4.10 0.00 0.00 -0.22 0.00 0.00 33.01 28.70 2k2j s GLN 14 CO 0.74 -1.91 -0.18 -0.65 -0.25 0.00 0.00 175.29 173.05 2k2j s GLN 15 N 5.39 2.04 0.00 2.91 -0.21 -1.26 -0.64 119.66 127.89 2k2j s GLN 15 Ca 0.46 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2k2j s GLN 15 Cb -0.09 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.23 2k2j s GLN 15 CO 0.23 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2k2j n GLY 16 N 3.36 -0.65 3.08 3.09 0.00 -0.51 -4.97 105.19 108.59 2k2j n GLY 16 Ca -0.19 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.07 1.05 0.09 1.61 2.02 -1.26 -1.19 118.70 120.95 2k2j s GLU 17 Ca 0.00 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.46 2k2j s GLU 17 Cb 0.00 -1.01 -0.00 0.00 0.10 0.00 0.00 34.13 33.22 2k2j s GLU 17 CO 0.00 0.27 0.18 -0.51 0.02 0.00 0.00 175.26 175.21 2k2j s LEU 18 N -0.27 1.48 0.00 1.80 1.43 -0.86 -4.87 118.68 117.39 2k2j s LEU 18 Ca 0.04 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2k2j s LEU 18 Cb -0.05 0.98 -0.04 0.00 0.03 0.00 0.00 46.19 47.11 2k2j s LEU 18 CO -0.00 -0.73 0.03 -0.31 0.23 0.00 0.00 176.35 175.56 2k2j s TYR 19 N -3.87 3.14 -0.02 0.29 1.51 -1.17 -1.73 117.35 115.49 2k2j s TYR 19 Ca 0.06 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 2k2j s TYR 19 Cb 0.05 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2k2j s TYR 19 CO -0.10 0.49 0.05 -1.64 -1.11 0.00 0.00 175.55 173.23 2k2j s MET 20 N -1.65 0.05 0.06 -0.62 -1.94 -1.26 -2.19 119.30 111.75 2k2j s MET 20 Ca 0.21 0.08 -0.32 0.00 -1.71 0.00 0.00 55.69 53.94 2k2j s MET 20 Cb -0.12 0.01 -0.11 0.00 2.01 0.00 0.00 34.83 36.62 2k2j s MET 20 CO 0.12 -0.02 1.84 1.87 -0.01 0.00 0.00 175.02 178.82 2k2j n TRP 21 N 3.13 2.48 -3.62 -0.03 -0.00 -0.94 -4.30 117.44 114.17 2k2j n TRP 21 Ca -0.13 -0.10 -0.40 0.00 -0.00 0.00 0.00 57.50 56.87 2k2j n TRP 21 Cb 0.59 -2.70 -0.10 0.00 -0.00 0.00 0.00 31.31 29.10 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 3.14 5.60 0.00 5.87 1.01 -0.96 -4.83 116.67 126.50 2k2j s ASP 22 Ca 0.86 -1.58 0.30 0.00 0.71 0.00 0.00 52.55 52.83 2k2j s ASP 22 Cb -0.55 -1.97 1.69 0.00 1.01 0.00 0.00 42.92 43.10 2k2j s ASP 22 CO 0.42 -0.55 2.09 -1.54 0.21 0.00 0.00 175.17 175.80 2k2j n SER 23 N 4.89 0.00 -0.01 0.27 3.41 -1.26 0.28 113.62 121.19 2k2j n SER 23 Ca -0.09 -0.70 -0.16 0.00 -0.26 0.00 0.00 58.87 57.65 2k2j n SER 23 Cb 0.43 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.46 -0.00 -1.33 5.03 -1.95 -3.36 117.51 117.36 2k2j h ILE 24 Ca 0.00 -1.99 0.00 0.00 -0.12 0.00 0.00 64.86 62.75 2k2j h ILE 24 Cb 0.08 2.60 0.00 0.00 -3.03 0.00 0.00 36.82 36.47 2k2j h ILE 24 CO 0.00 0.57 0.00 0.47 -0.68 0.00 0.00 178.15 178.51 2k2j n ASP 25 N -4.32 1.14 -3.21 1.72 9.92 -1.22 -5.04 116.55 115.53 2k2j n ASP 25 Ca -0.10 -1.08 -0.10 0.00 -0.53 0.00 0.00 54.79 52.98 2k2j n ASP 25 Cb 0.60 -0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.09 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 0.07 -1.62 -3.85 -1.24 1.13 0.14 -5.02 117.38 106.99 2k2j n GLN 26 Ca 0.01 1.46 -0.01 0.00 -1.94 0.00 0.00 57.00 56.52 2k2j n GLN 26 Cb 0.04 -4.70 0.01 0.00 0.11 0.00 0.00 30.24 25.70 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 -3.30 0.91 -0.18 -1.09 -2.85 -0.98 -5.01 119.74 107.24 2k2j s LYS 27 Ca 0.08 -0.56 -0.06 0.00 -1.00 0.00 0.00 55.97 54.42 2k2j s LYS 27 Cb -0.02 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2k2j s LYS 27 CO 0.80 -0.42 0.04 -1.58 0.10 0.00 0.00 175.35 174.28 2k2j s TRP 28 N -2.31 3.18 0.30 1.78 0.52 -1.26 -2.26 118.94 118.89 2k2j s TRP 28 Ca 0.21 -0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.35 2k2j s TRP 