#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken n GLU 2 N 0.00 -1.87 -1.61 0.03 0.00 -1.26 -5.00 120.64 110.93 2ken n GLU 2 Ca 0.00 0.62 -0.32 0.00 0.00 0.00 0.00 57.16 57.47 2ken n GLU 2 Cb 0.00 -4.65 0.05 0.00 0.00 0.00 0.00 31.44 26.85 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2ken s PRO 3 N -4.08 2.81 -0.42 5.31 0.04 -1.26 -4.97 135.00 132.43 2ken s PRO 3 Ca 0.30 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 2ken s PRO 3 Cb -0.04 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2ken s PRO 3 CO 0.53 -1.21 1.14 -1.14 0.04 0.00 0.00 177.00 176.36 2ken s GLN 4 N -4.66 3.83 -0.11 4.56 2.00 -1.26 -5.00 119.66 119.03 2ken s GLN 4 Ca 0.61 0.77 -0.20 0.00 -2.00 0.00 0.00 55.36 54.54 2ken s GLN 4 Cb -0.16 -3.86 -0.04 0.00 0.80 0.00 0.00 33.01 29.75 2ken s GLN 4 CO 0.49 -1.23 0.56 -0.51 -0.50 0.00 0.00 175.29 174.11 2ken s LEU 5 N 4.25 4.28 -0.02 3.68 1.43 -1.26 -2.12 118.68 128.92 2ken s LEU 5 Ca 0.48 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2ken s LEU 5 Cb -0.09 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 2ken s LEU 5 CO 0.26 -0.05 -0.21 -0.89 0.23 0.00 0.00 176.35 175.69 2ken s THR 6 N 0.76 1.65 0.14 5.49 2.01 -0.77 -4.92 115.64 120.01 2ken s THR 6 Ca 0.30 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 2ken s THR 6 Cb -0.16 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 2ken s THR 6 CO 0.13 0.47 0.55 -0.54 -0.69 0.00 0.00 174.62 174.54 2ken s LYS 7 N -0.48 4.00 0.27 4.92 -0.14 -1.26 -4.65 119.74 122.40 2ken s LYS 7 Ca 0.08 0.51 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 2ken s LYS 7 Cb -0.08 -2.97 0.56 0.00 -1.68 0.00 0.00 37.83 33.66 2ken s LYS 7 CO -0.01 0.50 1.78 -0.84 -0.76 0.00 0.00 175.35 176.02 2ken h ILE 8 N 2.89 0.77 0.00 2.17 3.07 -1.96 0.74 117.51 125.19 2ken h ILE 8 Ca -0.49 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2ken h ILE 8 Cb 1.20 -0.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 2ken h ILE 8 CO 0.65 0.13 0.00 0.55 -1.05 0.00 0.00 178.15 178.44 2ken n VAL 9 N -4.80 0.96 0.43 0.16 3.14 -1.26 -1.68 118.33 115.28 2ken n VAL 9 Ca 0.18 0.24 0.11 0.00 -2.96 0.00 0.00 64.34 61.91 2ken n VAL 9 Cb 0.43 -1.04 0.26 0.00 -1.06 0.00 0.00 33.84 32.44 2ken n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2ken n ASP 10 N -1.67 3.02 -4.63 6.55 2.03 0.26 -4.87 116.55 117.23 2ken n ASP 10 Ca 0.03 -1.94 -0.41 0.00 0.52 0.00 0.00 54.79 52.99 2ken n ASP 10 Cb 0.18 -0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 2ken n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ken s ILE 11 N -1.47 4.91 0.00 5.18 1.01 -0.68 -4.82 121.20 125.34 2ken s ILE 11 Ca 0.38 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2ken s ILE 11 Cb 0.21 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2ken s ILE 11 CO 0.29 -0.04 0.20 1.33 0.00 0.00 0.00 174.94 176.72 2ken n VAL 12 N 5.26 0.00 -4.27 2.92 0.24 -1.26 -5.07 118.33 116.14 2ken n VAL 12 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.09 2ken n VAL 12 Cb 0.48 0.90 -0.17 0.00 -1.47 0.00 0.00 33.84 33.59 2ken n VAL 12 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ken s GLU 13 N 0.00 1.23 0.26 7.34 2.02 -1.26 -5.14 118.70 123.16 2ken s GLU 13 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 54.65 2ken s GLU 13 Cb 0.00 -1.15 -0.08 0.00 0.10 0.00 0.00 34.13 33.00 2ken s GLU 13 CO 0.00 -0.08 0.62 1.21 0.02 0.00 0.00 175.26 177.03 2ken s ASN 14 N 0.98 6.68 0.00 -0.19 3.04 -1.26 -4.04 114.94 120.14 2ken s ASN 14 Ca -0.10 1.05 0.00 0.00 0.04 0.00 0.00 52.86 53.86 2ken s ASN 14 Cb -0.15 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 2ken s ASN 14 CO 0.00 -0.12 0.00 0.61 -3.04 0.00 0.00 177.10 174.55 2ken n GLY 15 N -0.23 0.39 