#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 0.79 -1.66 0.03 4.07 -1.26 -5.15 120.64 117.46 2ken n GLU 2 Ca 0.00 -1.59 -0.32 0.00 -0.06 0.00 0.00 57.16 55.19 2ken n GLU 2 Cb 0.00 -0.72 0.05 0.00 -0.06 0.00 0.00 31.44 30.71 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2ken s PRO 3 N 0.20 2.78 -0.39 5.31 0.04 -1.26 -4.97 135.00 136.71 2ken s PRO 3 Ca 0.21 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 2ken s PRO 3 Cb 0.29 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.90 2ken s PRO 3 CO -0.09 -1.24 1.08 -1.14 0.04 0.00 0.00 177.00 175.65 2ken s GLN 4 N -4.43 3.89 -0.09 4.56 0.74 -1.26 -5.01 119.66 118.05 2ken s GLN 4 Ca 0.63 0.79 -0.15 0.00 0.05 0.00 0.00 55.36 56.68 2ken s GLN 4 Cb -0.18 -3.82 -0.05 0.00 1.10 0.00 0.00 33.01 30.07 2ken s GLN 4 CO 0.46 -1.11 0.38 -0.51 -0.55 0.00 0.00 175.29 173.96 2ken s LEU 5 N 3.96 4.34 0.11 3.68 1.43 -1.26 -2.47 118.68 128.47 2ken s LEU 5 Ca 0.45 0.76 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2ken s LEU 5 Cb -0.10 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2ken s LEU 5 CO 0.23 0.16 -0.17 -0.89 0.23 0.00 0.00 176.35 175.91 2ken s THR 6 N -0.06 1.44 0.06 5.49 2.01 -1.03 -4.96 115.64 118.58 2ken s THR 6 Ca 0.22 -1.57 -0.05 0.00 0.31 0.00 0.00 61.69 60.60 2ken s THR 6 Cb -0.15 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 2ken s THR 6 CO 0.09 -0.25 0.29 -0.54 -0.69 0.00 0.00 174.62 173.52 2ken s LYS 7 N -2.20 3.57 0.21 4.92 1.02 -1.26 -4.74 119.74 121.27 2ken s LYS 7 Ca 0.06 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.82 2ken s LYS 7 Cb -0.08 -3.01 0.26 0.00 -0.52 0.00 0.00 37.83 34.48 2ken s LYS 7 CO 0.04 0.59 1.79 0.82 -0.92 0.00 0.00 175.35 177.67 2ken h ILE 8 N 2.59 0.93 0.00 2.17 1.08 -1.96 0.31 117.51 122.62 2ken h ILE 8 Ca -0.48 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2ken h ILE 8 Cb 1.18 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 2ken h ILE 8 CO 0.70 0.12 0.00 0.55 -0.69 0.00 0.00 178.15 178.82 2ken n VAL 9 N -4.83 1.15 0.20 1.67 3.14 -1.26 -1.38 118.33 117.02 2ken n VAL 9 Ca 0.09 0.32 0.10 0.00 -2.96 0.00 0.00 64.34 61.89 2ken n VAL 9 Cb 0.20 -1.17 0.27 0.00 -1.06 0.00 0.00 33.84 32.08 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 -1.70 3.21 -4.64 6.55 2.03 0.11 -4.88 116.55 117.22 2ken n ASP 10 Ca 0.02 -1.97 -0.41 0.00 0.52 0.00 0.00 54.79 52.95 2ken n ASP 10 Cb 0.14 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.30 4.92 0.00 5.18 1.01 -0.48 -4.82 121.20 125.70 2ken s ILE 11 Ca 0.40 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2ken s ILE 11 Cb 0.22 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2ken s ILE 11 CO 0.29 -0.01 0.16 1.33 0.00 0.00 0.00 174.94 176.71 2ken n VAL 12 N 5.12 0.00 -4.16 2.92 0.24 -1.26 -5.07 118.33 116.11 2ken n VAL 12 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 2ken n VAL 12 Cb 0.48 1.16 -0.16 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.00 0.73 0.31 7.34 2.56 -1.26 -5.15 118.70 123.23 2ken s GLU 13 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.97 54.88 2ken s GLU 13 Cb 0.00 -0.74 -0.03 0.00 2.00 0.00 0.00 34.13 35.36 2ken s GLU 13 CO 0.00 -0.04 0.49 0.54 -0.56 0.00 0.00 175.26 175.68 2ken s ASN 14 N 0.73 6.29 -0.47 -1.70 4.22 -1.26 -4.29 114.94 118.45 2ken s ASN 14 Ca -0.09 0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.94 2ken s ASN 14 Cb -0.13 -1.95 0.00 0.00 1.28 0.00 0.00 41.25 40.45 2ken s ASN 14 CO 0.00 -0.23 0.00 0.61 -2.04 0.00 0.00 177.10 175.44 2ken n GLY 15 N -1.67 0.72 3.87 0.45 0.00 0.22 -4.96 105.19 103.83 2ken n GLY 15 Ca -0.06 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.22 3.16 -0.17 1.61 -2.07 -1.26 -4.82 119.66 113.88 2ken s GLN 16 Ca 0.00 -0.79 -0.07 0.00 -1.82 0.00 0.00 55.36 52.67 2ken s GLN 16 Cb 0.00 -2.77 -0.04 0.00 -1.09 0.00 0.00 33.01 29.11 2ken s GLN 16 CO 0.00 0.48 0.08 -1.58 -1.32 0.00 0.00 175.29 172.95 2ken s TRP 17 N -1.84 3.32 0.35 9.60 0.52 -1.26 -2.28 118.94 127.35 2ken s TRP 17 Ca 0.33 0.19 -0.15 0.00 0.02 0.00 0.00 56.10 56.48 2ken s TRP 17 Cb -0.10 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2ken s TRP 17 CO 0.26 0.28 0.73 0.00 0.02 0.00 0.00 176.95 178.24 2ken s ALA 18 N 0.10 -0.68 0.01 0.98 0.00 -1.06 -4.98 121.76 116.12 2ken s ALA 18 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2ken s ALA 18 Cb -0.12 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2ken s ALA 18 CO 0.00 -0.97 -0.02 -0.80 0.00 0.00 0.00 175.76 173.97 2ken s ASN 19 N -3.05 0.24 -0.11 0.00 0.01 -1.03 -2.70 114.94 108.29 2ken s ASN 19 Ca 0.16 -0.17 -0.28 0.00 -0.71 0.00 0.00 52.86 51.86 2ken s ASN 19 Cb -0.05 0.01 0.07 0.00 0.41 0.00 0.00 41.25 41.69 2ken s ASN 19 CO 0.11 -0.07 0.66 -0.22 -1.51 0.00 0.00 177.10 176.07 2ken s LEU 20 N -0.47 -0.56 -0.04 0.60 2.96 -0.83 -2.47 118.68 117.87 2ken s LEU 20 Ca -0.04 0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 54.60 2ken s LEU 20 Cb -0.03 2.41 -0.05 0.00 0.50 0.00 0.00 46.19 49.02 2ken s LEU 20 CO -0.00 -0.49 0.38 -0.75 -1.32 0.00 0.00 176.35 174.16 2ken s LYS 21 N -0.75 3.96 0.08 1.98 2.20 -1.26 -2.17 119.74 123.78 2ken s LYS 21 Ca -0.08 0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 55.75 2ken s LYS 21 Cb -0.02 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2ken s LYS 21 CO 0.07 0.58 0.25 0.00 -0.36 0.00 0.00 175.35 175.90 2ken s ALA 22 N -0.69 -0.46 0.15 3.13 0.00 -1.01 -4.84 121.76 118.04 2ken s ALA 22 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2ken s ALA 22 Cb -0.16 