28 Cb -0.01 -2.05 -0.06 0.00 -1.15 0.00 0.00 33.47 30.20 2k2j s TRP 28 CO 0.02 0.08 -0.05 0.95 0.02 0.00 0.00 176.95 177.96 2k2j s THR 29 N 0.43 1.74 -0.24 2.01 -4.23 -1.26 -5.05 115.64 109.04 2k2j s THR 29 Ca 0.01 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.24 2k2j s THR 29 Cb -0.13 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2k2j s THR 29 CO 0.01 -0.23 0.40 -0.60 -0.54 0.00 0.00 174.62 173.66 2k2j s ARG 30 N -3.72 4.09 0.32 3.99 3.52 -1.26 -4.07 118.95 121.82 2k2j s ARG 30 Ca 0.31 0.15 0.10 0.00 -0.13 0.00 0.00 55.73 56.16 2k2j s ARG 30 Cb 0.04 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 2k2j s ARG 30 CO 0.14 -0.18 -0.07 -1.01 -0.81 0.00 0.00 175.30 173.37 2k2j s HIS 31 N 1.77 2.47 -0.51 5.12 3.76 -0.71 -3.17 115.29 124.03 2k2j s HIS 31 Ca 0.18 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.62 2k2j s HIS 31 Cb -0.15 -1.31 0.13 0.00 1.11 0.00 0.00 32.58 32.36 2k2j s HIS 31 CO 0.09 0.58 0.36 -0.47 -0.85 0.00 0.00 174.74 174.44 2k2j s TYR 32 N -2.51 3.49 0.52 1.40 5.04 -1.26 -2.02 117.35 122.01 2k2j s TYR 32 Ca 0.33 -2.18 -0.05 0.00 -2.44 0.00 0.00 57.07 52.73 2k2j s TYR 32 Cb -0.01 -3.40 -0.01 0.00 0.35 0.00 0.00 41.96 38.88 2k2j s TYR 32 CO 0.18 -0.96 0.82 0.00 -1.34 0.00 0.00 175.55 174.24 2k2j s ALA 34 N -2.82 -2.85 -0.39 0.00 0.00 -1.12 -1.42 121.76 113.17 2k2j s ALA 34 Ca 0.50 1.79 -0.22 0.00 0.00 0.00 0.00 51.96 54.02 2k2j s ALA 34 Cb -0.10 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.79 2k2j s ALA 34 CO 0.44 -1.23 0.73 0.42 0.00 0.00 0.00 175.76 176.12 2k2j s ILE 35 N 2.77 4.76 -0.21 0.00 1.01 0.19 -2.19 121.20 127.53 2k2j s ILE 35 Ca 0.03 0.64 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 2k2j s ILE 35 Cb -0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 2k2j s ILE 35 CO -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 174.94 174.28 2k2j s ALA 36 N 3.02 2.91 0.00 9.38 0.00 0.53 -3.98 121.76 133.62 2k2j s ALA 36 Ca 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2k2j s ALA 36 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2k2j s ALA 36 CO 0.18 -0.26 0.00 -0.25 0.00 0.00 0.00 175.76 175.43 2k2j n ASP 37 N 4.47 0.00 0.00 0.00 9.92 -1.26 -1.12 116.55 128.55 2k2j n ASP 37 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 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 2.83 0.73 -2.48 2.24 0.00 -1.26 -5.03 120.51 117.54 2k2j n ALA 38 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 2k2j n ALA 38 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2k2j n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k2j s LYS 39 N 0.00 1.70 -0.19 0.00 1.02 -0.28 -4.35 119.74 117.64 2k2j s LYS 39 Ca 0.00 -1.69 0.01 0.00 0.02 0.00 0.00 55.97 54.31 2k2j s LYS 39 Cb 0.00 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2k2j s LYS 39 CO 0.00 0.35 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.44 2k2j s LEU 40 N -3.35 2.33 -0.23 3.17 2.96 -0.94 -0.34 118.68 122.28 2k2j s LEU 40 Ca 0.28 -0.79 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 2k2j s LEU 40 Cb -0.06 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2k2j s LEU 40 CO 0.14 -0.06 0.02 -0.94 -1.32 0.00 0.00 176.35 174.20 2k2j s SER 41 N 1.29 4.76 -0.15 3.68 1.04 -0.93 -0.58 113.70 122.81 2k2j s SER 41 Ca 0.02 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2k2j s SER 41 Cb -0.15 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2k2j s SER 41 CO -0.11 -0.02 0.03 0.72 0.98 0.00 0.00 173.24 174.84 2k2j s PHE 42 N 1.52 3.21 0.64 5.02 -0.71 -0.60 -2.80 117.98 124.26 2k2j s PHE 42 Ca 0.06 0.05 0.04 0.00 -1.04 0.00 0.00 56.93 56.04 2k2j s