3.85 1.21 0.00 -0.81 -5.03 105.19 104.57 2ken n GLY 15 Ca 0.02 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2ken n GLY 15 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ken s GLN 16 N -2.33 3.11 -0.16 1.61 -2.07 -1.26 -4.91 119.66 113.65 2ken s GLN 16 Ca 0.00 -0.70 -0.07 0.00 -1.82 0.00 0.00 55.36 52.77 2ken s GLN 16 Cb 0.00 -2.80 -0.04 0.00 -1.09 0.00 0.00 33.01 29.08 2ken s GLN 16 CO 0.00 0.53 0.06 -1.58 -1.32 0.00 0.00 175.29 172.98 2ken s TRP 17 N -1.64 3.27 0.38 9.60 0.52 -1.26 -2.71 118.94 127.10 2ken s TRP 17 Ca 0.32 0.12 -0.16 0.00 0.02 0.00 0.00 56.10 56.41 2ken s TRP 17 Cb -0.11 -2.02 0.06 0.00 -1.15 0.00 0.00 33.47 30.24 2ken s TRP 17 CO 0.25 0.25 0.80 0.00 0.02 0.00 0.00 176.95 178.27 2ken s ALA 18 N 0.06 -0.77 0.05 0.98 0.00 -1.05 -5.01 121.76 116.02 2ken s ALA 18 Ca 0.05 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.37 2ken s ALA 18 Cb -0.12 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2ken s ALA 18 CO 0.01 -0.99 -0.26 -0.80 0.00 0.00 0.00 175.76 173.72 2ken s ASN 19 N -3.08 3.08 -0.02 0.00 0.01 -0.90 -2.46 114.94 111.56 2ken s ASN 19 Ca 0.16 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 2ken s ASN 19 Cb -0.05 -0.27 0.01 0.00 0.41 0.00 0.00 41.25 41.35 2ken s ASN 19 CO 0.11 0.24 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.69 2ken s LEU 20 N -1.31 1.53 -0.09 0.60 2.96 -0.98 -1.84 118.68 119.54 2ken s LEU 20 Ca 0.11 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2ken s LEU 20 Cb -0.10 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 2ken s LEU 20 CO 0.02 -0.03 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.06 2ken s LYS 21 N 0.56 2.96 0.02 1.98 2.20 -1.26 -2.13 119.74 124.07 2ken s LYS 21 Ca -0.06 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.63 2ken s LYS 21 Cb -0.09 -2.34 0.03 0.00 -1.51 0.00 0.00 37.83 33.91 2ken s LYS 21 CO -0.01 0.27 0.38 0.00 -0.36 0.00 0.00 175.35 175.63 2ken n ALA 22 N 3.29 -1.05 -2.48 3.13 0.00 -1.07 -4.90 120.51 117.43 2ken n ALA 22 Ca -0.18 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.71 2ken n ALA 22 Cb 0.53 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 2ken n ALA 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ken s LYS 23 N -2.01 1.73 -0.53 0.00 -2.85 -0.90 -0.97 119.74 114.22 2ken s LYS 23 Ca 0.09 -1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 53.33 2ken s LYS 23 Cb -0.01 -1.93 0.05 0.00 -2.06 0.00 0.00 37.83 33.89 2ken s LYS 23 CO 0.01 0.39 0.79 0.08 0.10 0.00 0.00 175.35 176.72 2ken s VAL 24 N -1.89 4.62 0.13 1.79 1.01 -1.12 0.21 120.40 125.15 2ken s VAL 24 Ca 0.24 -0.08 0.18 0.00 0.00 0.00 0.00 61.98 62.33 2ken s VAL 24 Cb -0.07 -4.42 0.13 0.00 0.00 0.00 0.00 36.38 32.01 2ken s VAL 24 CO 0.13 -0.96 1.70 0.16 0.00 0.00 0.00 175.10 176.12 2ken h ILE 25 N 5.94 0.88 -2.04 2.22 3.07 -1.88 -1.02 117.51 124.68 2ken h ILE 25 Ca -0.27 -1.61 -0.06 0.00 1.55 0.00 0.00 64.86 64.47 2ken h ILE 25 Cb 1.08 1.99 -0.19 0.00 -0.27 0.00 0.00 36.82 39.43 2ken h ILE 25 CO 1.03 0.38 0.16 -1.58 -1.05 0.00 0.00 178.15 177.09 2ken s GLN 26 N -3.52 1.01 0.12 0.16 2.00 -1.26 -4.79 119.66 113.39 2ken s GLN 26 Ca 0.01 0.35 0.08 0.00 -2.00 0.00 0.00 55.36 53.79 2ken s GLN 26 Cb 0.10 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 34.36 2ken s GLN 26 CO 0.69 -0.29 -0.20 -0.48 -0.50 0.00 0.00 175.29 174.51 2ken s LEU 27 N -0.97 2.35 -0.11 3.68 2.34 -1.26 -2.40 118.68 122.31 2ken s LEU 27 Ca -0.10 -0.75 -0.04 0.00 0.06 0.00 0.00 54.13 53.31 2ken s LEU 27 Cb -0.01 -0.84 0.05 0.00 -0.56 0.00 0.00 46.19 44.83 2ken s LEU 27 CO 0.09 0.02 0.16 0.86 -1.06 0.00 0.00 176.35 176.41 2ken s TRP 28 N -1.51 -0.14 -0.20 3.48 -0.00 0.20 -4.93 118.94 115.83 2ken s TRP 28 Ca 