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2ken s ALA 22 CO 0.11 -0.50 0.33 0.21 0.00 0.00 0.00 175.76 175.92 2ken s LYS 23 N -3.43 3.51 -0.58 0.00 2.20 -0.95 -2.35 119.74 118.13 2ken s LYS 23 Ca 0.01 -0.35 -0.20 0.00 -0.36 0.00 0.00 55.97 55.07 2ken s LYS 23 Cb 0.02 -2.90 0.09 0.00 -1.51 0.00 0.00 37.83 33.53 2ken s LYS 23 CO -0.09 0.48 0.74 0.08 -0.36 0.00 0.00 175.35 176.20 2ken s VAL 24 N -1.73 4.73 0.08 4.02 1.01 -1.08 0.80 120.40 128.23 2ken s VAL 24 Ca 0.38 -0.73 0.16 0.00 0.00 0.00 0.00 61.98 61.78 2ken s VAL 24 Cb -0.12 -4.48 0.08 0.00 0.00 0.00 0.00 36.38 31.86 2ken s VAL 24 CO 0.28 -1.11 1.61 0.40 0.00 0.00 0.00 175.10 176.28 2ken h ILE 25 N 5.92 0.97 -2.13 2.22 1.08 -1.88 -2.34 117.51 121.35 2ken h ILE 25 Ca -0.29 -1.91 0.14 0.00 -0.39 0.00 0.00 64.86 62.42 2ken h ILE 25 Cb 1.09 2.16 -0.16 0.00 -3.07 0.00 0.00 36.82 36.83 2ken h ILE 25 CO 1.08 0.47 0.55 -1.58 -0.69 0.00 0.00 178.15 177.98 2ken s GLN 26 N -3.35 0.73 0.11 2.37 0.74 -1.25 -4.87 119.66 114.14 2ken s GLN 26 Ca 0.01 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.17 2ken s GLN 26 Cb 0.10 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 2ken s GLN 26 CO 0.72 -0.32 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.55 2ken s LEU 27 N -2.44 2.51 -0.15 3.68 1.43 -1.26 -2.71 118.68 119.73 2ken s LEU 27 Ca 0.06 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2ken s LEU 27 Cb -0.01 -0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.16 2ken s LEU 27 CO -0.08 -0.44 0.16 0.86 0.23 0.00 0.00 176.35 177.08 2ken s TRP 28 N -3.57 -0.12 0.11 0.29 -0.11 0.71 -4.93 118.94 111.32 2ken s TRP 28 Ca 0.13 0.23 -0.31 0.00 1.22 0.00 0.00 56.10 57.37 2ken s TRP 28 Cb 0.05 -0.41 -0.08 0.00 -1.50 0.00 0.00 33.47 31.53 2ken s TRP 28 CO -0.04 -0.45 1.36 -2.00 -4.62 0.00 0.00 176.95 171.20 2ken s GLU 29 N 2.27 4.34 -0.15 5.86 2.56 -1.26 -2.15 118.70 130.16 2ken s GLU 29 Ca 0.04 2.03 0.00 0.00 0.00 0.00 0.00 54.97 57.05 2ken s GLU 29 Cb -0.14 -3.26 -0.01 0.00 2.00 0.00 0.00 34.13 32.72 2ken s GLU 29 CO -0.09 -0.40 -0.15 1.21 -0.56 0.00 0.00 175.26 175.27 2ken s ASN 30 N 1.05 3.74 -0.07 -1.70 3.84 -1.08 -4.94 114.94 115.77 2ken s ASN 30 Ca 0.63 -0.44 0.14 0.00 0.21 0.00 0.00 52.86 53.41 2ken s ASN 30 Cb -0.36 -1.57 0.43 0.00 -0.55 0.00 0.00 41.25 39.20 2ken s ASN 30 CO 0.31 0.11 1.36 0.41 -2.79 0.00 0.00 177.10 176.49 2ken n THR 31 N 3.92 1.53 0.73 -5.21 -1.04 -1.26 -4.53 114.28 108.41 2ken n THR 31 Ca -0.19 -1.32 0.02 0.00 -2.04 0.00 0.00 64.05 60.52 2ken n THR 31 Cb 0.52 0.21 0.09 0.00 -1.82 0.00 0.00 70.33 69.33 2ken n THR 31 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2ken n HIS 32 N 0.26 0.00 0.00 -1.42 -0.00 -1.26 -4.80 115.22 108.00 2ken n HIS 32 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2ken