#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken s GLU 2 N 0.00 3.49 1.01 0.03 2.02 -1.26 -5.03 118.70 118.96 2ken s GLU 2 Ca 0.00 1.32 -0.12 0.00 0.02 0.00 0.00 54.97 56.18 2ken s GLU 2 Cb 0.00 -2.05 0.19 0.00 0.10 0.00 0.00 34.13 32.37 2ken s GLU 2 CO 0.00 -0.68 1.09 -1.25 0.02 0.00 0.00 175.26 174.44 2ken s PRO 3 N -3.66 0.34 -0.40 0.39 0.04 -1.26 -4.96 135.00 125.50 2ken s PRO 3 Ca 0.66 0.50 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 2ken s PRO 3 Cb -0.17 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.66 2ken s PRO 3 CO 0.29 -2.79 1.06 -0.65 0.04 0.00 0.00 177.00 174.96 2ken s GLN 4 N -4.96 3.86 -0.01 4.56 -1.52 -1.26 -4.99 119.66 115.34 2ken s GLN 4 Ca 0.65 0.73 -0.26 0.00 -1.95 0.00 0.00 55.36 54.53 2ken s GLN 4 Cb -0.19 -3.83 -0.04 0.00 -0.22 0.00 0.00 33.01 28.74 2ken s GLN 4 CO 0.58 -1.11 0.83 -0.51 -0.25 0.00 0.00 175.29 174.82 2ken s LEU 5 N 3.93 4.38 -0.08 2.90 1.43 -1.26 -2.39 118.68 127.58 2ken s LEU 5 Ca 0.44 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.04 2ken s LEU 5 Cb -0.10 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 2ken s LEU 5 CO 0.23 -0.13 -0.23 -0.89 0.23 0.00 0.00 176.35 175.56 2ken s THR 6 N 0.60 2.18 0.19 5.49 2.01 -1.08 -4.93 115.64 120.10 2ken s THR 6 Ca 0.43 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.45 2ken s THR 6 Cb -0.20 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2ken s THR 6 CO 0.23 0.56 0.35 -0.54 -0.69 0.00 0.00 174.62 174.53 2ken s LYS 7 N 0.10 3.47 0.17 4.92 1.02 -1.26 -4.72 119.74 123.44 2ken s LYS 7 Ca -0.11 -0.51 -0.16 0.00 0.02 0.00 0.00 55.97 55.21 2ken s LYS 7 Cb -0.16 -2.89 0.11 0.00 -0.52 0.00 0.00 37.83 34.37 2ken s LYS 7 CO 0.06 0.44 1.68 0.82 -0.92 0.00 0.00 175.35 177.44 2ken h ILE 8 N 1.49 0.64 0.00 2.17 1.08 -1.98 0.53 117.51 121.43 2ken h ILE 8 Ca -0.49 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2ken h ILE 8 Cb 1.20 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2ken h ILE 8 CO 0.67 0.01 0.00 0.55 -0.69 0.00 0.00 178.15 178.69 2ken n VAL 9 N -5.26 0.88 1.24 1.67 3.14 -1.26 -1.72 118.33 117.02 2ken n VAL 9 Ca 0.03 0.26 0.13 0.00 -2.96 0.00 0.00 64.34 61.79 2ken n VAL 9 Cb 0.22 -1.17 0.31 0.00 -1.06 0.00 0.00 33.84 32.15 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 -2.12 1.54 0.00 6.55 2.03 0.17 -4.50 116.55 120.22 2ken n ASP 10 Ca 0.02 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.05 2ken n ASP 10 Cb 0.21 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2ken n ASP 10 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ken n ILE 11 N -0.11 0.00 -1.62 5.18 5.41 -0.50 -4.68 119.36 123.03 2ken n ILE 11 Ca 0.14 1.31 0.00 0.00 1.00 0.00 0.00 62.75 65.19 2ken n ILE 11 Cb 0.40 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 2ken n ILE 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2ken n VAL 12 N -1.49 0.00 -3.28 1.39 0.24 -1.26 -4.71 118.33 109.21 2ken n VAL 12 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2ken n VAL 12 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2ken n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ken s GLU 13 N -2.86 0.37 0.37 7.34 2.12 -1.26 -5.16 118.70 119.61 2ken s GLU 13 Ca 0.00 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 55.99 2ken s GLU 13 Cb 0.00 0.44 -0.07 0.00 0.26 0.00 0.00 34.13 34.77 2ken s GLU 13 CO 0.00 -0.28 0.72 0.54 -0.54 0.00 0.00 175.26 175.70 2ken s ASN 14 N 2.77 6.56 -0.48 -1.70 2.20 -1.26 -3.99 114.94 119.04 2ken s ASN 14 Ca 0.04 1.09 0.00 0.00 -0.94 0.00 0.00 52.86 53.05 2ken s ASN 14 Cb -0.10 -2.30 0.00 0.00 -2.00 0.00 0.00 41.25 36.84 2ken s ASN 14 CO -0.17 -0.32 0.00 0.61 -2.94 0.00 0.00 177.10 174.28 2ken n GLY 15 N -1.02 0.53 3.81 