0.10 0.45 -0.15 0.00 -0.00 0.00 0.00 56.10 56.49 2ken s TRP 28 Cb -0.08 -0.33 -0.04 0.00 -0.00 0.00 0.00 33.47 33.02 2ken s TRP 28 CO 0.05 -0.33 0.38 -1.21 -0.00 0.00 0.00 176.95 175.84 2ken s GLU 29 N 2.28 4.17 0.24 5.86 8.01 -1.26 0.48 118.70 138.48 2ken s GLU 29 Ca 0.04 0.17 -0.10 0.00 0.01 0.00 0.00 54.97 55.09 2ken s GLU 29 Cb -0.13 -3.53 -0.01 0.00 -4.31 0.00 0.00 34.13 26.15 2ken s GLU 29 CO -0.07 -0.02 0.41 0.54 0.01 0.00 0.00 175.26 176.13 2ken s ASN 30 N 1.02 0.01 -0.34 -0.19 4.22 -1.12 -4.96 114.94 113.58 2ken s ASN 30 Ca 0.18 -1.06 0.15 0.00 -2.14 0.00 0.00 52.86 49.99 2ken s ASN 30 Cb -0.15 0.55 0.43 0.00 1.28 0.00 0.00 41.25 43.37 2ken s ASN 30 CO 0.08 -1.09 1.23 1.07 -2.04 0.00 0.00 177.10 176.34 2ken n THR 31 N -0.37 0.50 -0.27 0.54 5.66 -1.26 -4.19 114.28 114.89 2ken n THR 31 Ca -0.01 -2.12 0.11 0.00 -3.05 0.00 0.00 64.05 58.99 2ken n THR 31 Cb 0.63 0.94 0.37 0.00 -1.55 0.00 0.00 70.33 70.71 2ken n THR 31 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 2ken h HIS 32 N 2.24 0.84 0.00 1.09 6.17 -1.96 -3.46 115.15 120.07 2ken h HIS 32 Ca -0.23 0.02 0.00 0.00 0.71 0.00 0.00 60.37 60.87 2ken h HIS 32 Cb 1.26 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.92 2ken h HIS 32 CO 0.27 0.32 0.00 -1.91 0.71 0.00 0.00 177.93 177.32 2ken n GLU 33 N -4.56 0.00 0.00 5.26 2.13 -1.26 -4.94 120.64 117.26 2ken n GLU 33 Ca 0.17 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.12 2ken n GLU 33 Cb 0.45 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.61 2ken n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2ken n SER 34 N 0.00 0.64 -4.72 4.31 3.41 -1.26 -4.83 113.62 111.16 2ken n SER 34 Ca 0.00 -0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 57.66 2ken n SER 34 Cb 0.00 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ken s ILE 35 N -2.64 4.75 -0.24 -1.33 1.01 -1.26 -3.14 121.20 118.35 2ken s ILE 35 Ca 0.22 2.01 -0.07 0.00 0.00 0.00 0.00 60.65 62.81 2ken s ILE 35 Cb 0.19 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 2ken s ILE 35 CO 0.54 0.23 -0.28 -1.20 0.00 0.00 0.00 174.94 174.23 2ken n SER 36 N 3.48 1.92 -3.77 3.58 7.64 -1.06 -4.04 113.62 121.37 2ken n SER 36 Ca 0.04 0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.94 2ken n SER 36 Cb 0.50 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 2ken n SER 36 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ken s GLN 37 N -2.46 0.59 -0.06 1.43 0.74 -1.22 -2.81 119.66 115.88 2ken s GLN 37 Ca -0.34 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 54.99 2ken s GLN 37 Cb 0.11 0.26 0.01 0.00 1.10 0.00 0.00 33.01 34.50 2ken s GLN 37 CO 0.48 -0.15 -0.11 0.08 -0.55 0.00 0.00 175.29 175.04 2ken s VAL 38 N -1.07 1.02 0.00 1.34 1.01 0.18 -2.41 120.40 120.47 2ken s VAL 38 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2ken s VAL 38 Cb -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2ken s VAL 38 CO 0.03 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2ken n GLY 39 N 3.77 2.99 3.08 4.51 0.00 -1.10 0.62 105.19 119.07 2ken n GLY 39 Ca -0.23 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 2ken n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ken s LEU 40 N 0.00 2.27 -0.18 0.99 1.02 -1.01 -2.42 118.68 119.35 2ken s LEU 40 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.13 53.54 2ken s LEU 40 Cb 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 46.19 45.99 2ken s LEU 40 CO 0.00 -0.20 -0.05 -0.76 0.02 0.00 0.00 176.35 175.36 2ken s LEU 41 N -1.67 2.99 -0.22 1.79 1.43 -0.19 -2.97 118.68 119.84 2ken s LEU 41 Ca -0.08 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2ken s LEU 41 Cb -0.09 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2ken s LEU 41 CO 