#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 4.17 0.00 1.64 2.20 -1.26 -4.85 119.74 121.64 2k2j s LYS 9 Ca 0.00 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2k2j s LYS 9 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2k2j s LYS 9 CO 0.00 -0.23 0.00 -3.47 -0.36 0.00 0.00 175.35 171.29 2k2j n ASP 10 N 5.04 1.26 -4.70 1.43 -0.08 -1.26 -5.06 116.55 113.18 2k2j n ASP 10 Ca -0.03 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.83 2k2j n ASP 10 Cb 0.50 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 44.16 2k2j n ASP 10 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2k2j s GLU 11 N -0.67 4.25 -0.02 -0.67 2.12 -1.26 -5.00 118.70 117.45 2k2j s GLU 11 Ca 0.00 2.22 -0.08 0.00 0.36 0.00 0.00 54.97 57.46 2k2j s GLU 11 Cb 0.00 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2k2j s GLU 11 CO 0.00 -0.60 0.27 -1.58 -0.54 0.00 0.00 175.26 172.81 2k2j s HIS 12 N 1.81 3.61 0.44 5.30 5.65 -1.26 -5.07 115.29 125.77 2k2j s HIS 12 Ca 0.69 0.64 -0.25 0.00 0.25 0.00 0.00 55.06 56.39 2k2j s HIS 12 Cb -0.39 -2.03 -0.08 0.00 -1.18 0.00 0.00 32.58 28.90 2k2j s HIS 12 CO 0.30 0.64 1.35 0.15 -0.65 0.00 0.00 174.74 176.53 2k2j s LYS 13 N -1.51 3.75 -0.42 2.88 1.02 -1.26 -4.98 119.74 119.22 2k2j s LYS 13 Ca 0.25 2.24 -0.13 0.00 0.02 0.00 0.00 55.97 58.34 2k2j s LYS 13 Cb -0.14 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2k2j s LYS 13 CO 0.13 -0.70 0.29 -1.14 -0.92 0.00 0.00 175.35 173.02 2k2j s GLN 14 N -2.43 2.87 0.02 1.68 2.00 -1.26 -5.06 119.66 117.49 2k2j s GLN 14 Ca 0.61 -1.19 0.01 0.00 -2.00 0.00 0.00 55.36 52.79 2k2j s GLN 14 Cb -0.40 -3.92 -0.02 0.00 0.80 0.00 0.00 33.01 29.48 2k2j s GLN 14 CO 0.51 -0.84 -0.05 -0.65 -0.50 0.00 0.00 175.29 173.76 2k2j s GLN 15 N 1.60 0.36 0.00 1.67 -0.21 -1.26 -2.51 119.66 119.30 2k2j s GLN 15 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2k2j s GLN 15 Cb -0.21 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.68 2k2j s GLN 15 CO 0.07 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 2k2j n GLY 16 N 1.94 -0.56 3.33 3.09 0.00 -0.60 -5.00 105.19 107.40 2k2j n GLY 16 Ca -0.20 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 1.26 0.30 1.61 8.01 -1.26 -0.44 118.70 128.13 2k2j s GLU 17 Ca 0.00 -1.34 -0.08 0.00 0.01 0.00 0.00 54.97 53.56 2k2j s GLU 17 Cb 0.00 -1.42 0.00 0.00 -4.31 0.00 0.00 34.13 28.40 2k2j s GLU 17 CO 0.00 0.31 0.49 -0.51 0.01 0.00 0.00 175.26 175.56 2k2j s LEU 18 N -2.41 0.62 -0.01 1.80 1.43 -0.87 -4.82 118.68 114.43 2k2j s LEU 18 Ca 0.13 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 2k2j s LEU 18 Cb -0.07 1.68 -0.01 0.00 0.03 0.00 0.00 46.19 47.81 2k2j s LEU 18 CO 0.06 -1.25 -0.12 -0.31 0.23 0.00 0.00 176.35 174.97 2k2j s TYR 19 N -3.45 1.05 0.08 0.29 1.51 -1.22 -2.59 117.35 113.02 2k2j s TYR 19 Ca 0.26 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 2k2j s TYR 19 Cb -0.01 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 2k2j s TYR 19 CO 0.14 -0.03 -0.12 -1.64 -1.11 0.00 0.00 175.55 172.79 2k2j s MET 20 N -0.22 0.79 -0.47 -0.62 -1.94 -1.25 -2.25 119.30 113.33 2k2j s MET 20 Ca 0.04 -0.99 -0.28 0.00 -1.71 0.00 0.00 55.69 52.74 2k2j s MET 20 Cb -0.05 -0.66 0.00 0.00 2.01 0.00 0.00 34.83 36.13 2k2j s MET 20 CO -0.00 0.13 1.57 -0.46 -0.01 0.00 0.00 175.02 176.25 2k2j s TRP 21 N -1.66 2.12 -0.71 -0.03 -0.00 -0.97 -3.91 118.94 113.77 2k2j s TRP 21 Ca -0.01 0.61 -0.27 0.00 -0.00 0.00 0.00 56.10 56.43 2k2j s TRP 21 Cb -0.08 -4.26 0.03 0.00 -0.00 0.00 0.00 33.47 29.16 2k2j s TRP 21 CO 0.01 -2.25 1.30 0.34 -0.00 0.00 0.00 176.95 176.35 2k2j s ASP 22 N 5.20 6.16 0.00 5.86 2.15 -0.45 -4.84 116.67 130.74 2k2j s ASP 22 Ca 0.63 -0.33 0.17 0.00 0.43 0.00 0.00 52.55 53.46 2k2j s ASP 22 Cb -0.15 -2.56 1.02 0.00 -0.30 0.00 0.00 42.92 40.94 2k2j s ASP 22 CO 0.29 -1.82 1.46 -1.54 -0.17 0.00 0.00 175.17 173.40 2k2j n SER 23 N 9.41 0.00 -0.06 -0.34 3.41 -1.26 0.14 113.62 124.92 2k2j n SER 23 Ca 0.05 -0.84 -0.04 0.00 -0.26 0.00 0.00 58.87 57.78 2k2j n SER 23 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 2k2j n SER 23 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k2j n ILE 24 N -0.89 1.20 1.13 -1.33 5.41 -1.26 -4.47 119.36 119.15 2k2j n ILE 24 Ca 0.13 0.26 0.12 0.00 1.00 0.00 0.00 62.75 64.26 2k2j n ILE 24 Cb 0.06 -2.26 0.20 0.00 -0.71 0.00 0.00 39.64 36.93 2k2j n ILE 24 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k2j n ASP 25 N -4.25 1.46 -3.07 4.38 9.92 -1.24 -5.00 116.55 118.75 2k2j n ASP 25 Ca -0.06 -1.16 -0.06 0.00 -0.53 0.00 0.00 54.79 52.98 2k2j n ASP 25 Cb 0.22 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 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 -0.41 -1.68 -2.78 -1.24 3.00 0.12 -5.03 117.38 109.36 2k2j n GLN 26 Ca 0.11 1.63 -0.02 0.00 -0.01 0.00 0.00 57.00 58.71 2k2j n GLN 26 Cb 0.40 -5.34 0.01 0.00 0.00 0.00 0.00 30.24 25.32 2k2j n GLN 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2k2j n LYS 27 N -1.33 0.37 -3.82 -1.09 2.85 -1.09 -4.99 118.16 109.06 2k2j n LYS 27 Ca 0.01 -0.84 -0.36 0.00 -1.05 0.00 0.00 58.31 56.06 2k2j n LYS 27 Cb 0.51 1.13 -0.13 0.00 -0.65 0.00 0.00 35.03 35.89 2k2j n LYS 27 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k2j s TRP 28 N -3.88 3.24 -0.00 5.58 0.52 -1.26 -1.35 118.94 121.79 2k2j s TRP 28 Ca 0.13 -1.57 -0.02 0.00 0.02 0.00 0.00 56.10 54.66 2k2j s TRP 28 Cb -0.02 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2k2j s TRP 28 CO 0.03 -0.75 0.18 0.95 0.02 0.00 0.00 176.95 177.39 2k2j s THR 29 N 1.35 5.42 -0.23 2.01 -4.23 -1.25 -4.99 115.64 113.72 2k2j s THR 29 Ca -0.03 -0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.09 2k2j s THR 29 Cb -0.19 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 2k2j s THR 29 CO 0.01 0.31 0.64 -0.60 -0.54 0.00 0.00 174.62 174.44 2k2j s ARG 30 N -2.00 4.16 -0.01 3.99 3.52 -1.26 -3.95 118.95 123.39 2k2j s ARG 30 Ca 0.28 0.60 0.05 0.00 -0.13 0.00 0.00 55.73 56.54 2k2j s ARG 30 Cb -0.13 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2k2j s ARG 30 CO 0.20 -0.34 -0.17 -3.38 -0.81 0.00 0.00 175.30 170.79 2k2j s HIS 31 N 2.26 1.54 -0.53 5.12 -3.43 -1.07 -2.96 115.29 116.22 2k2j s HIS 31 Ca 0.28 -0.30 -0.28 0.00 -0.80 0.00 0.00 55.06 53.96 2k2j s HIS 31 Cb -0.16 -0.99 0.02 0.00 -1.43 0.00 0.00 32.58 30.02 2k2j s HIS 31 CO 0.09 -0.03 1.33 -0.47 -2.00 0.00 0.00 174.74 173.66 2k2j s TYR 32 N -0.37 2.44 0.35 0.38 5.04 -1.26 -2.04 117.35 121.88 2k2j s TYR 32 Ca 0.06 0.51 -0.03 0.00 -2.44 0.00 0.00 57.07 55.17 2k2j s TYR 32 Cb -0.07 -4.42 -0.04 0.00 0.35 0.00 0.00 41.96 37.78 2k2j s TYR 32 CO -0.01 -1.81 0.60 0.00 -1.34 0.00 0.00 175.55 173.00 2k2j s ALA 34 N -2.29 -2.43 -0.31 0.00 0.00 -1.19 -1.55 121.76 113.99 2k2j s ALA 34 Ca 0.43 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 54.15 2k2j s ALA 34 Cb -0.10 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 2k2j s ALA 34 CO 0.35 -1.17 0.70 0.42 0.00 0.00 0.00 175.76 176.07 2k2j s ILE 35 N 2.82 4.86 -0.21 0.00 1.01 -1.04 -2.44 121.20 126.20 2k2j s ILE 35 Ca 0.06 0.98 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 2k2j s ILE 35 Cb -0.12 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 2k2j s ILE 35 CO -0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 174.94 174.46 2k2j s ALA 36 N 2.78 2.69 0.00 9.38 0.00 0.39 -4.53 121.76 132.47 2k2j s ALA 36 Ca 0.28 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2k2j s ALA 36 Cb -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2k2j s ALA 36 CO 0.12 -0.39 0.00 -0.25 0.00 0.00 0.00 175.76 175.24 2k2j n ASP 37 N 4.72 0.00 0.00 0.00 9.92 -1.26 -1.34 116.55 128.59 2k2j n ASP 37 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 