0.45 0.00 0.26 -4.92 105.19 104.30 2ken n GLY 15 Ca 0.02 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 2ken n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ken s GLN 16 N -3.11 3.96 -0.19 1.61 0.74 -1.26 -4.68 119.66 116.73 2ken s GLN 16 Ca 0.00 0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.53 2ken s GLN 16 Cb 0.00 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2ken s GLN 16 CO 0.00 0.57 0.43 -1.58 -0.55 0.00 0.00 175.29 174.16 2ken s TRP 17 N -0.62 3.38 0.00 1.67 0.52 -1.26 -2.24 118.94 120.39 2ken s TRP 17 Ca 0.22 0.67 0.00 0.00 0.02 0.00 0.00 56.10 57.01 2ken s TRP 17 Cb -0.15 -2.56 0.00 0.00 -1.15 0.00 0.00 33.47 29.61 2ken s TRP 17 CO 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 176.95 177.06 2ken n ALA 18 N 4.47 0.00 -2.42 0.98 0.00 -1.07 -4.99 120.51 117.48 2ken n ALA 18 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2ken n ALA 18 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 2ken n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ken s ASN 19 N -0.12 3.59 -0.03 0.00 -0.87 -1.01 -2.57 114.94 113.94 2ken s ASN 19 Ca 0.00 -0.53 0.01 0.00 -1.57 0.00 0.00 52.86 50.77 2ken s ASN 19 Cb 0.00 -0.47 0.02 0.00 -0.02 0.00 0.00 41.25 40.78 2ken s ASN 19 CO 0.00 0.24 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.51 2ken s LEU 20 N -1.57 1.38 -0.13 0.60 0.20 0.16 -2.63 118.68 116.68 2ken s LEU 20 Ca 0.14 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.88 2ken s LEU 20 Cb -0.10 -0.37 -0.01 0.00 -0.43 0.00 0.00 46.19 45.29 2ken s LEU 20 CO 0.05 -0.05 -0.17 -0.75 -0.29 0.00 0.00 176.35 175.15 2ken s LYS 21 N 0.79 3.23 0.23 1.98 2.20 -1.26 -0.19 119.74 126.71 2ken s LYS 21 Ca -0.10 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.53 2ken s LYS 21 Cb -0.13 -2.55 0.04 0.00 -1.51 0.00 0.00 37.83 33.68 2ken s LYS 21 CO -0.00 0.11 0.81 0.00 -0.36 0.00 0.00 175.35 175.91 2ken s ALA 22 N 0.57 -1.39 0.16 3.13 0.00 -1.13 -4.83 121.76 118.27 2ken s ALA 22 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2ken s ALA 22 Cb -0.16 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2ken s ALA 22 CO 0.04 -1.04 0.19 0.21 0.00 0.00 0.00 175.76 175.16 2ken s LYS 23 N -3.67 3.10 -0.36 0.00 2.20 -1.07 -2.40 119.74 117.54 2ken s LYS 23 Ca 0.11 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.79 2ken s LYS 23 Cb -0.04 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.51 2ken s LYS 23 CO 0.05 0.50 0.39 0.08 -0.36 0.00 0.00 175.35 176.00 2ken s VAL 24 N -1.75 5.14 -0.15 4.02 1.01 -1.15 0.69 120.40 128.21 2ken s VAL 24 Ca 0.32 -0.06 0.21 0.00 0.00 0.00 0.00 61.98 62.45 2ken s VAL 24 Cb -0.10 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2ken s VAL 24 CO 0.25 -0.19 0.77 2.30 0.00 0.00 0.00 175.10 178.23 2ken n ILE 25 N 5.30 0.66 -3.70 2.22 -0.00 -1.19 -2.59 119.36 120.05 2ken n ILE 25 Ca -0.08 -0.60 -0.12 0.00 -0.00 0.00 0.00 62.75 61.95 2ken n ILE 25 Cb 0.49 -0.36 -0.10 0.00 -0.00 0.00 0.00 39.64 39.67 2ken n ILE 25 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2ken s GLN 26 N -3.23 0.50 -0.02 6.28 0.74 -1.26 -4.93 119.66 117.73 2ken s GLN 26 Ca -0.04 0.72 0.01 0.00 0.05 0.00 0.00 55.36 56.11 2ken s GLN 26 Cb 0.10 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 2ken s GLN 26 CO 0.83 -0.10 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.95 2ken s LEU 27 N 0.71 3.46 -0.11 3.68 2.01 -1.26 -2.23 118.68 124.95 2ken s LEU 27 Ca -0.04 0.01 -0.04 0.00 0.01 0.00 0.00 54.13 54.07 2ken s LEU 27 Cb -0.05 -1.93 0.06 0.00 0.01 0.00 0.00 46.19 44.28 2ken s LEU 27 CO -0.05 0.31 0.21 0.26 1.01 0.00 0.00 176.35 178.08 2ken s TRP 28 N -1.01 -0.29 0.15 0.29 0.52 -0.25 -4.98 118.94 113.37 2ken s TRP 28 Ca 0.17 0.77 -0.16 0.00 0.02 0.00 0.00 56.10 56.90 2ken s TRP 28 Cb -0.11 -0.16 -0.07 0.00 -1.15 0.00 0.00 33.47 31.97 2ken s TRP 28 CO 0.08 -0.32 0.58 -1.83 0.02 0.00 0.00 176.95 175.48 2ken s GLU 29 N 2.35 4.06 -0.09 4.98 1.03 -1.26 -0.85 118.70 128.93 2ken s GLU 29 Ca 0.02 0.60 -0.04 0.00 0.03 0.00 0.00 54.97 55.58 2ken s GLU 29 Cb -0.12 -2.97 0.05 0.00 -0.80 0.00 0.00 34.13 30.28 2ken s GLU 29 CO -0.07 0.49 0.19 1.21 -1.33 0.00 0.00 175.26 175.75 2ken s ASN 30 N -1.61 0.02 0.00 0.83 3.04 -1.06 -4.86 114.94 111.30 2ken s ASN 30 Ca 0.37 0.41 0.00 0.00 0.04 0.00 0.00 52.86 53.68 2ken s ASN 30 Cb -0.16 0.33 0.00 0.00 -1.54 0.00 0.00 41.25 39.88 2ken s ASN 30 CO 0.19 -0.18 0.81 1.07 -3.04 0.00 0.00 177.10 175.96 2ken n THR 31 N 4.50 0.00 -0.10 -5.21 5.66 -1.22 -3.36 114.28 114.55 2ken n THR 31 Ca -0.21 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.67 2ken n THR 31 Cb 0.52 0.41 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 2ken n THR 31 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2ken h HIS 32 N 0.00 0.75 0.00 1.09 3.86 -1.95 -3.47 115.15 115.43 2ken h HIS 32 Ca 0.00 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2ken h HIS 32 Cb 1.26 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ken h HIS 32 CO -0.00 0.87 0.00 0.39 0.86 0.00 0.00 177.93 180.05 2ken n GLU 33 N -4.38 1.20 0.00 2.45 1.02 -1.26 -4.97 120.64 114.70 2ken n GLU 33 Ca -0.03 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.26 2ken n GLU 33 Cb 0.38 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 32.47 2ken n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ken n SER 34 N 0.00 0.58 -4.71 1.62 3.41 -1.26 -4.83 113.62 108.44 2ken n SER 34 Ca 0.00 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 2ken n SER 34 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.26 3.87 -0.17 -1.33 1.01 -1.26 -3.93 121.20 117.14 2ken s ILE 35 Ca 0.35 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 62.19 2ken s ILE 35 Cb 0.21 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 2ken s ILE 35 CO 0.42 0.07 -0.18 -0.24 0.00 0.00 0.00 174.94 175.01 2ken n SER 36 N 4.36 1.86 -3.76 3.58 2.88 -0.88 -3.45 113.62 118.21 2ken n SER 36 Ca 0.10 0.51 -0.13 0.00 -1.33 0.00 0.00 58.87 58.03 2ken n SER 36 Cb 0.45 -0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 2ken n SER 36 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2ken s GLN 37 N -2.44 0.69 0.04 -1.46 0.74 -1.09 -2.55 119.66 113.59 2ken s GLN 37 Ca -0.22 -0.24 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 2ken s GLN 37 Cb 0.04 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.43 2ken s GLN 37 CO 0.34 -0.20 0.02 0.54 -0.55 0.00 0.00 175.29 175.44 2ken s VAL 38 N -1.51 0.16 0.02 1.34 0.11 -0.03 -0.60 120.40 119.88 2ken s VAL 38 Ca -0.12 -1.32 -0.03 0.00 -2.93 0.00 0.00 61.98 57.58 2ken s VAL 38 Cb -0.05 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2ken s VAL 38 CO 0.03 -0.73 0.13 0.61 -3.33 0.00 0.00 175.10 171.81 2ken n GLY 39 N 0.69 1.06 3.52 6.54 0.00 -1.13 -1.09 105.19 114.79 2ken n GLY 39 Ca -0.18 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 2.85 -0.16 0.99 2.01 -0.95 -2.48 118.68 120.94 2ken s LEU 40 Ca 0.03 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.82 2ken s LEU 40 Cb -0.00 -1.67 0.00 0.00 0.01 0.00 0.00 46.19 44.54 2ken s LEU 40 CO 0.00 0.24 -0.16 -0.76 1.01 0.00 0.00 176.35 176.68 2ken s LEU 41 N -1.63 2.39 -0.66 1.79 1.43 -0.29 -3.18 118.68 118.53 2ken s LEU 41 Ca 0.17 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 2ken s LEU 41 Cb -0.11 -1.54 0.13 0.00 0.03 0.00 0.00 46.19 44.70 2ken s LEU 41 CO 0.08 0.06 0.75 -0.83 0.23 0.00 0.00 176.35 176.64 2ken s GLY 42 N 0.93 1.94 0.28 -3.19 0.00 0.22 -2.29 107.32 105.22 2ken s GLY 42 Ca -0.03 -2.48 0.05 0.00 0.00 0.00 0.00 44.72 42.26 2ken s GLY 42 CO -0.03 1.56 0.42 -0.35 0.00 0.00 0.00 173.10 174.70 2ken s ASP 43 N 3.42 6.23 0.51 1.64 2.15 0.68 -2.59 116.67 128.71 2ken s ASP 43 Ca 0.14 0.07 0.34 0.00 0.43 0.00 0.00 52.55 53.53 2ken s ASP 43 Cb -0.20 -1.74 1.58 0.00 -0.30 0.00 0.00 42.92 42.26 2ken s ASP 43 CO 0.02 -0.20 2.01 -0.33 -0.17 0.00 0.00 175.17 176.51 2ken h GLU 44 N 1.03 0.00 -0.01 4.34 5.08 -1.96 -1.34 114.58 121.72 2ken h GLU 44 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2ken h GLU 44 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ken h GLU 44 CO 0.59 0.00 -0.35 0.25 -1.00 0.00 0.00 179.01 178.50 2ken n THR 45 N -2.86 0.00 0.00 1.13 -2.24 -1.26 -4.97 114.28 104.09 2ken n THR 45 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2ken n THR 45 Cb 0.20 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.37 0.21 3.21 3.38 0.00 -0.50 -4.77 105.19 108.10 2ken n GLY 46 Ca 0.11 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2ken n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ken s ILE 47 N -4.00 0.62 -0.06 -0.61 -4.36 -1.26 -0.23 121.20 111.30 2ken s ILE 47 Ca 0.00 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 2ken s ILE 47 Cb 0.00 -2.01 0.09 0.00 1.25 0.00 0.00 42.46 41.79 2ken s ILE 47 CO 0.00 -0.57 0.76 -0.51 0.24 0.00 0.00 174.94 174.86 2ken s ILE 48 N -3.69 0.00 0.44 8.37 2.07 -0.97 -4.96 121.20 122.47 2ken s ILE 48 Ca 0.21 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.40 2ken s ILE 48 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 2ken s ILE 48 CO 0.02 0.00 0.74 -0.54 -1.91 0.00 0.00 174.94 173.24 2ken s LYS 49 N -1.48 3.56 0.03 3.50 1.02 -1.26 -1.14 119.74 123.97 2ken s LYS 49 Ca -0.07 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 55.95 2ken s LYS 49 Cb -0.00 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2ken s LYS 49 CO 0.05 -0.11 0.23 -0.59 -0.92 0.00 0.00 175.35 174.01 2ken s PHE 50 N -2.61 -0.02 -0.04 3.18 -0.71 -1.04 -2.71 117.98 114.03 2ken s PHE 50 Ca 0.46 -0.14 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 2ken s PHE 50 Cb -0.10 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2ken s PHE 50 CO 0.41 -0.44 -0.05 0.99 -1.34 0.00 0.00 175.22 174.80 2ken s THR 51 N -2.35 0.58 -0.18 -4.49 2.01 -0.41 -2.83 115.64 107.97 2ken s THR 51 Ca -0.07 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 2ken s THR 51 Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2ken s THR 51 CO -0.02 0.23 0.05 -0.63 -0.69 0.00 0.00 174.62 173.56 2ken s ILE 52 N 0.87 4.68 0.20 1.82 1.01 0.23 -1.63 121.20 128.39 2ken s ILE 52 Ca -0.12 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 2ken s ILE 52 Cb -0.14 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 2ken s ILE 52 CO 0.01 0.46 0.64 0.26 0.00 0.00 0.00 174.94 176.31 2ken s TRP 53 N 0.41 3.58 0.31 3.97 0.52 -1.08 -2.07 118.94 124.58 2ken s TRP 53 Ca 0.02 1.20 0.01 0.00 0.02 0.00 0.00 56.10 57.35 2ken s TRP 53 Cb -0.13 -2.48 0.53 0.00 -1.15 0.00 0.00 33.47 30.24 2ken s TRP 53 CO 0.01 0.34 1.93 0.87 0.02 0.00 0.00 176.95 180.12 2ken h LYS 54 N 3.28 0.99 0.00 4.98 1.57 -1.90 0.89 116.57 126.38 2ken h LYS 54 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2ken h LYS 54 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2ken h LYS 54 CO 0.66 0.66 0.01 0.27 -0.57 0.00 0.00 179.45 180.47 2ken n ASN 55 N -4.47 0.00 0.04 0.86 0.23 -1.26 -0.51 115.26 110.16 2ken n ASN 55 Ca 0.12 0.24 -0.04 0.00 -0.53 0.00 0.00 54.58 54.37 2ken n ASN 55 Cb 0.16 -0.24 -0.09 0.00 -2.08 0.00 0.00 39.78 37.53 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ken h ALA 56 N 1.95 0.62 -5.95 -2.53 0.00 -1.12 -3.38 119.26 108.86 2ken h ALA 56 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 54.91 53.56 2ken h ALA 56 Cb 0.01 0.17 0.10 0.00 0.00 0.00 0.00 17.79 18.07 2ken h ALA 56 CO 0.00 1.14 -0.84 0.39 0.00 0.00 0.00 179.25 179.94 2ken n GLU 57 N -3.11 -4.22 -4.29 0.00 1.02 0.33 -4.78 120.64 105.59 2ken n GLU 57 Ca -0.07 0.67 -0.31 0.00 -0.02 0.00 0.00 57.16 57.43 2ken n GLU 57 Cb 0.91 -5.23 -0.09 0.00 -0.02 0.00 0.00 31.44 27.01 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ken s LEU 58 N -6.40 3.26 0.91 -4.62 1.43 -1.26 -5.12 118.68 106.88 2ken s LEU 58 Ca 0.14 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2ken s LEU 58 Cb -0.03 -1.95 0.14 0.00 0.03 0.00 0.00 46.19 44.37 2ken s LEU 58 CO 0.80 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.54 2ken s PRO 59 N -1.87 1.15 0.31 1.29 0.04 -1.26 -4.99 135.00 129.68 2ken s PRO 59 Ca 0.21 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 2ken s PRO 59 Cb -0.11 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2ken s PRO 59 CO 0.12 -2.34 1.13 -0.51 0.04 0.00 0.00 177.00 175.44 2ken s LEU 60 N -6.31 4.45 0.26 -3.56 1.43 -1.26 -5.02 118.68 108.67 2ken s LEU 60 Ca 0.64 2.31 -0.21 0.00 -1.03 0.00 0.00 54.13 55.84 2ken s LEU 60 Cb -0.19 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.20 2ken s LEU 60 CO 0.58 -0.30 0.79 -0.76 0.23 0.00 0.00 176.35 176.88 2ken s LEU 61 N -1.76 4.31 -0.03 1.79 1.02 -1.26 -5.05 118.68 117.69 2ken s LEU 61 Ca 0.48 1.52 -0.15 0.00 0.02 0.00 0.00 54.13 56.00 2ken s LEU 61 Cb -0.32 -3.76 -0.05 0.00 0.02 0.00 0.00 46.19 42.08 2ken s LEU 61 CO 0.41 -0.02 0.41 -1.61 0.02 0.00 0.00 176.35 175.55 2ken s GLU 62 N -2.12 4.01 0.21 1.70 0.41 -1.26 -5.05 118.70 116.61 2ken s GLU 62 Ca 0.46 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 55.12 2ken s GLU 62 Cb -0.16 -3.27 -0.08 0.00 -1.78 0.00 0.00 34.13 28.83 2ken s GLU 62 CO 0.21 0.57 1.07 -1.14 -0.49 0.00 0.00 175.26 175.48 2ken s GLN 63 N -0.67 4.65 0.00 1.61 0.74 -1.26 -3.12 119.66 121.62 2ken s GLN 63 Ca 0.23 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.34 2ken s GLN 63 Cb -0.16 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2ken s GLN 63 CO 0.12 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.46 2ken n GLY 64 N 1.74 0.80 3.83 2.59 0.00 -1.07 -5.05 105.19 108.03 2ken n GLY 64 Ca 0.01 0.00 -0.22 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 -0.72 2.83 -0.07 1.61 2.02 -1.18 -4.93 118.70 118.26 2ken s GLU 65 Ca 0.00 -1.17 -0.05 0.00 0.02 0.00 0.00 54.97 53.78 2ken s GLU 65 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2ken s GLU 65 CO 0.00 0.27 0.14 -1.12 0.02 0.00 0.00 175.26 174.56 2ken s SER 66 N -3.91 6.23 0.06 -0.19 0.01 -1.26 -2.93 113.70 111.71 2ken s SER 66 Ca 0.36 0.37 0.03 0.00 1.31 0.00 0.00 55.95 58.02 2ken s SER 66 Cb -0.07 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 2ken s SER 66 CO 0.26 0.34 -0.09 -0.31 0.41 0.00 0.00 173.24 173.85 2ken s TYR 67 N -1.13 0.84 -0.14 2.43 2.02 -1.01 -2.71 117.35 117.65 2ken s TYR 67 Ca 0.20 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 2ken s TYR 67 Cb -0.12 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 2ken s TYR 67 CO 0.10 -0.06 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.80 2ken s LEU 68 N -1.94 3.23 -0.33 -1.29 2.96 -0.05 -2.82 118.68 118.45 2ken s LEU 68 Ca -0.04 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2ken s LEU 68 Cb -0.07 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.89 2ken s LEU 68 CO -0.00 0.20 0.10 -0.76 -1.32 0.00 0.00 176.35 174.57 2ken s LEU 69 N 0.17 4.20 0.08 -0.68 1.43 0.73 -2.50 118.68 122.12 2ken s LEU 69 Ca -0.02 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.09 