0.00 0.08 0.09 -0.83 0.23 0.00 0.00 176.35 175.92 2ken s GLY 42 N 0.90 1.86 0.00 -3.19 0.00 0.13 -2.55 107.32 104.47 2ken s GLY 42 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2ken s GLY 42 CO 0.01 0.33 0.00 2.09 0.00 0.00 0.00 173.10 175.53 2ken n ASP 43 N 4.30 0.00 -0.00 1.64 5.75 -1.07 -2.11 116.55 125.05 2ken n ASP 43 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2ken n ASP 43 Cb 0.52 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2ken n ASP 43 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2ken n GLU 44 N 0.00 0.99 0.01 0.11 2.13 -1.26 -4.61 120.64 118.01 2ken n GLU 44 Ca 0.00 -0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 2ken n GLU 44 Cb 0.00 -0.93 0.12 0.00 0.27 0.00 0.00 31.44 30.89 2ken n GLU 44 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2ken n THR 45 N -1.44 0.05 0.00 6.31 -2.24 -1.26 -5.05 114.28 110.65 2ken n THR 45 Ca -0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2ken n THR 45 Cb 0.01 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2ken n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ken n GLY 46 N 1.47 -0.04 3.10 3.38 0.00 -1.26 -4.77 105.19 107.06 2ken n GLY 46 Ca 0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 2ken n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ken s ILE 47 N -4.00 0.18 -0.06 -0.61 1.01 -1.26 -2.61 121.20 113.85 2ken s ILE 47 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.01 2ken s ILE 47 Cb 0.00 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.24 2ken s ILE 47 CO 0.00 -0.84 0.30 -0.51 0.00 0.00 0.00 174.94 173.89 2ken s ILE 48 N -3.44 0.03 -0.16 2.92 2.07 -1.06 -4.98 121.20 116.59 2ken s ILE 48 Ca 0.02 -0.28 -0.18 0.00 -1.41 0.00 0.00 60.65 58.80 2ken s ILE 48 Cb 0.04 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2ken s ILE 48 CO -0.08 -0.15 0.49 -0.54 -1.91 0.00 0.00 174.94 172.74 2ken s LYS 49 N -0.66 4.27 0.15 3.50 1.02 -1.26 -1.02 119.74 125.73 2ken s LYS 49 Ca -0.08 0.41 0.10 0.00 0.02 0.00 0.00 55.97 56.42 2ken s LYS 49 Cb -0.04 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2ken s LYS 49 CO 0.02 0.02 -0.22 -0.59 -0.92 0.00 0.00 175.35 173.67 2ken s PHE 50 N 1.07 2.02 -0.04 3.18 -0.71 -1.02 -2.74 117.98 119.75 2ken s PHE 50 Ca 0.25 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 2ken s PHE 50 Cb -0.15 -1.04 0.01 0.00 -1.21 0.00 0.00 43.02 40.62 2ken s PHE 50 CO 0.10 0.35 -0.10 0.99 -1.34 0.00 0.00 175.22 175.22 2ken s THR 51 N -1.56 0.88 -0.22 -4.49 2.01 -0.93 -2.70 115.64 108.63 2ken s THR 51 Ca 0.14 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 2ken s THR 51 Cb -0.08 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2ken s THR 51 CO 0.07 0.28 0.14 -0.63 -0.69 0.00 0.00 174.62 173.78 2ken s ILE 52 N 0.40 5.28 0.24 1.82 1.01 -1.01 -2.36 121.20 126.58 2ken s ILE 52 Ca -0.07 0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.47 2ken s ILE 52 Cb -0.11 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2ken s ILE 52 CO 0.01 0.39 0.84 0.26 0.00 0.00 0.00 174.94 176.45 2ken s TRP 53 N 0.76 3.79 0.33 3.97 0.52 -1.11 -2.56 118.94 124.64 2ken s TRP 53 Ca 0.07 1.67 0.03 0.00 0.02 0.00 0.00 56.10 57.89 2ken s TRP 53 Cb -0.13 -2.82 0.62 0.00 -1.15 0.00 0.00 33.47 30.00 2ken s TRP 53 CO 0.02 0.36 1.95 -0.22 0.02 0.00 0.00 176.95 179.08 2ken h LYS 54 N 3.69 0.88 0.00 4.98 3.64 -1.87 0.90 116.57 128.79 2ken h LYS 54 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2ken h LYS 54 Cb 1.