PHE 42 Cb -0.15 -1.98 0.10 0.00 -1.21 0.00 0.00 43.02 39.78 2k2j s PHE 42 CO 0.01 0.22 0.88 -1.12 -1.34 0.00 0.00 175.22 173.86 2k2j s SER 43 N 0.01 4.77 0.95 1.98 0.01 -1.02 -1.22 113.70 119.18 2k2j s SER 43 Ca 0.04 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 56.68 2k2j s SER 43 Cb -0.12 -0.01 0.16 0.00 0.21 0.00 0.00 66.02 66.25 2k2j s SER 43 CO 0.01 -1.55 1.09 1.51 0.41 0.00 0.00 173.24 174.71 2k2j s ASP 44 N -4.66 2.94 0.67 2.44 -4.77 -1.24 -4.14 116.67 107.90 2k2j s ASP 44 Ca 0.63 1.58 -0.17 0.00 -3.30 0.00 0.00 52.55 51.29 2k2j s ASP 44 Cb -0.06 -2.24 -0.01 0.00 -1.09 0.00 0.00 42.92 39.52 2k2j s ASP 44 CO 0.41 -2.99 1.09 0.47 0.70 0.00 0.00 175.17 174.85 2k2j n ASP 45 N -4.12 1.14 -0.51 2.11 8.00 -1.26 -4.34 116.55 117.57 2k2j n ASP 45 Ca 0.07 0.76 0.10 0.00 0.71 0.00 0.00 54.79 56.43 2k2j n ASP 45 Cb 0.55 -1.46 0.01 0.00 -0.02 0.00 0.00 41.12 40.20 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 -2.13 0.00 0.00 0.53 -5.35 -1.19 -4.49 119.36 106.74 2k2j n ILE 46 Ca 0.14 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2k2j n ILE 46 Cb 0.48 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 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 0.11 0.00 -0.78 6.28 0.28 -1.26 -4.89 120.64 120.38 2k2j n GLU 47 Ca 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.94 2k2j n GLU 47 Cb 0.44 -0.17 0.12 0.00 1.43 0.00 0.00 31.44 33.27 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 -0.94 1.87 0.06 3.44 1.13 -1.26 -4.59 117.38 117.09 2k2j n GLN 48 Ca 0.00 -1.93 -0.14 0.00 -1.94 0.00 0.00 57.00 53.00 2k2j n GLN 48 Cb 0.00 -1.76 -0.07 0.00 0.11 0.00 0.00 30.24 28.51 2k2j n GLN 48 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2k2j h THR 49 N 0.72 0.14 -5.34 5.09 1.35 -1.90 -3.46 112.91 109.51 2k2j h THR 49 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2k2j h THR 49 Cb 2.17 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2k2j h THR 49 CO 0.69 0.00 -0.99 0.23 -0.25 0.00 0.00 175.52 175.20 2k2j n MET 50 N -5.45 -3.00 -4.48 4.72 2.81 -1.26 -4.94 117.12 105.51 2k2j n MET 50 Ca -0.06 2.48 -0.25 0.00 -1.81 0.00 0.00 57.70 58.07 2k2j n MET 50 Cb 0.37 -4.72 -0.17 0.00 -0.71 0.00 0.00 33.22 27.99 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k2j s GLU 51 N -1.56 1.65 0.05 0.03 2.02 -1.26 -5.04 118.70 114.59 2k2j s GLU 51 Ca 0.01 -0.38 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 2k2j s GLU 51 Cb -0.00 -1.42 -0.15 0.00 0.10 0.00 0.00 34.13 32.67 2k2j s GLU 51 CO 0.67 -0.02 1.50 0.93 0.02 0.00 0.00 175.26 178.36 2k2j h GLU 52 N 7.14 0.14 0.00 1.61 5.08 -2.03 -3.37 114.58 123.15 2k2j h GLU 52 Ca -0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2k2j h GLU 52 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k2j h GLU 52 CO 0.47 0.37 -0.47 -3.47 -1.00 0.00 0.00 179.01 174.91 2k2j n ASP 53 N -4.86 0.00 -3.19 1.42 2.03 -1.26 -5.04 116.55 105.64 2k2j n ASP 53 Ca -0.06 -1.94 -0.05 0.00 0.52 0.00 0.00 54.79 53.26 2k2j n ASP 53 Cb 0.17 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 -7.27 0.26 1.67 4.13 -1.26 -4.95 115.26 107.84 2k2j n ASN 54 Ca 0.00 -0.24 -0.15 0.00 1.68 0.00 0.00 54.58 55.88 2k2j n ASN 54 Cb 0.69 -4.67 -0.08 0.00 -1.54 0.00 0.00 39.78 34.18 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k2j h PRO 55 N 0.31 -0.66 -5.03 3.52 0.11 -1.96 -3.46 132.00 124.84 2k2j h PRO 55 Ca -0.12 0.04 -0.36 0.00 0.11 0.00 0.00 66.00 65.68 2k2j h PRO 55 Cb 1.07 0.15 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2k2j h PRO 55 CO 0.31 -0.35 -0.76 -1.17 -0.21 0.00 0.00 178.00 175.82 2k2j s LEU 56 N -9.66 2.27 -0.30 2.35 2.96 -1.26 -5.06 118.68 109.97 2k2j s LEU 56 Ca -0.15 -0.58 0.20 0.00 -0.22 0.00 0.00 54.13 53.37 2k2j s LEU 56 Cb 0.02 -0.38 0.48 0.00 0.50 0.00 0.00 46.19 46.81 2k2j s LEU 56 CO 0.53 -0.12 1.13 0.61 -1.32 0.00 0.00 176.35 177.18 2k2j n GLY 57 N 1.37 1.71 3.73 7.98 0.00 -1.26 -5.12 105.19 113.60 2k2j n GLY 57 Ca -0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.13 1.71 0.00 1.61 1.04 -1.26 -5.06 113.70 108.61 2k2j s SER 58 Ca 0.25 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2k2j s SER 58 Cb 0.38 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2k2j s SER 58 CO -0.03 -3.61 0.00 -0.11 0.98 0.00 0.00 173.24 170.46 2k2j n LEU 59 N -4.39 0.13 -4.55 2.42 7.94 -1.26 -4.54 117.00 112.75 2k2j n LEU 59 Ca 0.15 0.08 -0.36 0.00 -1.11 0.00 0.00 56.01 54.77 2k2j n LEU 59 Cb 0.59 -0.39 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 2k2j n LEU 59 CO 0.44 -0.39 1.95 0.00 -1.11 0.00 0.00 177.39 178.28 2k2j n ARG 61 N 9.03 2.04 0.00 0.00 5.12 -0.36 -4.97 116.66 127.52 2k2j n ARG 61 Ca 0.35 -1.59 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 2k2j n ARG 61 Cb 0.54 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 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 1.25 4.35 2.91 -0.13 0.00 -1.21 -4.94 105.19 107.41 2k2j n GLY 62 Ca 0.16 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.38 -0.61 1.01 -1.26 -1.55 121.20 116.54 2k2j s ILE 63 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2k2j s ILE 63 Cb 0.00 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.36 2k2j s ILE 63 CO 0.00 -0.03 0.23 -0.76 0.00 0.00 0.00 174.94 174.39 2k2j s LEU 64 N -0.21 4.79 0.55 2.97 2.01 0.25 -4.92 118.68 124.13 2k2j s LEU 64 Ca -0.01 -0.92 0.31 0.00 0.01 0.00 0.00 54.13 53.51 2k2j s LEU 64 Cb -0.02 -2.07 1.47 0.00 0.01 0.00 0.00 46.19 45.59 2k2j s LEU 64 CO -0.00 -0.39 1.89 -2.24 1.01 0.00 0.00 176.35 176.61 2k2j h ASP 65 N 8.49 0.00 0.00 2.29 3.04 -1.88 -2.49 116.42 125.87 2k2j h ASP 65 Ca -0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 2k2j h ASP 65 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2k2j h ASP 65 CO 0.68 0.00 0.00 0.18 -2.04 0.00 0.00 179.24 178.06 2k2j n LEU 66 N -4.14 0.89 -0.13 0.15 4.77 -1.26 -4.44 117.00 112.83 2k2j n LEU 66 Ca 0.16 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2k2j n LEU 66 Cb 0.90 -1.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.18 2k2j n LEU 66 CO 0.36 -0.63 0.06 0.59 -1.33 0.00 0.00 177.39 176.44 2k2j n ASN 67 N -0.38 1.19 -3.11 -1.43 3.02 -1.26 -4.19 115.26 109.10 2k2j n ASN 67 Ca 0.00 -1.09 -0.17 0.00 -0.03 0.00 0.00 54.58 53.28 2k2j n ASN 67 Cb 0.19 0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 40.18 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2k2j n THR 68 N -1.02 -0.21 -4.02 3.41 -2.24 -1.26 -5.02 114.28 103.91 2k2j n THR 68 Ca 0.05 -4.00 -0.10 0.00 -2.27 0.00 0.00 64.05 57.73 2k2j n THR 68 Cb 0.33 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.80 0.49 -0.02 4.78 1.51 -1.26 -0.27 117.35 120.78 2k2j s TYR 69 Ca 0.37 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 2k2j s TYR 69 Cb 0.31 0.13 0.02 0.00 -0.11 0.00 0.00 41.96 42.32 2k2j s TYR 69 CO -0.08 -1.01 0.00 -0.80 -1.11 0.00 0.00 175.55 172.55 2k2j s ASN 70 N -3.06 0.32 -0.14 2.29 0.01 0.49 -4.85 114.94 110.02 2k2j s ASN 70 Ca 0.24 -0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.24 2k2j s ASN 70 Cb -0.00 -0.17 -0.05 0.00 0.41 0.00 0.00 41.25 41.44 2k2j s ASN 70 CO 0.11 -0.09 0.29 -0.69 -1.51 0.00 0.00 177.10 175.21 2k2j s VAL 71 N 0.90 5.29 -0.05 1.60 1.01 -1.26 -0.25 120.40 127.64 2k2j s VAL 71 Ca -0.09 