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 1.47 0.60 -2.54 2.24 0.00 -1.26 -5.11 120.51 115.91 2k2j n ALA 38 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 2k2j n ALA 38 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 1.96 -0.17 0.00 1.02 -0.45 -4.31 119.74 117.79 2k2j s LYS 39 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.29 2k2j s LYS 39 Cb 0.00 -1.90 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 2k2j s LYS 39 CO 0.00 0.26 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.41 2k2j s LEU 40 N -3.62 1.82 -0.28 3.17 2.96 -0.75 -0.46 118.68 121.52 2k2j s LEU 40 Ca 0.32 -0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 2k2j s LEU 40 Cb -0.03 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2k2j s LEU 40 CO 0.18 -0.12 0.13 -0.94 -1.32 0.00 0.00 176.35 174.28 2k2j s SER 41 N 1.51 5.48 -0.23 3.68 1.04 -1.02 0.04 113.70 124.19 2k2j s SER 41 Ca 0.02 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2k2j s SER 41 Cb -0.14 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 2k2j s SER 41 CO -0.09 -0.12 0.15 0.72 0.98 0.00 0.00 173.24 174.88 2k2j s PHE 42 N 1.64 3.32 0.75 5.02 -0.12 -0.86 -3.15 117.98 124.58 2k2j s PHE 42 Ca 0.06 0.22 -0.05 0.00 -0.05 0.00 0.00 56.93 57.10 2k2j s PHE 42 Cb -0.16 -2.24 0.12 0.00 -0.63 0.00 0.00 43.02 40.10 2k2j s PHE 42 CO 0.06 0.10 1.05 -1.54 -0.05 0.00 0.00 175.22 174.84 2k2j s SER 43 N 0.91 4.30 0.98 1.98 1.04 -1.04 -2.29 113.70 119.58 2k2j s SER 43 Ca 0.07 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 2k2j s SER 43 Cb -0.13 -0.46 0.18 0.00 0.10 0.00 0.00 66.02 65.71 2k2j s SER 43 CO 0.03 -1.91 1.10 1.51 0.98 0.00 0.00 173.24 174.95 2k2j s ASP 44 N -4.68 2.47 0.25 7.02 -4.77 -1.21 -4.24 116.67 111.51 2k2j s ASP 44 Ca 0.65 1.89 -0.31 0.00 -3.30 0.00 0.00 52.55 51.48 2k2j s ASP 44 Cb -0.07 -2.45 -0.11 0.00 -1.09 0.00 0.00 42.92 39.20 2k2j s ASP 44 CO 0.46 -3.33 1.63 -1.81 0.70 0.00 0.00 175.17 172.82 2k2j s ASP 45 N -2.75 6.41 0.00 2.11 1.01 -1.26 -4.36 116.67 117.83 2k2j s ASP 45 Ca 0.67 2.87 0.16 0.00 0.71 0.00 0.00 52.55 56.96 2k2j s ASP 45 Cb -0.23 -2.62 0.65 0.00 1.01 0.00 0.00 42.92 41.74 2k2j s ASP 45 CO 0.60 -0.92 1.46 2.30 0.21 0.00 0.00 175.17 178.82 2k2j n ILE 46 N 3.06 0.22 0.00 0.77 -5.35 -1.16 -4.23 119.36 112.67 2k2j n ILE 46 Ca 0.12 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2k2j n ILE 46 Cb 0.37 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.10 0.00 -0.57 6.28 0.28 -1.26 -4.93 120.64 120.54 2k2j n GLU 47 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.02 2k2j n GLU 47 Cb 0.25 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.19 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 -0.74 1.56 -0.15 3.44 1.13 -1.26 -4.49 117.38 116.87 2k2j n GLN 48 Ca 0.00 -1.30 -0.03 0.00 -1.94 0.00 0.00 57.00 53.73 2k2j n GLN 48 Cb 0.00 -1.51 0.06 0.00 0.11 0.00 0.00 30.24 28.90 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 0.51 0.75 -0.25 5.09 1.35 -1.92 -3.46 112.91 114.99 2k2j h THR 49 Ca 0.27 -0.08 -0.11 0.00 -0.55 0.00 0.00 66.41 65.94 2k2j h THR 49 Cb 1.67 0.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.53 2k2j h THR 49 CO 0.50 0.04 -0.10 0.23 -0.25 0.00 0.00 175.52 175.95 2k2j n MET 50 N -5.09 -1.79 -3.70 4.72 2.81 -1.26 -4.92 117.12 107.88 2k2j n MET 50 Ca 0.05 0.67 -0.22 0.00 -1.81 0.00 0.00 57.70 56.39 2k2j n MET 50 Cb 0.22 -5.09 -0.18 0.00 -0.71 0.00 0.00 33.22 27.46 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 -2.39 0.23 0.00 0.03 2.02 -1.26 -4.98 118.70 112.35 2k2j s GLU 51 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.18 2k2j s GLU 51 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2k2j s GLU 51 CO 0.00 -0.37 0.00 -1.91 0.02 0.00 0.00 175.26 173.00 2k2j n GLU 52 N 5.23 1.55 0.04 1.61 