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2ken h LYS 54 CO 0.66 0.58 0.00 0.27 -2.27 0.00 0.00 179.45 178.69 2ken n ASN 55 N -4.47 0.00 -0.01 4.20 6.94 -1.26 -0.71 115.26 119.96 2ken n ASN 55 Ca 0.11 0.31 -0.09 0.00 -0.02 0.00 0.00 54.58 54.88 2ken n ASN 55 Cb 0.17 -0.31 -0.14 0.00 -2.36 0.00 0.00 39.78 37.15 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ken h ALA 56 N 2.00 0.69 -6.61 -2.53 0.00 -1.12 -3.39 119.26 108.31 2ken h ALA 56 Ca 0.00 -1.38 -0.52 0.00 0.00 0.00 0.00 54.91 53.00 2ken h ALA 56 Cb 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2ken h ALA 56 CO 0.00 1.52 -0.92 0.39 0.00 0.00 0.00 179.25 180.24 2ken n GLU 57 N -3.12 -2.37 -3.95 0.00 -0.58 0.12 -4.61 120.64 106.13 2ken n GLU 57 Ca -0.15 0.33 -0.28 0.00 -0.42 0.00 0.00 57.16 56.63 2ken n GLU 57 Cb 1.04 -4.15 -0.04 0.00 -0.57 0.00 0.00 31.44 27.72 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ken s LEU 58 N -7.02 4.28 0.59 -4.62 1.43 -1.26 -5.08 118.68 107.01 2ken s LEU 58 Ca 0.09 0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 2ken s LEU 58 Cb -0.04 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2ken s LEU 58 CO 0.91 0.10 1.08 -2.65 0.23 0.00 0.00 176.35 176.02 2ken n PRO 59 N -0.20 1.07 -2.29 1.29 -0.02 -1.26 -4.94 135.00 128.64 2ken n PRO 59 Ca -0.06 0.41 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 2ken n PRO 59 Cb 0.53 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2ken n PRO 59 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ken s LEU 60 N -2.55 4.48 0.37 2.45 1.43 -1.26 -5.01 118.68 118.59 2ken s LEU 60 Ca 0.76 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 56.16 2ken s LEU 60 Cb -0.42 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 2ken s LEU 60 CO 0.47 -0.35 0.83 -0.76 0.23 0.00 0.00 176.35 176.77 2ken s LEU 61 N -1.65 3.99 -0.21 1.79 1.02 -1.26 -5.05 118.68 117.31 2ken s LEU 61 Ca 0.47 1.44 -0.11 0.00 0.02 0.00 0.00 54.13 55.95 2ken s LEU 61 Cb -0.36 -4.27 -0.05 0.00 0.02 0.00 0.00 46.19 41.53 2ken s LEU 61 CO 0.47 -0.29 0.17 -1.61 0.02 0.00 0.00 176.35 175.12 2ken s GLU 62 N -3.13 4.16 0.29 1.70 2.02 -1.26 -5.06 118.70 117.43 2ken s GLU 62 Ca 0.57 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.10 2ken s GLU 62 Cb -0.10 -3.46 -0.10 0.00 0.10 0.00 0.00 34.13 30.57 2ken s GLU 62 CO 0.17 0.20 1.35 -1.14 0.02 0.00 0.00 175.26 175.85 2ken s GLN 63 N 0.64 4.33 0.00 1.61 -0.44 -1.26 -2.20 119.66 122.35 2ken s GLN 63 Ca 0.10 2.23 0.00 0.00 -2.50 0.00 0.00 55.36 55.18 2ken s GLN 63 Cb -0.12 -3.09 0.00 0.00 -1.64 0.00 0.00 33.01 28.15 2ken s GLN 63 CO 0.01 -0.26 0.00 0.41 0.50 0.00 0.00 175.29 175.95 2ken n GLY 64 N 1.36 2.08 3.95 2.59 0.00 -0.39 -4.99 105.19 109.79 2ken n GLY 64 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2ken n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ken s GLU 65 N -0.34 3.46 0.14 1.61 0.41 -0.93 -4.89 118.70 118.16 2ken s GLU 65 Ca 0.00 -0.56 -0.12 0.00 -0.41 0.00 0.00 54.97 53.87 2ken s GLU 65 Cb 0.00 -2.84 -0.07 0.00 -1.78 0.00 0.00 34.13 29.44 2ken s GLU 65 CO 0.00 0.38 0.50 -1.12 -0.49 0.00 0.00 175.26 174.53 2ken s SER 66 N -3.72 6.74 0.01 -0.19 0.01 -1.26 -2.79 113.70 112.50 2ken s SER 66 Ca 0.36 0.97 -0.03 0.00 1.31 0.00 0.00 55.95 58.56 2ken s SER 66 Cb -0.10 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2ken s SER 66 CO 0.30 0.10 0.03 -0.31 0.41 0.00 0.00 173.24 173.78 2ken s TYR 67 N -1.49 0.15 -0.16 2.43 2.02 -0.14 -2.73 117.35 117.43 2ken s TYR 67 Ca 0.38 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2ken s TYR 67 Cb -0.14 -0.12 -0.02 0.00 -0.40 0.00 0.00 41.96 41.28 2ken s TYR 67 CO 0.19 -0.20 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.74 2ken s LEU 68 N -1.26 3.11 -0.21 -1.29 2.96 -0.51 -2.61 118.68 118.87 2ken s LEU 68 Ca -0.14 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2ken s LEU 68 Cb -0.08 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2ken s LEU 68 CO -0.00 0.15 