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2k2j s VAL 71 Cb -0.12 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2k2j s VAL 71 CO -0.02 0.44 0.04 0.68 0.00 0.00 0.00 175.10 176.23 2k2j s VAL 72 N 0.12 0.08 -0.56 2.92 -7.23 -0.63 -4.97 120.40 110.13 2k2j s VAL 72 Ca 0.17 0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 60.36 2k2j s VAL 72 Cb -0.13 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.53 2k2j s VAL 72 CO 0.05 0.20 1.45 -0.75 -0.31 0.00 0.00 175.10 175.75 2k2j s LYS 73 N 1.99 3.25 -0.14 4.82 2.20 -1.26 -0.87 119.74 129.73 2k2j s LYS 73 Ca 0.04 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 55.82 2k2j s LYS 73 Cb -0.12 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 2k2j s LYS 73 CO -0.04 -2.00 1.29 0.00 -0.36 0.00 0.00 175.35 174.25 2k2j s ALA 74 N 6.28 3.63 0.00 3.13 0.00 0.37 -4.96 121.76 130.21 2k2j s ALA 74 Ca 0.54 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2k2j s ALA 74 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2k2j s ALA 74 CO 0.25 -1.13 0.05 -2.30 0.00 0.00 0.00 175.76 172.62 2k2j n PRO 75 N 6.43 0.00 0.29 0.00 -0.02 -1.26 -2.64 135.00 137.80 2k2j n PRO 75 Ca 0.14 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2k2j n PRO 75 Cb 0.45 -0.98 0.89 0.00 -0.02 0.00 0.00 33.50 33.84 2k2j n PRO 75 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2k2j h GLN 76 N 0.00 0.00 0.00 -0.52 4.15 -1.93 -3.42 115.11 113.39 2k2j h GLN 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k2j h GLN 76 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2k2j h GLN 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 2k2j n GLY 77 N -1.25 -0.79 0.00 2.39 0.00 -1.25 -4.74 105.19 99.55 2k2j n GLY 77 Ca -0.01 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2k2j n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k2j n LYS 78 N 0.00 0.96 0.00 1.61 4.76 -1.26 -4.95 118.16 119.29 2k2j n LYS 78 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k2j n LYS 78 Cb 0.00 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2k2j n LYS 78 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2k2j n ASN 79 N -0.55 0.00 0.00 4.39 3.02 -1.26 -4.99 115.26 115.87 2k2j n ASN 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k2j n ASN 79 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2j n GLN 80 N -0.63 1.20 -1.58 3.52 1.13 -1.26 -5.07 117.38 114.69 2k2j n GLN 80 Ca 0.00 -0.91 -0.09 0.00 -1.94 0.00 0.00 57.00 54.07 2k2j n GLN 80 Cb 0.00 -0.82 0.04 0.00 0.11 0.00 0.00 30.24 29.57 2k2j n GLN 80 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2k2j n LYS 81 N -0.23 0.55 0.04 -1.09 4.76 -1.26 -5.08 118.16 115.86 2k2j n LYS 81 Ca 0.00 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 2k2j n LYS 81 Cb 0.27 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 2k2j n LYS 81 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k2j n SER 82 N -2.86 0.28 -4.41 4.39 2.88 -1.26 -4.54 113.62 108.10 2k2j n SER 82 Ca 0.07 0.14 -0.45 0.00 -1.33 0.00 0.00 58.87 57.31 2k2j n SER 82 Cb 0.24 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k2j s PHE 83 N -2.00 3.20 0.21 0.66 0.08 -1.26 -3.81 117.98 115.06 2k2j s PHE 83 Ca 0.00 -1.38 0.11 0.00 0.12 0.00 0.00 56.93 55.78 2k2j s PHE 83 Cb 0.00 -4.15 -0.04 0.00 -0.57 0.00 0.00 43.02 38.26 2k2j s PHE 83 CO 0.00 -1.37 -0.17 0.08 -0.10 0.00 0.00 175.22 173.65 2k2j s VAL 84 N 2.28 2.69 -0.05 -0.44 1.01 -1.08 -3.90 120.40 120.91 2k2j s VAL 84 Ca 0.25 -1.