2.13 -1.26 -4.40 120.64 125.53 2k2j n GLU 52 Ca -0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.62 2k2j n GLU 52 Cb 0.50 -0.84 -0.14 0.00 0.27 0.00 0.00 31.44 31.23 2k2j n GLU 52 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2k2j h ASP 53 N 0.00 0.26 -1.83 4.31 5.19 -2.03 -3.40 116.42 118.92 2k2j h ASP 53 Ca 0.00 -0.41 -0.47 0.00 -0.62 0.00 0.00 57.03 55.53 2k2j h ASP 53 Cb 0.68 -0.09 -0.40 0.00 0.18 0.00 0.00 39.33 39.70 2k2j h ASP 53 CO 0.00 1.35 -1.17 -3.20 -3.12 0.00 0.00 179.24 173.10 2k2j n ASN 54 N -3.35 1.16 -4.70 6.45 5.15 -1.26 -5.10 115.26 113.61 2k2j n ASN 54 Ca -0.17 -3.00 -0.41 0.00 -0.60 0.00 0.00 54.58 50.41 2k2j n ASN 54 Cb 1.04 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.65 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k2j s PRO 55 N -2.62 4.41 0.06 1.20 0.05 -1.26 -4.96 135.00 131.89 2k2j s PRO 55 Ca 0.38 1.08 -0.33 0.00 0.05 0.00 0.00 61.00 62.18 2k2j s PRO 55 Cb 0.37 -3.50 -0.19 0.00 0.05 0.00 0.00 34.50 31.23 2k2j s PRO 55 CO -0.06 -0.12 1.53 1.25 0.05 0.00 0.00 177.00 179.65 2k2j h LEU 56 N 7.39 -0.85 0.00 -3.56 5.85 -1.98 -3.49 115.31 118.67 2k2j h LEU 56 Ca -0.36 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2k2j h LEU 56 Cb 1.18 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2k2j h LEU 56 CO 0.79 -0.57 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2k2j n GLY 57 N -1.37 0.99 1.34 3.75 0.00 -1.26 -5.09 105.19 103.54 2k2j n GLY 57 Ca -0.14 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.56 2k2j n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k2j n SER 58 N 0.59 -8.05 0.00 1.61 2.88 -1.26 -4.85 113.62 104.54 2k2j n SER 58 Ca 0.00 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2k2j n SER 58 Cb 0.00 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.15 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k2j n LEU 59 N -4.17 0.00 -4.55 2.46 0.00 -1.26 -4.57 117.00 104.91 2k2j n LEU 59 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.72 2k2j n LEU 59 Cb 0.62 -0.21 -0.05 0.00 0.00 0.00 0.00 43.42 43.79 2k2j n LEU 59 CO 0.03 -0.36 1.64 0.00 0.00 0.00 0.00 177.39 178.69 2k2j n ARG 61 N 8.93 0.11 0.00 0.00 5.12 -0.97 -4.98 116.66 124.87 2k2j n ARG 61 Ca 0.41 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 2k2j n ARG 61 Cb 0.49 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 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 1.44 1.78 3.00 -0.13 0.00 -1.21 -5.00 105.19 105.07 2k2j n GLY 62 Ca 0.05 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.53 -0.42 -0.61 1.01 -1.26 -2.04 121.20 116.41 2k2j s ILE 63 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 2k2j s ILE 63 Cb 0.00 -0.49 0.08 0.00 0.01 0.00 0.00 42.46 42.06 2k2j s ILE 63 CO 0.00 0.00 0.26 -0.22 0.00 0.00 0.00 174.94 174.99 2k2j s LEU 64 N -0.55 5.19 0.48 2.97 2.96 0.11 -4.91 118.68 124.92 2k2j s LEU 64 Ca -0.01 -1.55 0.27 0.00 -0.22 0.00 0.00 54.13 52.62 2k2j s LEU 64 Cb -0.04 -1.98 1.32 0.00 0.50 0.00 0.00 46.19 45.98 2k2j s LEU 64 CO 0.00 -0.55 1.83 0.44 -1.32 0.00 0.00 176.35 176.75 2k2j h ASP 65 N 8.40 0.20 -0.50 3.68 3.32 -1.88 -1.99 116.42 127.65 2k2j h ASP 65 Ca -0.22 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 2k2j h ASP 65 Cb 1.08 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 2k2j h ASP 65 CO 0.76 0.05 -0.13 0.18 -1.72 0.00 0.00 179.24 178.39 2k2j n LEU 66 N -4.39 -0.04 -0.00 1.55 4.77 -1.26 -4.42 117.00 113.20 2k2j n LEU 66 Ca 0.22 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.44 2k2j n LEU 66 Cb 0.96 -2.20 -0.09 0.00 -2.33 0.00 0.00 43.42 39.77 2k2j n LEU 66 CO 0.34 -0.82 -0.19 0.59 -1.33 0.00 0.00 177.39 175.98 2k2j n ASN 67 N -0.45 0.92 -3.19 -1.43 5.03 -1.26 -4.27 115.26 110.61 2k2j n ASN 67 Ca -0.07 -0.62 -0.22 0.00 0.87 0.00 0.00 54.58 54.54 2k2j n ASN 67 