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.30 2ken s LEU 69 N 0.49 2.68 0.03 -0.68 1.02 -0.91 -1.76 118.68 119.56 2ken s LEU 69 Ca -0.04 -0.70 0.06 0.00 0.02 0.00 0.00 54.13 53.47 2ken s LEU 69 Cb -0.15 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 2ken s LEU 69 CO 0.03 -0.05 -0.15 -0.13 0.02 0.00 0.00 176.35 176.07 2ken s ARG 70 N 1.33 2.19 -0.92 1.70 0.52 -1.08 -2.33 118.95 120.36 2ken s ARG 70 Ca 0.03 -0.92 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 2ken s ARG 70 Cb -0.15 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2ken s ARG 70 CO -0.08 0.55 0.79 0.43 0.02 0.00 0.00 175.30 177.02 2ken n SER 71 N 1.53 -4.58 -4.72 0.23 7.64 -1.26 -2.33 113.62 110.14 2ken n SER 71 Ca -0.16 -0.57 -0.23 0.00 1.01 0.00 0.00 58.87 58.93 2ken n SER 71 Cb 0.52 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.23 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ken s VAL 72 N -3.32 3.51 0.09 0.44 -7.23 -1.03 -4.04 120.40 108.82 2ken s VAL 72 Ca 0.25 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2ken s VAL 72 Cb -0.03 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2ken s VAL 72 CO 0.62 -0.30 -0.22 0.54 -0.31 0.00 0.00 175.10 175.43 2ken s VAL 73 N -2.32 1.80 -0.13 1.32 0.11 -1.23 -2.52 120.40 117.43 2ken s VAL 73 Ca 0.34 -1.48 -0.14 0.00 -2.93 0.00 0.00 61.98 57.78 2ken s VAL 73 Cb -0.05 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.14 2ken s VAL 73 CO 0.22 0.05 0.31 -0.69 -3.33 0.00 0.00 175.10 171.66 2ken s VAL 74 N -1.04 5.27 0.12 2.04 1.01 -1.10 -1.63 120.40 125.08 2ken s VAL 74 Ca 0.08 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2ken s VAL 74 Cb -0.10 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ken s VAL 74 CO 0.04 0.43 0.04 -0.83 0.00 0.00 0.00 175.10 174.78 2ken s GLY 75 N 0.11 1.85 -0.44 4.51 0.00 -0.03 -1.93 107.32 111.40 2ken s GLY 75 Ca 0.18 -1.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.55 2ken s GLY 75 CO 0.06 -1.16 0.53 1.85 0.00 0.00 0.00 173.10 174.37 2ken s GLU 76 N -2.62 3.16 -0.40 2.90 2.12 -1.26 -2.55 118.70 120.04 2ken s GLU 76 Ca 0.28 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 2ken s GLU 76 Cb -0.11 -3.98 0.06 0.00 0.26 0.00 0.00 34.13 30.36 2ken s GLU 76 CO 0.20 -0.95 0.23 -0.47 -0.54 0.00 0.00 175.26 173.73 2ken s TYR 77 N 2.41 3.31 0.00 5.30 5.04 -0.74 -4.99 117.35 127.68 2ken s TYR 77 Ca 0.16 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 2ken s TYR 77 Cb -0.16 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.38 2ken s TYR 77 CO 0.15 -0.80 0.00 0.09 -1.34 0.00 0.00 175.55 173.65 2ken n ASN 78 N 4.91 0.00 0.05 4.32 5.03 -1.26 -0.18 115.26 128.13 2ken n ASN 78 Ca -0.11 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.46 2ken n ASN 78 Cb 0.44 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.20 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ken n ASP 79 N 3.20 0.61 -4.95 6.41 8.00 -1.26 -4.92 116.55 123.64 2ken n ASP 79 Ca 0.00 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.32 2ken n ASP 79 Cb 0.00 0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ken s ARG 80 N -3.30 3.37 0.13 -1.24 0.52 0.75 -5.11 118.95 114.07 2ken s ARG 80 Ca 0.01 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 2ken s ARG 80 Cb 0.13 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2ken s ARG 80 CO 0.81 0.43 0.14 -0.06 0.02 0.00 0.00 175.30 176.64 2ken s PHE 81 N -1.99 3.21 0.09 -0.53 0.08 -1.26 -1.80 117.98 115.79 2ken s PHE 81 Ca 0.34 0.04 -0.10 0.00 0.12 0.00 0.00 56.93 57.33 2ken s PHE 81 Cb -0.09 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2ken s PHE 81 CO 0.28 0.52 0.22 -0.65 -0.10 0.00 0.00 175.22 175.49 2ken s GLN 82 N -2.89 0.87 -0.24 0.44 -0.21 -1.06 -4.54 