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.25 2k2j s VAL 84 Cb -0.10 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2k2j s VAL 84 CO -0.05 -0.18 -0.01 -0.36 0.00 0.00 0.00 175.10 174.50 2k2j s PHE 85 N -1.88 0.55 -0.10 5.22 0.40 -0.77 0.14 117.98 121.55 2k2j s PHE 85 Ca 0.24 -0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 2k2j s PHE 85 Cb -0.08 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 2k2j s PHE 85 CO 0.13 -0.23 0.01 0.42 0.70 0.00 0.00 175.22 176.25 2k2j s ILE 86 N 1.45 4.37 -0.21 0.64 1.01 -0.05 -1.19 121.20 127.22 2k2j s ILE 86 Ca -0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2k2j s ILE 86 Cb -0.13 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2k2j s ILE 86 CO -0.03 0.58 0.14 -0.76 0.00 0.00 0.00 174.94 174.88 2k2j s LEU 87 N -0.66 4.18 -0.35 2.97 1.43 -0.14 -1.60 118.68 124.51 2k2j s LEU 87 Ca 0.11 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2k2j s LEU 87 Cb -0.12 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.08 2k2j s LEU 87 CO 0.02 0.14 0.08 -1.61 0.23 0.00 0.00 176.35 175.22 2k2j s GLU 88 N 0.60 2.16 0.70 1.70 2.02 0.65 -2.39 118.70 124.14 2k2j s GLU 88 Ca 0.08 -1.55 -0.16 0.00 0.02 0.00 0.00 54.97 53.35 2k2j s GLU 88 Cb -0.12 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.78 2k2j s GLU 88 CO 0.00 -0.83 1.17 -0.35 0.02 0.00 0.00 175.26 175.27 2k2j n PRO 89 N 4.57 0.75 -0.01 0.39 -0.04 -1.26 -0.38 135.00 139.02 2k2j n PRO 89 Ca -0.07 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2k2j n PRO 89 Cb 0.42 -2.41 0.03 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 -2.13 0.13 -3.60 0.54 5.02 0.63 -4.83 118.16 113.92 2k2j n LYS 90 Ca 0.15 -0.92 -0.36 0.00 -2.02 0.00 0.00 58.31 55.16 2k2j n LYS 90 Cb 0.49 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.33 2k2j n LYS 90 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k2j s GLN 91 N -0.49 4.23 0.49 1.97 0.74 -1.26 -4.91 119.66 120.44 2k2j s GLN 91 Ca 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2k2j s GLN 91 Cb 0.04 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2k2j s GLN 91 CO 0.06 0.24 0.00 1.04 -0.55 0.00 0.00 175.29 176.08 2k2j n GLN 92 N 3.62 0.00 -1.56 1.67 6.02 -1.26 -1.83 117.38 124.04 2k2j n GLN 92 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.81 2k2j n GLN 92 Cb 0.52 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.78 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 0.00 1.02 3.34 1.08 0.00 -1.26 -5.15 105.19 104.23 2k2j n GLY 93 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 -2.66 -4.88 1.61 8.00 -0.76 -4.98 116.55 112.37 2k2j n ASP 94 Ca -0.24 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 2k2j n ASP 94 Cb 0.76 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 2k2j n ASP 94 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2k2j s PRO 95 N -3.38 3.72 0.72 -0.24 0.04 -1.26 -4.67 135.00 129.92 2k2j s PRO 95 Ca 0.54 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 2k2j s PRO 95 Cb -0.20 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.07 2k2j s PRO 95 CO 0.69 -0.16 1.07 -1.25 0.04 0.00 0.00 177.00 177.39 2k2j s PRO 96 N -4.25 2.36 -0.03 0.56 0.04 -1.26 -4.58 135.00 127.84 2k2j s PRO 96 Ca 0.51 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2k2j s PRO 96 Cb -0.10 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.38 2k2j s PRO 96 CO 0.37 -1.23 0.00 0.08 0.04 0.00 0.00 177.00 176.26 2k2j s VAL 97 N -3.34 0.18 -0.03 -0.36 1.01 -1.00 -4.95 120.40 111.90 2k2j s VAL 97 Ca 0.59 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 2k2j s VAL 97 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2k2j s VAL 97 CO 0.48 0.15 0.29 -1.61 0.00 0.00 0.00 175.10 174.40 2k2j s GLU 98 N 1.08 3.67 0.13 2.72 8.01 -1.26 -0.96 118.70 132.09 2k2j s