Cb 0.45 1.16 -0.06 0.00 -1.02 0.00 0.00 39.78 40.32 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 -1.49 -0.43 -3.96 3.41 -2.24 -1.26 -5.00 114.28 103.31 2k2j n THR 68 Ca 0.01 -4.22 -0.09 0.00 -2.27 0.00 0.00 64.05 57.48 2k2j n THR 68 Cb 0.25 -1.48 -0.04 0.00 -2.10 0.00 0.00 70.33 66.96 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 -1.59 0.27 -0.03 4.78 2.02 -1.26 -1.29 117.35 120.25 2k2j s TYR 69 Ca 0.37 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2k2j s TYR 69 Cb 0.22 0.33 0.03 0.00 -0.40 0.00 0.00 41.96 42.13 2k2j s TYR 69 CO -0.10 -1.09 -0.01 -0.80 -1.57 0.00 0.00 175.55 171.98 2k2j s ASN 70 N -3.01 0.59 -0.20 2.29 0.01 0.75 -4.74 114.94 110.62 2k2j s ASN 70 Ca 0.20 -0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 52.16 2k2j s ASN 70 Cb -0.02 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.32 2k2j s ASN 70 CO 0.09 -0.09 0.33 -0.69 -1.51 0.00 0.00 177.10 175.23 2k2j s VAL 71 N 1.04 5.25 -0.08 1.60 1.01 -1.26 -0.51 120.40 127.45 2k2j s VAL 71 Ca -0.10 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2k2j s VAL 71 Cb -0.14 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2k2j s VAL 71 CO -0.01 0.29 -0.05 0.68 0.00 0.00 0.00 175.10 176.00 2k2j s VAL 72 N 1.14 0.75 -0.52 2.92 -7.23 -0.52 -4.99 120.40 111.95 2k2j s VAL 72 Ca 0.16 -0.16 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 2k2j s VAL 72 Cb -0.14 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.00 2k2j s VAL 72 CO 0.07 0.30 1.63 -0.75 -0.31 0.00 0.00 175.10 176.04 2k2j s LYS 73 N 1.44 3.12 -0.23 4.82 2.20 -1.26 -1.20 119.74 128.63 2k2j s LYS 73 Ca -0.02 0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 56.09 2k2j s LYS 73 Cb -0.13 -4.22 -0.01 0.00 -1.51 0.00 0.00 37.83 31.96 2k2j s LYS 73 CO -0.04 -2.14 0.80 0.00 -0.36 0.00 0.00 175.35 173.62 2k2j s ALA 74 N 7.12 3.62 0.51 3.13 0.00 0.28 -4.99 121.76 131.43 2k2j s ALA 74 Ca 0.63 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 2k2j s ALA 74 Cb -0.14 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2k2j s ALA 74 CO 0.26 -0.84 0.98 -2.14 0.00 0.00 0.00 175.76 174.02 2k2j s PRO 75 N 2.63 3.97 -1.60 0.00 0.02 -1.26 -2.72 135.00 136.04 2k2j s PRO 75 Ca 0.35 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.33 2k2j s PRO 75 Cb -0.16 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.22 2k2j s PRO 75 CO 0.08 -0.25 0.00 0.94 -0.33 0.00 0.00 177.00 177.44 2k2j n GLN 76 N -1.51 -1.33 0.00 5.54 7.27 -0.83 -4.65 117.38 121.86 2k2j n GLN 76 Ca 0.07 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.03 2k2j n GLN 76 Cb 0.54 -5.17 0.00 0.00 2.41 0.00 0.00 30.24 28.02 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 -0.28 1.80 0.00 1.69 0.00 0.85 -4.27 105.19 104.98 2k2j n GLY 77 Ca -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 5.48 0.00 -3.60 1.61 4.81 -1.25 -4.86 118.16 120.34 2k2j n LYS 78 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2k2j n LYS 78 Cb 0.00 -0.13 -0.14 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.33 3.52 -1.49 3.14 0.01 -1.26 -4.83 114.94 112.69 2k2j s ASN 79 Ca 0.00 -1.94 0.00 0.00 -0.71 0.00 0.00 52.86 50.21 2k2j s ASN 79 Cb 0.00 -0.64 0.00 0.00 0.41 0.00 0.00 41.25 41.02 2k2j s ASN 79 CO 0.00 -0.36 0.00 0.00 -1.51 0.00 0.00 177.10 175.23 2k2j n GLN 80 N 4.41 -1.51 -4.58 -0.60 6.02 -1.26 -4.93 117.38 114.93 2k2j n GLN 80 Ca 0.04 0.92 -0.27 0.00 -0.01 0.00 0.00 57.00 57.67 2k2j n GLN 80 Cb 0.39 -5.21 -0.11 0.00 1.02 0.00 0.00 30.24 26.33 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 -3.13 1.89 0.00 -1.09 -0.14 -1.26 -5.06 119.74 110.95 2k2j s LYS 81 Ca 0.00 -2.04 0.00 0.00 -1.36 0.00 0.00 55.97 52.57 2k2j s LYS 81 Cb 0.00 -1.63 0.00 0.00 -1.68 0.00 0.00 37.83 34.52 2k2j s LYS 81 CO 0.00 0.02 0.00 -1.13 -0.76 0.00 0.00 175.35 173.48 2k2j n SER 82 N -0.89 3.70 -4.15 2.83 3.41 -1.26 -3.13 113.62 114.13 2k2j n SER 82 Ca -0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 2k2j n SER 82 Cb 0.66 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.90 3.52 0.04 7.33 0.08 -1.26 -0.11 117.98 125.68 2k2j s PHE 83 Ca 0.00 -2.25 0.05 0.00 0.12 0.00 0.00 56.93 54.85 2k2j s PHE 83 Cb 0.00 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 2k2j s PHE 83 CO 0.00 -0.97 -0.14 0.08 -0.10 0.00 0.00 175.22 174.09 2k2j s VAL 84 N 1.08 1.11 -0.10 -0.44 1.01 -1.10 -3.93 120.40 118.03 2k2j s VAL 84 Ca 0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2k2j s VAL 84 Cb -0.24 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2k2j s VAL 84 CO -0.03 0.02 -0.14 -0.36 0.00 0.00 0.00 175.10 174.59 2k2j s PHE 85 N -0.82 1.85 -0.11 5.22 0.40 -0.93 1.00 117.98 124.59 2k2j s PHE 85 Ca 0.02 -0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 55.42 2k2j s PHE 85 Cb -0.08 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2k2j s PHE 85 CO 0.01 -0.46 0.15 0.42 0.70 0.00 0.00 175.22 176.05 2k2j s ILE 86 N 1.03 5.49 -0.19 0.64 1.01 -0.34 -1.72 121.20 127.12 2k2j s ILE 86 Ca -0.06 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 2k2j s ILE 86 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2k2j s ILE 86 CO -0.02 0.61 0.06 -0.76 0.00 0.00 0.00 174.94 174.83 2k2j s LEU 87 N -1.05 3.72 -0.28 2.97 1.43 0.08 -1.44 118.68 124.12 2k2j s LEU 87 Ca 0.16 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2k2j s LEU 87 Cb -0.12 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.19 2k2j s LEU 87 CO 0.05 0.15 -0.02 -1.61 0.23 0.00 0.00 176.35 175.14 2k2j s GLU 88 N 0.52 2.64 0.18 1.70 2.02 0.34 -2.17 118.70 123.92 2k2j s GLU 88 Ca 0.03 -1.12 -0.32 0.00 0.02 0.00 0.00 54.97 53.57 2k2j s GLU 88 Cb -0.13 -3.11 -0.12 0.00 0.10 0.00 0.00 34.13 30.87 2k2j s GLU 88 CO 0.01 -0.52 1.73 -0.35 0.02 0.00 0.00 175.26 176.15 2k2j n PRO 89 N 4.66 2.70 -0.03 0.39 -0.04 -1.26 -0.18 135.00 141.24 2k2j n PRO 89 Ca -0.15 0.98 0.02 0.00 -0.04 0.00 0.00 63.50 64.31 2k2j n PRO 89 Cb 0.45 -2.82 0.08 0.00 -0.04 0.00 0.00 33.50 31.17 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 4.25 1.12 0.00 0.54 5.02 -0.41 -4.21 118.16 124.47 2k2j n LYS 90 Ca 0.17 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2k2j n LYS 90 Cb 0.34 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2k2j n LYS 90 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k2j n GLN 91 N -0.37 0.00 0.00 1.97 1.13 -1.26 -5.00 117.38 113.85 2k2j n GLN 91 Ca 0.03 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2k2j n GLN 91 Cb 0.05 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.26 2k2j n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k2j n GLN 92 N -1.38 0.00 -0.07 -1.09 10.64 -1.26 -4.98 117.38 119.24 2k2j n GLN 92 Ca 0.00 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.24 2k2j n GLN 92 Cb 0.00 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.48 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 -0.39 4.12 3.44 2.61 0.00 -1.26 -5.03 105.19 108.68 2k2j n GLY 93 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.13 -1.73 -4.78 1.61 9.92 -1.26 -4.95 116.55 114.22 2k2j n ASP 94 Ca 0.11 0.24 -0.36 0.00 -0.53 0.00 0.00 54.79 54.25 2k2j n ASP 94 Cb 0.55 -1.21 -0.03 0.00 -0.64 0.00 0.00 41.12 39.79 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 -3.81 3.93 0.63 -0.24 0.04 -1.26 -4.75 135.00 129.54 2k2j s PRO 95 Ca 0.59 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 2k2j s PRO 95 Cb -0.20 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.03 2k2j s PRO 95 CO 0.66 -0.35 0.92 -1.25 0.04 0.00 0.00 177.00 177.02 2k2j s PRO 96 N -2.80 2.50 -0.07 0.56 0.04 -1.26 -4.58 135.00 129.38 2k2j s PRO 96 Ca 0.63 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2k2j