119.66 112.03 2ken s GLN 82 Ca 0.31 -0.92 -0.09 0.00 0.02 0.00 0.00 55.36 54.68 2ken s GLN 82 Cb -0.11 0.36 -0.04 0.00 1.00 0.00 0.00 33.01 34.22 2ken s GLN 82 CO 0.24 -0.28 0.12 0.08 -2.12 0.00 0.00 175.29 173.33 2ken s VAL 83 N -3.84 4.95 -0.20 1.09 1.01 -1.11 -0.85 120.40 121.46 2ken s VAL 83 Ca 0.05 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2ken s VAL 83 Cb 0.04 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2ken s VAL 83 CO -0.11 0.34 0.15 -1.10 0.00 0.00 0.00 175.10 174.38 2ken s GLN 84 N 1.23 4.18 -0.16 2.72 -0.21 -0.65 -2.20 119.66 124.57 2ken s GLN 84 Ca 0.06 -0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.17 2ken s GLN 84 Cb -0.14 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 2ken s GLN 84 CO 0.05 0.26 0.05 0.08 -2.12 0.00 0.00 175.29 173.61 2ken s VAL 85 N 0.46 4.68 0.02 1.09 1.01 -0.99 -3.53 120.40 123.14 2ken s VAL 85 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2ken s VAL 85 Cb -0.11 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2ken s VAL 85 CO -0.01 0.49 0.00 -0.46 0.00 0.00 0.00 175.10 175.13 2ken n ASN 86 N 3.28 1.32 -0.13 3.32 0.23 -1.26 -2.75 115.26 119.28 2ken n ASN 86 Ca -0.17 -1.11 -0.09 0.00 -0.53 0.00 0.00 54.58 52.68 2ken n ASN 86 Cb 0.53 0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 38.25 2ken n ASN 86 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2ken h LYS 87 N 0.00 0.58 0.00 -3.83 3.64 -1.81 -1.72 116.57 113.43 2ken h LYS 87 Ca -0.02 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ken h LYS 87 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2ken h LYS 87 CO 0.03 0.57 0.00 -1.71 -2.27 0.00 0.00 179.45 176.06 2ken n ASN 88 N -4.64 0.13 -4.90 4.20 5.15 -1.26 -4.65 115.26 109.29 2ken n ASN 88 Ca -0.01 0.56 -0.28 0.00 -0.60 0.00 0.00 54.58 54.25 2ken n ASN 88 Cb 0.16 -0.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.86 2ken n ASN 88 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2ken s SER 89 N -3.24 5.64 0.05 1.20 1.04 -0.65 -4.87 113.70 112.88 2ken s SER 89 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2ken s SER 89 Cb 0.02 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 2ken s SER 89 CO 0.07 -1.13 -0.05 -0.94 0.98 0.00 0.00 173.24 172.18 2ken s SER 90 N -4.30 0.62 -0.02 7.02 1.04 -0.98 -4.91 113.70 112.17 2ken s SER 90 Ca 0.55 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2ken s SER 90 Cb -0.11 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2ken s SER 90 CO 0.49 -0.43 0.02 -0.63 0.98 0.00 0.00 173.24 173.67 2ken s ILE 91 N -2.78 -0.01 -0.07 -1.02 1.01 -1.26 -2.63 121.20 114.44 2ken s ILE 91 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.83 2ken s ILE 91 Cb -0.00 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.38 2ken s ILE 91 CO -0.05 0.08 -0.14 -0.70 0.00 0.00 0.00 174.94 174.13 2ken s GLU 92 N 0.88 1.86 0.22 2.79 2.56 -0.73 -4.97 118.70 121.32 2ken s GLU 92 Ca -0.08 -0.49 -0.30 0.00 0.00 0.00 0.00 54.97 54.11 2ken s GLU 92 Cb -0.11 -1.52 -0.09 0.00 2.00 0.00 0.00 34.13 34.41 2ken s GLU 92 CO -0.02 0.07 1.26 0.21 -0.56 0.00 0.00 175.26 176.22 2ken s LYS 93 N 0.56 4.43 -0.12 4.30 2.20 -1.26 -1.42 119.74 128.42 2ken s LYS 93 Ca -0.14 2.02 -0.12 0.00 -0.36 0.00 0.00 55.97 57.37 2ken s LYS 93 Cb -0.16 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2ken s LYS 93 CO 0.04 -0.16 0.26 -0.51 -0.36 0.00 0.00 175.35 174.62 2ken s LEU 94 N -0.51 4.32 0.00 5.43 1.43 -1.11 -4.90 118.68 123.34 2ken s LEU 94 Ca 0.54 0.56 0.28 0.00 -1.03 0.00 0.00 54.13 54.47 2ken s LEU 94 Cb -0.36 -2.31 1.07 0.00 0.03 0.00 0.00 46.19 44.62 2ken s LEU 94 CO 0.40 0.23 1.77 -1.54 0.23 0.00 0.00 176.35 177.44 2ken n SER 95 N 2.85 0.46 -4.56 2.29 3.41 -1.26 -4.65 113.62 112.16 2ken n SER 95 Ca -0.15 -0.40 -0.34 0.00 -0.26 0.00 0.00 58.87 57.73 2ken n SER 95 Cb 0.53 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ken s GLU 96 N -2.63 3.74 0.43 4.33 2.12 -1.26 -5.10 118.70 120.33 2ken s GLU 96 Ca 0.24 -0.45 -0.23 0.00 0.36 0.00 0.00 54.97 54.89 2ken s GLU 96 Cb 0.19 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 31.49 2ken s GLU 96 CO 0.52 0.28 1.04 -1.25 -0.54 0.00 0.00 175.26 175.32 2ken s PRO 97 N 0.29 4.05 -0.14 4.30 0.04 -1.26 -4.78 135.00 137.50 2ken s PRO 97 Ca -0.01 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2ken s PRO 97 Cb -0.13 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2ken s PRO 97 CO 0.02 -0.23 -0.06 0.42 0.04 0.00 0.00 177.00 177.19 2ken s ILE 98 N -1.77 3.70 -0.24 0.56 1.01 -1.26 -5.09 121.20 118.10 2ken s ILE 98 Ca 0.61 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 2ken s ILE 98 Cb -0.20 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2ken s ILE 98 CO 0.25 0.52 0.28 -1.61 0.00 0.00 0.00 174.94 174.37 2ken s GLU 99 N 0.16 4.07 0.00 2.79 8.01 -1.26 -4.93 118.70 127.54 2ken s GLU 99 Ca -0.03 -0.08 0.29 0.00 0.01 0.00 0.00 54.97 55.16 2ken s GLU 99 Cb -0.14 -3.58 1.31 0.00 -4.31 0.00 0.00 34.13 27.41 2ken s GLU 99 CO 0.03 -0.08 1.90 0.28 0.01 0.00 0.00 175.26 177.41 2ken n VAL 100 N 4.60 0.00 0.00 2.63 0.31 -1.26 -4.90 118.33 119.71 2ken n VAL 100 Ca -0.12 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2ken n VAL 100 Cb 0.51 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ken n GLY 101 N 1.22 4.35 0.46 2.92 0.00 -1.26 -4.90 105.19 107.98 2ken n GLY 101 Ca 0.17 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.59 2ken n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ken n LEU 102 N 0.00 1.47 0.00 0.99 4.77 -1.26 -5.04 117.00 117.93 2ken n LEU 102 Ca 0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2ken n LEU 102 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2ken n LEU 102 CO 0.00 0.25 0.00 -0.62 -1.33 0.00 0.00 177.39 175.69 2ken n GLU 103 N 0.07 0.00 -3.29 3.23 1.02 -1.26 -4.45 120.64 115.96 2ken n GLU 103 Ca 0.18 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.92 2ken n GLU 103 Cb 0.36 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.70 2ken n GLU 103 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2ken s HIS 104 N 0.00 3.24 0.00 -0.32 5.65 -1.26 -4.86 115.29 117.74 2ken s HIS 104 Ca 0.00 0.44 0.05 0.00 0.25 0.00 0.00 55.06 55.80 2ken s HIS 104 Cb 0.00 -2.72 0.08 0.00 -1.18 0.00 0.00 32.58 28.76 2ken s HIS 104 CO 0.00 -0.33 0.89 1.58 -0.65 0.00 0.00 174.74 176.23 2ken n HIS 105 N 5.52 0.00 0.00 3.88 -0.00 -1.26 -5.10 115.22 118.26 2ken n HIS 105 Ca -0.06 -0.17 0.00 0.00 0.46 0.00 0.00 57.72 57.95 2ken n HIS 105 Cb 0.50 0.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 2ken n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2ken n HIS 106 N 0.10 0.00 -2.95 1.57 -0.00 -1.26 -4.50 115.22 108.18 2ken n HIS 106 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.39 2ken n HIS 106 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.69 2ken n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ken s HIS 107 N 0.00 3.48 0.03 1.57 5.65 -1.26 -5.09 115.29 119.67 2ken s HIS 107 Ca 0.00 0.92 -0.21 0.00 0.25 0.00 0.00 55.06 56.02 2ken s HIS 107 Cb 0.00 -2.35 0.05 0.00 -1.18 0.00 0.00 32.58 29.10 2ken s HIS 107 CO 0.00 -0.06 0.49 -3.38 -0.65 0.00 0.00 174.74 171.14 2ken s HIS 108 N -2.34 -0.39 0.00 3.88 -0.00 -1.26 -5.22 115.29 109.96 2ken s HIS 108 Ca 0.49 0.46 0.00 0.00 -0.00 0.00 0.00 55.06 56.01 2ken s HIS 108 Cb -0.10 0.29 0.00 0.00 -0.00 0.00 0.00 32.58 32.77 2ken s HIS 108 CO 0.32 -0.60 0.00 -2.39 -0.00 0.00 0.00 174.74 172.08