2ken s LEU 69 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2ken s LEU 69 CO 0.03 -0.29 -0.03 -0.13 0.23 0.00 0.00 176.35 176.15 2ken s ARG 70 N 1.43 2.46 -1.16 1.70 0.52 -1.10 -0.67 118.95 122.13 2ken s ARG 70 Ca -0.01 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.21 2ken s ARG 70 Cb -0.19 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 2ken s ARG 70 CO 0.03 0.54 0.79 -1.13 0.02 0.00 0.00 175.30 175.55 2ken n SER 71 N 0.73 -4.66 -4.63 0.23 3.41 -1.24 -2.68 113.62 104.79 2ken n SER 71 Ca -0.12 -0.92 -0.26 0.00 -0.26 0.00 0.00 58.87 57.31 2ken n SER 71 Cb 0.52 -3.88 -0.10 0.00 -0.26 0.00 0.00 64.21 60.49 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2ken s VAL 72 N -3.51 2.28 0.12 -3.33 -7.23 -1.06 -4.06 120.40 103.61 2ken s VAL 72 Ca 0.37 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.63 2ken s VAL 72 Cb -0.11 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2ken s VAL 72 CO 0.83 -0.10 -0.18 0.54 -0.31 0.00 0.00 175.10 175.88 2ken s VAL 73 N -2.62 1.59 -0.07 1.32 0.11 -1.21 -2.58 120.40 116.94 2ken s VAL 73 Ca 0.35 -1.63 -0.18 0.00 -2.93 0.00 0.00 61.98 57.59 2ken s VAL 73 Cb 0.05 -1.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.29 2ken s VAL 73 CO 0.19 -0.20 0.50 -0.69 -3.33 0.00 0.00 175.10 171.56 2ken s VAL 74 N -1.55 5.09 0.03 2.04 1.01 -0.95 -1.86 120.40 124.21 2ken s VAL 74 Ca 0.08 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2ken s VAL 74 Cb -0.08 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ken s VAL 74 CO 0.04 0.39 0.12 -0.83 0.00 0.00 0.00 175.10 174.82 2ken s GLY 75 N 0.15 2.08 -0.61 4.51 0.00 0.24 0.89 107.32 114.57 2ken s GLY 75 Ca 0.27 -0.89 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 2ken s GLY 75 CO 0.13 -0.82 0.85 1.85 0.00 0.00 0.00 173.10 175.11 2ken s GLU 76 N -2.11 3.11 -0.55 2.90 2.12 -1.26 -2.07 118.70 120.84 2ken s GLU 76 Ca 0.28 -0.92 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 2ken s GLU 76 Cb -0.12 -4.21 0.11 0.00 0.26 0.00 0.00 34.13 30.17 2ken s GLU 76 CO 0.20 -1.64 0.56 -0.47 -0.54 0.00 0.00 175.26 173.37 2ken s TYR 77 N 3.50 3.15 0.00 5.30 5.04 -0.70 -4.97 117.35 128.66 2ken s TYR 77 Ca 0.19 -1.07 0.00 0.00 -2.44 0.00 0.00 57.07 53.75 2ken s TYR 77 Cb -0.19 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2ken s TYR 77 CO 0.10 -1.08 0.00 0.27 -1.34 0.00 0.00 175.55 173.50 2ken n ASN 78 N 5.68 0.00 0.08 4.32 0.23 -1.26 0.34 115.26 124.65 2ken n ASN 78 Ca -0.12 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.05 2ken n ASN 78 Cb 0.42 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.15 2ken n ASN 78 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2ken n ASP 79 N 2.57 0.74 -4.94 0.53 2.03 -1.26 -4.90 116.55 111.32 2ken n ASP 79 Ca 0.00 0.18 -0.27 0.00 0.52 0.00 0.00 54.79 55.23 2ken n ASP 79 Cb 0.00 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2ken n ASP 79 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2ken s ARG 80 N -3.30 3.44 0.20 -0.67 3.52 0.15 -5.10 118.95 117.18 2ken s ARG 80 Ca 0.01 -0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 54.97 2ken s ARG 80 Cb 0.11 -2.97 -0.06 0.00 -1.56 0.00 0.00 34.95 30.47 2ken s ARG 80 CO 0.78 0.53 0.45 -0.06 -0.81 0.00 0.00 175.30 176.20 2ken s PHE 81 N -1.72 3.46 0.01 5.12 0.08 -1.26 -1.73 117.98 121.94 2ken s PHE 81 Ca 0.35 0.64 -0.08 0.00 0.12 0.00 0.00 56.93 57.95 2ken s PHE 81 Cb -0.11 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 2ken s PHE 81 CO 0.28 0.34 0.16 -1.14 -0.10 0.00 0.00 175.22 174.76 2ken s GLN 82 N -2.91 0.55 -0.26 0.44 0.74 -0.88 -4.58 119.66 112.76 2ken s GLN 82 Ca 0.43 -0.47 -0.10 0.00 0.05 0.00 0.00 55.36 55.27 2ken s GLN 82 Cb -0.12 0.23 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 2ken s GLN 82 CO 0.25 -0.14 0.15 0.08 -0.55 0.00 0.00 175.29 175.08 2ken s VAL 83 N -1.76 5.09 -0.18 1.34 1.01 -1.10 0.79 120.40 125.59 2ken s VAL 83 Ca -0.12 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2ken s VAL 83 Cb -0.05 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2ken s VAL 83 CO 0.00 0.30 0.00 -1.10 0.00 0.00 0.00 175.10 174.30 2ken s GLN 84 N 1.51 3.72 -0.13 2.72 -0.21 -0.78 -1.29 119.66 125.20 2ken s GLN 84 Ca 0.07 -0.48 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 2ken s GLN 84 Cb -0.15 -3.05 -0.05 0.00 1.00 0.00 0.00 33.01 30.76 2ken s GLN 84 CO 0.08 0.16 0.26 0.08 -2.12 0.00 0.00 175.29 173.74 2ken s VAL 85 N 0.62 5.32 0.01 1.09 1.01 -0.65 -3.34 120.40 124.46 2ken s VAL 85 Ca -0.00 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2ken s VAL 85 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2ken s VAL 85 CO 0.02 0.48 0.01 0.59 0.00 0.00 0.00 175.10 176.19 2ken n ASN 86 N 2.93 0.62 -4.37 3.32 3.02 -1.26 -2.63 115.26 116.89 2ken n ASN 86 Ca -0.14 -1.06 -0.32 0.00 -0.03 0.00 0.00 54.58 53.02 2ken n ASN 86 Cb 0.53 0.04 0.17 0.00 -0.61 0.00 0.00 39.78 39.90 2ken n ASN 86 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ken n LYS 87 N -0.02 -1.29 0.00 3.52 4.81 -1.26 -2.07 118.16 121.85 2ken n LYS 87 Ca -0.00 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.09 2ken n LYS 87 Cb 0.02 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.21 2ken n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2ken n ASN 88 N -2.22 0.00 -4.83 3.14 2.85 -1.26 -4.95 115.26 107.99 2ken n ASN 88 Ca 0.03 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 2ken n ASN 88 Cb 0.58 -0.22 0.06 0.00 1.24 0.00 0.00 39.78 41.44 2ken n ASN 88 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ken s SER 89 N -1.11 5.16 0.17 1.20 1.04 -0.88 -4.85 113.70 114.43 2ken s SER 89 Ca 0.00 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.73 2ken s SER 89 Cb 0.00 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 2ken s SER 89 CO 0.00 -1.55 0.23 -0.94 0.98 0.00 0.00 173.24 171.96 2ken s SER 90 N -4.01 0.11 -0.02 7.02 1.04 -1.09 -5.02 113.70 111.73 2ken s SER 90 Ca 0.59 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2ken s SER 90 Cb -0.13 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2ken s SER 90 CO 0.54 -0.87 0.01 -0.63 0.98 0.00 0.00 173.24 173.27 2ken s ILE 91 N -4.02 0.06 -0.06 -1.02 1.01 -1.26 -2.71 121.20 113.20 2ken s ILE 91 Ca 0.22 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2ken s ILE 91 Cb 0.04 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.37 2ken s ILE 91 CO 0.03 0.10 -0.13 -1.61 0.00 0.00 0.00 174.94 173.32 2ken s GLU 92 N 0.85 1.75 0.25 2.79 2.02 -1.04 -4.93 118.70 120.39 2ken s GLU 92 Ca -0.08 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 2ken s GLU 92 Cb -0.11 -1.45 -0.09 0.00 0.10 0.00 0.00 34.13 32.58 2ken s GLU 92 CO -0.02 0.07 1.27 0.21 0.02 0.00 0.00 175.26 176.81 2ken s LYS 93 N 0.52 4.43 -0.12 1.61 2.20 -1.26 -0.87 119.74 126.25 2ken s LYS 93 Ca -0.13 2.05 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 2ken s LYS 93 Cb -0.15 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2ken s LYS 93 CO 0.04 -0.14 0.25 -1.17 -0.36 0.00 0.00 175.35 173.96 2ken s LEU 94 N -0.87 4.33 0.00 5.43 1.98 -1.10 -4.89 118.68 123.56 2ken s LEU 94 Ca 0.52 0.56 0.29 0.00 -2.89 0.00 0.00 54.13 52.61 2ken s LEU 94 Cb -0.36 -2.29 1.33 0.00 0.66 0.00 0.00 46.19 45.53 2ken s LEU 94 CO 0.43 0.26 1.94 -1.20 -1.89 0.00 0.00 176.35 175.88 2ken n SER 95 N 2.69 0.21 -4.08 3.68 7.64 -1.26 -4.67 113.62 117.84 2ken n SER 95 Ca -0.15 -0.27 -0.32 0.00 1.01 0.00 