s PRO 96 Cb -0.22 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.08 2k2j s PRO 96 CO 0.26 -0.95 -0.04 0.08 0.04 0.00 0.00 177.00 176.39 2k2j s VAL 97 N -3.06 0.64 0.08 -0.36 1.01 -0.92 -4.97 120.40 112.82 2k2j s VAL 97 Ca 0.57 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 2k2j s VAL 97 Cb -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2k2j s VAL 97 CO 0.43 0.28 0.37 -1.61 0.00 0.00 0.00 175.10 174.58 2k2j s GLU 98 N 1.42 3.70 0.11 2.72 8.01 -1.26 -0.74 118.70 132.66 2k2j s GLU 98 Ca -0.03 0.09 0.04 0.00 0.01 0.00 0.00 54.97 55.08 2k2j s GLU 98 Cb -0.13 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.66 2k2j s GLU 98 CO -0.03 0.56 -0.10 -0.06 0.01 0.00 0.00 175.26 175.64 2k2j s PHE 99 N -1.42 1.09 0.23 1.61 0.40 -0.70 -2.30 117.98 116.88 2k2j s PHE 99 Ca 0.33 -0.70 -0.18 0.00 -0.60 0.00 0.00 56.93 55.78 2k2j s PHE 99 Cb -0.13 -0.59 0.02 0.00 0.51 0.00 0.00 43.02 42.83 2k2j s PHE 99 CO 0.19 0.00 0.57 0.00 0.70 0.00 0.00 175.22 176.69 2k2j s ALA 100 N -2.73 -0.93 0.15 5.36 0.00 -0.96 -2.20 121.76 120.45 2k2j s ALA 100 Ca 0.08 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2k2j s ALA 100 Cb -0.01 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2k2j s ALA 100 CO -0.00 -0.88 0.13 0.25 0.00 0.00 0.00 175.76 175.26 2k2j n THR 101 N -0.38 0.00 -0.27 0.00 -2.24 -1.25 -3.38 114.28 106.75 2k2j n THR 101 Ca -0.07 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 2k2j n THR 101 Cb 0.62 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.39 1.21 -3.91 3.42 8.00 -1.26 -4.90 116.55 116.71 2k2j n ASP 102 Ca 0.03 -1.48 -0.09 0.00 0.71 0.00 0.00 54.79 53.96 2k2j n ASP 102 Cb 0.27 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k2j s ARG 103 N -0.48 0.90 0.03 -1.24 0.52 -1.26 -5.07 118.95 112.35 2k2j s ARG 103 Ca 0.00 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 53.99 2k2j s ARG 103 Cb 0.00 0.34 -0.29 0.00 0.52 0.00 0.00 34.95 35.51 2k2j s ARG 103 CO 0.00 -0.29 1.06 0.28 0.02 0.00 0.00 175.30 176.38 2k2j h VAL 104 N 2.74 1.33 -0.32 3.52 2.07 -1.99 -2.88 116.25 120.72 2k2j h VAL 104 Ca -0.34 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 64.71 2k2j h VAL 104 Cb 1.20 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 2k2j h VAL 104 CO 0.55 0.73 0.02 1.05 0.02 0.00 0.00 177.57 179.94 2k2j h GLU 105 N 0.12 0.54 -0.13 1.57 4.11 -2.00 -2.59 114.58 116.20 2k2j h GLU 105 Ca -0.17 -0.16 -0.04 0.00 0.07 0.00 0.00 59.36 59.06 2k2j h GLU 105 Cb 1.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2k2j h GLU 105 CO 0.21 0.66 -0.10 0.93 0.07 0.00 0.00 179.01 180.78 2k2j h GLU 106 N 0.35 0.20 0.54 1.06 4.39 -1.99 -1.01 114.58 118.13 2k2j h GLU 106 Ca 0.09 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2k2j h GLU 106 Cb 0.40 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2k2j h GLU 106 CO 0.01 0.31 -0.26 1.25 -1.16 0.00 0.00 179.01 179.17 2k2j h LEU 107 N 0.20 -0.61 -0.69 1.33 5.85 -1.26 -2.15 115.31 117.98 2k2j h LEU 107 Ca 0.04 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2k2j h LEU 107 Cb 0.30 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2k2j h LEU 107 CO 0.02 -0.32 0.06 0.15 -0.34 0.00 0.00 178.44 178.01 2k2j h PHE 108 N -0.91 1.15 0.61 1.25 3.57 -1.37 -0.80 116.94 120.45 2k2j h PHE 108 Ca -0.07 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 2k2j h PHE 108 Cb 0.62 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2k2j h PHE 108 CO -0.01 0.99 -0.40 1.49 -2.23 0.00 0.00 178.31 178.15 2k2j h GLU 109 N 1.00 -0.93 -0.04 1.11 4.57 -1.19 0.20 114.58 119.29 2k2j h GLU 109 Ca 0.19 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 2k2j h GLU 109 Cb 0.49 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2k2j h GLU 109 CO 0.02 -0.62 -0.02 -1.49 -1.18 0.00 0.00 179.01 175.72 2k2j h TRP 110 N -0.97 