GLU 98 Ca -0.09 0.11 0.05 0.00 0.01 0.00 0.00 54.97 55.05 2k2j s GLU 98 Cb -0.13 -3.16 -0.04 0.00 -4.31 0.00 0.00 34.13 26.48 2k2j s GLU 98 CO -0.02 0.70 -0.12 -0.06 0.01 0.00 0.00 175.26 175.78 2k2j s PHE 99 N -1.13 1.30 -0.09 1.61 0.40 -0.33 -2.21 117.98 117.52 2k2j s PHE 99 Ca 0.22 -0.65 -0.28 0.00 -0.60 0.00 0.00 56.93 55.62 2k2j s PHE 99 Cb -0.14 -0.67 0.07 0.00 0.51 0.00 0.00 43.02 42.78 2k2j s PHE 99 CO 0.11 0.11 0.66 0.00 0.70 0.00 0.00 175.22 176.80 2k2j s ALA 100 N -2.66 -1.69 0.14 5.36 0.00 -0.93 -1.84 121.76 120.14 2k2j s ALA 100 Ca 0.12 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2k2j s ALA 100 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2k2j s ALA 100 CO 0.02 -0.35 0.02 0.25 0.00 0.00 0.00 175.76 175.70 2k2j n THR 101 N 1.32 0.00 0.04 0.00 -2.24 -1.25 -3.06 114.28 109.09 2k2j n THR 101 Ca -0.18 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2k2j n THR 101 Cb 0.57 0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2k2j n THR 101 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k2j n ASP 102 N -1.25 0.11 -4.12 3.42 2.03 -1.26 -4.91 116.55 110.58 2k2j n ASP 102 Ca -0.05 -0.56 -0.08 0.00 0.52 0.00 0.00 54.79 54.62 2k2j n ASP 102 Cb 0.17 0.93 -0.10 0.00 -0.72 0.00 0.00 41.12 41.40 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k2j s ARG 103 N -1.02 0.73 0.32 -0.67 0.52 -1.26 -5.04 118.95 112.53 2k2j s ARG 103 Ca 0.00 -1.30 0.14 0.00 -0.52 0.00 0.00 55.73 54.05 2k2j s ARG 103 Cb 0.01 0.16 0.49 0.00 0.52 0.00 0.00 34.95 36.13 2k2j s ARG 103 CO 0.04 -0.14 1.66 0.28 0.02 0.00 0.00 175.30 177.16 2k2j h VAL 104 N 3.04 1.18 0.15 3.52 2.07 -1.99 -2.70 116.25 121.52 2k2j h VAL 104 Ca -0.35 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2k2j h VAL 104 Cb 1.16 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2k2j h VAL 104 CO 0.64 0.50 -0.07 -0.33 0.02 0.00 0.00 177.57 178.33 2k2j h GLU 105 N 0.00 -0.19 -0.06 1.57 4.39 -1.99 -2.01 114.58 116.29 2k2j h GLU 105 Ca -0.01 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k2j h GLU 105 Cb 1.02 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2k2j h GLU 105 CO 0.07 0.23 0.02 0.93 -1.16 0.00 0.00 179.01 179.10 2k2j h GLU 106 N -0.71 0.08 0.45 2.33 5.08 -1.98 0.92 114.58 120.75 2k2j h GLU 106 Ca -0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k2j h GLU 106 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k2j h GLU 106 CO 0.03 0.08 -0.22 1.25 -1.00 0.00 0.00 179.01 179.16 2k2j h LEU 107 N 0.09 -0.51 -1.48 1.33 5.85 -1.42 -1.19 115.31 117.97 2k2j h LEU 107 Ca 0.02 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2k2j h LEU 107 Cb 0.03 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k2j h LEU 107 CO -0.00 -0.14 -0.26 0.15 -0.34 0.00 0.00 178.44 177.85 2k2j h PHE 108 N -0.95 0.00 0.22 1.25 3.57 -1.11 -1.14 116.94 118.78 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k2j h PHE 108 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2k2j h PHE 108 CO 0.01 0.26 -0.11 1.49 -2.23 0.00 0.00 178.31 177.74 2k2j h GLU 109 N 0.00 -0.28 -0.03 1.11 4.57 -0.80 -2.68 114.58 116.46 2k2j h GLU 109 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.53 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k2j h GLU 109 CO 0.03 -0.07 -0.02 -1.49 -1.18 0.00 0.00 179.01 176.28 2k2j h TRP 110 N -1.04 0.08 -0.41 0.92 4.06 -1.26 -2.81 115.95 115.50 2k2j h TRP 110 Ca -0.03 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.81 2k2j h TRP 110 Cb 0.35 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2k2j h TRP 110 CO 0.03 0.50 -0.07 0.74 -3.56 0.00 0.00 178.44 176.08 2k2j h PHE 111 N -0.37 0.87 -0.50 0.49 0.04 -1.37 -0.66 116.94 115.44 2k2j h PHE 111 Ca 0.01 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2k2j h PHE 111 Cb 0.49 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2k2j h PHE 111 CO 0.08 0.89 0.28 0.37 -0.60 0.00 0.00 178.31 179.33 2k2j h GLN 112 N 0.60 0.68 -0.19 1.51 5.75 -1.56 -0.73 115.11 121.18 2k2j h GLN 112 Ca 0.11 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2k2j h GLN 112 Cb 0.59 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 2k2j h GLN 112 CO 0.04 0.50 -0.10 1.03 -2.65 0.00 0.00 178.83 177.64 2k2j h SER 113 N 0.69 0.42 -0.61 -0.69 0.87 -1.20 0.18 113.55 113.22 2k2j h SER 113 Ca 0.18 -0.42 0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2k2j h SER 113 Cb 0.01 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 2k2j h SER 113 CO -0.03 0.75 0.41 0.40 -0.53 0.00 0.00 176.83 177.83 2k2j h ILE 114 N 0.09 0.86 0.01 2.23 2.04 -0.49 0.19 117.51 122.44 2k2j h ILE 114 Ca 0.04 -0.12 -0.23 0.00 1.00 0.00 0.00 64.86 65.55 2k2j h ILE 114 Cb 0.60 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2k2j h ILE 114 CO 0.03 0.06 -0.96 0.03 0.00 0.00 0.00 178.15 177.31 2k2j h ARG 115 N 0.35 0.42 0.00 2.37 3.08 -0.81 -2.58 114.38 117.22 2k2j h ARG 115 Ca 0.29 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2k2j h ARG 115 Cb 0.64 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2k2j h ARG 115 CO -0.07 1.13 0.02 0.93 -1.07 0.00 0.00 179.97 180.90 2k2j h GLU 116 N 0.23 0.00 0.00 0.04 5.08 0.25 1.10 114.58 121.28 2k2j h GLU 116 Ca -0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2k2j h GLU 116 Cb 1.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2k2j h GLU 116 CO 0.17 0.00 -1.88 -0.89 -1.00 0.00 0.00 179.01 175.40 2k2j n ILE 117 N -2.73 0.20 -0.01 3.13 5.41 -0.83 -4.31 119.36 120.22 2k2j n ILE 117 Ca -0.02 -0.47 -0.05 0.00 1.00 0.00 0.00 62.75 63.21 2k2j n ILE 117 Cb 0.07 -0.03 -0.02 0.00 -0.71 0.00 0.00 39.64 38.96 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 -2.21 1.11 0.34 1.39 -2.24 -0.44 -4.61 114.28 107.62 2k2j n THR 118 Ca -0.08 0.19 0.19 0.00 -2.27 0.00 0.00 64.05 62.09 2k2j n THR 118 Cb 0.57 -1.79 1.03 0.00 -2.10 0.00 0.00 70.33 68.03 2k2j n THR 118 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2k2j h TRP 119 N -0.35 0.00 -0.14 4.78 4.06 0.97 0.67 115.95 125.94 2k2j h TRP 119 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2k2j h TRP 119 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 2k2j h TRP 119 CO -0.12 0.00 0.00 1.17 -3.56 0.00 0.00 178.44 175.93 2k2j n LYS 120 N -3.00 1.96 -3.92 0.49 4.81 -0.90 -4.64 118.16 112.95 2k2j n LYS 120 Ca -0.02 -0.77 -0.31 0.00 -0.87 0.00 0.00 58.31 56.34 2k2j n LYS 120 Cb 0.22 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.43 2k2j n LYS 120 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2k2j s ILE 121 N -1.43 1.69 0.27 3.15 1.01 0.22 -5.02 121.20 121.09 2k2j s ILE 121 Ca 0.13 -1.76 0.12 0.00 0.00 0.00 0.00 60.65 59.14 2k2j s ILE 121 Cb 0.10 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2k2j s ILE 121 CO 0.04 -0.47 -0.18 1.51 0.00 0.00 0.00 174.94 175.85 2k2j s ASP 122 N 1.24 3.72 -0.06 3.58 -4.77 -1.26 -5.04 116.67 114.07 2k2j s ASP 122 Ca 0.05 -0.95 0.13 0.00 -3.30 0.00 0.00 52.55 48.48 2k2j s ASP 122 Cb -0.19 -0.38 0.40 0.00 -1.09 0.00 0.00 42.92 41.67 2k2j s ASP 122 CO -0.12 0.05 1.33 0.35 0.70 0.00 0.00 175.17 177.48 2k2j n THR 123 N -0.54 1.47 -0.46 2.11 -2.24 -1.26 -5.25 114.28 108.10 2k2j n THR 123 Ca -0.06 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 2k2j n THR 123 Cb 0.59 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79