0.00 58.87 59.14 2ken n SER 95 Cb 0.53 -0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 63.38 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ken s GLU 96 N -2.59 2.69 0.71 1.43 2.12 -1.26 -5.13 118.70 116.68 2ken s GLU 96 Ca 0.27 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.77 2ken s GLU 96 Cb 0.20 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 32.23 2ken s GLU 96 CO 0.48 -0.23 1.07 -1.25 -0.54 0.00 0.00 175.26 174.80 2ken s PRO 97 N 1.37 2.80 0.14 4.30 0.04 -1.26 -4.96 135.00 137.43 2ken s PRO 97 Ca 0.05 0.82 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 2ken s PRO 97 Cb -0.13 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2ken s PRO 97 CO -0.12 -1.16 0.31 0.96 0.04 0.00 0.00 177.00 177.03 2ken s ILE 98 N -3.11 5.28 0.00 0.56 -0.00 -1.26 -5.05 121.20 117.62 2ken s ILE 98 Ca 0.58 -0.37 0.00 0.00 -0.00 0.00 0.00 60.65 60.86 2ken s ILE 98 Cb -0.14 -3.69 0.00 0.00 -0.00 0.00 0.00 42.46 38.64 2ken s ILE 98 CO 0.54 -0.03 0.29 -0.62 -0.00 0.00 0.00 174.94 175.13 2ken n GLU 99 N -0.24 0.00 0.00 0.37 1.02 -1.26 -4.54 120.64 115.99 2ken n GLU 99 Ca -0.05 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2ken n GLU 99 Cb 0.53 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 2ken n GLU 99 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ken n VAL 100 N -0.48 0.00 0.00 2.62 0.31 -1.26 -3.65 118.33 115.87 2ken n VAL 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ken n VAL 100 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 1.16 0.00 2.92 0.00 -1.26 -5.08 105.19 102.92 2ken n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ken n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ken n LEU 102 N -0.48 0.00 -4.45 0.99 7.94 -1.24 -5.11 117.00 114.65 2ken n LEU 102 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 2ken n LEU 102 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 2ken n LEU 102 CO 0.00 0.00 0.11 -0.70 -1.11 0.00 0.00 177.39 175.69 2ken s GLU 103 N 3.46 3.05 0.66 1.96 2.56 -1.26 -4.62 118.70 124.50 2ken s GLU 103 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 53.99 2ken s GLU 103 Cb 0.00 -4.04 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2ken s GLU 103 CO 0.00 -0.95 0.00 0.72 -0.56 0.00 0.00 175.26 174.47 2ken n HIS 104 N 5.54 -0.58 -0.15 5.30 8.25 -1.26 -3.13 115.22 129.19 2ken n HIS 104 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.31 2ken n HIS 104 Cb 0.46 0.06 0.11 0.00 1.12 0.00 0.00 29.99 31.74 2ken n HIS 104 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ken h HIS 105 N 0.00 0.97 -5.79 4.41 3.86 -2.04 -3.48 115.15 113.08 2ken h HIS 105 Ca 0.00 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2ken h HIS 105 Cb 0.00 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 2ken h HIS 105 CO 0.00 0.87 -0.99 1.58 0.86 0.00 0.00 177.93 180.25 2ken n HIS 106 N -4.21 -1.90 -2.59 2.45 -0.00 -1.18 -4.89 115.22 102.91 2ken n HIS 106 Ca 0.03 0.86 -0.37 0.00 -0.00 0.00 0.00 57.72 58.24 2ken n HIS 106 Cb 0.31 -2.41 -0.05 0.00 -0.00 0.00 0.00 29.99 27.84 2ken n HIS 106 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ken s HIS 107 N -1.24 3.41 0.13 1.57 3.76 -1.26 -4.96 115.29 116.71 2ken s HIS 107 Ca -0.01 1.68 -0.15 0.00 -0.15 0.00 0.00 55.06 56.44 2ken s HIS 107 Cb 0.00 -3.10 -0.01 0.00 1.11 0.00 0.00 32.58 30.58 2ken s HIS 107 CO 0.37 -0.42 1.60 1.25 -0.85 0.00 0.00 174.74 176.69 2ken h HIS 108 N 2.84 0.75 -0.00 1.40 2.76 -2.05 -3.56 115.15 117.30 2ken h HIS 108 Ca -0.48 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 2ken h HIS 108 Cb 1.21 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2ken h HIS 108 CO 0.59 0.74 0.00 1.58 -1.30 0.00 0.00 177.93 179.53