0.10 -0.04 0.92 4.06 -1.41 -2.87 115.95 115.75 2k2j h TRP 110 Ca -0.07 -0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.77 2k2j h TRP 110 Cb 0.79 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.92 2k2j h TRP 110 CO -0.12 0.49 -0.36 0.74 -3.56 0.00 0.00 178.44 175.62 2k2j h PHE 111 N -0.31 0.09 -0.26 0.49 0.04 -1.19 -1.81 116.94 114.00 2k2j h PHE 111 Ca 0.01 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 2k2j h PHE 111 Cb 0.46 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 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 0.07 0.60 -0.36 1.51 -0.00 -0.62 -1.75 115.11 114.57 2k2j h GLN 112 Ca 0.01 -0.30 -0.10 0.00 -0.00 0.00 0.00 58.65 58.26 2k2j h GLN 112 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.15 2k2j h GLN 112 CO 0.05 0.90 -0.15 1.03 0.00 0.00 0.00 178.83 180.66 2k2j h SER 113 N 0.50 0.75 -0.42 -0.69 0.87 -1.23 0.22 113.55 113.55 2k2j h SER 113 Ca 0.04 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2k2j h SER 113 Cb 0.90 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2k2j h SER 113 CO 0.08 0.98 0.27 0.40 -0.53 0.00 0.00 176.83 178.03 2k2j h ILE 114 N 0.53 1.12 0.00 2.23 2.04 -1.20 -0.63 117.51 121.60 2k2j h ILE 114 Ca 0.08 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 2k2j h ILE 114 Cb 0.68 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2k2j h ILE 114 CO 0.05 0.11 -0.85 0.03 0.00 0.00 0.00 178.15 177.50 2k2j h ARG 115 N 0.58 0.07 0.00 2.37 3.08 -0.96 -2.71 114.38 116.80 2k2j h ARG 115 Ca 0.15 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k2j h ARG 115 Cb -0.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2k2j h ARG 115 CO -0.03 0.87 0.11 0.93 -1.07 0.00 0.00 179.97 180.78 2k2j h GLU 116 N 0.04 0.00 0.00 0.04 5.08 0.11 1.14 114.58 120.99 2k2j h GLU 116 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 2k2j h GLU 116 Cb 1.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 2k2j h GLU 116 CO 0.12 0.00 -1.76 -0.89 -1.00 0.00 0.00 179.01 175.48 2k2j n ILE 117 N -2.81 0.75 -1.04 3.13 5.41 -1.17 -4.20 119.36 119.43 2k2j n ILE 117 Ca -0.02 -0.47 0.09 0.00 1.00 0.00 0.00 62.75 63.35 2k2j n ILE 117 Cb 0.17 -0.69 0.20 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.40 2.11 -1.43 1.39 -2.24 -0.83 -4.55 114.28 106.32 2k2j n THR 118 Ca -0.18 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 2k2j n THR 118 Cb 0.85 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.99 4.78 -0.00 0.39 -4.63 117.44 118.02 2k2j n TRP 119 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 2k2j n TRP 119 Cb 0.78 0.03 0.00 0.00 -0.00 0.00 0.00 31.31 32.12 2k2j n TRP 119 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 2k2j n LYS 120 N 0.00 0.99 -2.30 5.87 2.85 -1.13 -4.73 118.16 119.70 2k2j n LYS 120 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2k2j n LYS 120 Cb 0.31 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.16 2k2j n LYS 120 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2k2j s ILE 121 N -0.99 3.72 -0.16 0.58 1.01 -1.26 -4.91 121.20 119.19 2k2j s ILE 121 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 2k2j s ILE 121 Cb 0.00 -4.61 0.04 0.00 0.01 0.00 0.00 42.46 37.89 2k2j s ILE 121 CO 0.00 -1.45 -0.07 -1.81 0.00 0.00 0.00 174.94 171.61 2k2j s ASP 122 N 6.24 2.79 -0.24 3.58 1.01 -1.26 -5.10 116.67 123.70 2k2j s ASP 122 Ca 0.59 -0.62 -0.29 0.00 0.71 0.00 0.00 52.55 52.94 2k2j s ASP 122 Cb -0.02 -0.97 -0.01 0.00 1.01 0.00 0.00 42.92 42.93 2k2j s ASP 122 CO -0.01 -0.16 1.35 -0.89 0.21 0.00 0.00 175.17 175.67 2k2j s THR 123 N 1.60 4.09 -2.81 -1.27 2.01 -1.26 -5.29 115.64 112.71 2k2j s THR 123 Ca 0.01 1.26 0.26 0.00 0.31 0.00 0.00 61.69 63.53 2k2j s THR 123 Cb -0.15 -4.01 0.33 0.00 0.01 0.00 0.00 72.50 68.68 2k2j s THR 123 CO -0.08 -0.33 1.45 1.17 -0.69 0.00 0.00 174.62 176.13