n HIS 32 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2ken n HIS 32 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2ken n GLU 33 N -0.64 0.00 -0.30 1.57 2.13 -1.26 -4.18 120.64 117.96 2ken n GLU 33 Ca 0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.81 2ken n GLU 33 Cb 0.01 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.80 2ken n GLU 33 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ken h SER 34 N 0.00 0.92 -3.11 4.31 4.64 -1.95 -3.41 113.55 114.95 2ken h SER 34 Ca 0.00 -0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.65 2ken h SER 34 Cb 0.00 -0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 61.74 2ken h SER 34 CO 0.00 0.66 -0.56 -0.63 -0.87 0.00 0.00 176.83 175.43 2ken s ILE 35 N -6.13 4.83 -0.16 0.95 1.01 -1.26 -4.00 121.20 116.45 2ken s ILE 35 Ca -0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 2ken s ILE 35 Cb 0.16 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 2ken s ILE 35 CO 0.79 0.56 0.01 0.77 0.00 0.00 0.00 174.94 177.07 2ken h SER 36 N 5.64 0.00 -5.03 3.58 4.64 -1.51 -3.38 113.55 117.50 2ken h SER 36 Ca -0.47 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 60.58 2ken h SER 36 Cb 1.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 2ken h SER 36 CO 0.61 0.96 -0.04 -1.58 -0.87 0.00 0.00 176.83 175.91 2ken s GLN 37 N -2.20 0.98 -0.01 4.77 0.74 -1.13 -2.64 119.66 120.17 2ken s GLN 37 Ca -0.18 -0.34 -0.11 0.00 0.05 0.00 0.00 55.36 54.78 2ken s GLN 37 Cb 0.03 0.44 0.01 0.00 1.10 0.00 0.00 33.01 34.59 2ken s GLN 37 CO 0.33 -0.35 0.23 0.54 -0.55 0.00 0.00 175.29 175.49 2ken s VAL 38 N -2.59 0.07 0.00 1.34 0.11 -0.92 -0.91 120.40 117.50 2ken s VAL 38 Ca -0.05 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2ken s VAL 38 Cb -0.01 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2ken s VAL 38 CO -0.03 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 2ken n GLY 39 N 1.40 1.87 3.35 6.54 0.00 -1.06 -0.21 105.19 117.09 2ken n GLY 39 Ca -0.22 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 2.29 -0.14 0.99 1.43 -1.10 -2.71 118.68 119.44 2ken s LEU 40 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2ken s LEU 40 Cb 0.00 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2ken s LEU 40 CO 0.00 0.16 -0.14 -0.76 0.23 0.00 0.00 176.35 175.84 2ken s LEU 41 N -1.88 2.59 -0.69 1.79 1.43 0.27 -2.99 118.68 119.19 2ken s LEU 41 Ca 0.12 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 2ken s LEU 41 Cb -0.10 -1.58 0.13 0.00 0.03 0.00 0.00 46.19 44.67 2ken s LEU 41 CO 0.05 0.13 0.78 -0.83 0.23 0.00 0.00 176.35 176.71 2ken s GLY 42 N 0.57 1.95 0.30 -3.19 0.00 0.24 -2.19 107.32 105.01 2ken s GLY 42 Ca -0.09 -2.50 -0.02 0.00 0.00 0.00 0.00 44.72 42.11 2ken s GLY 42 CO 0.03 1.59 0.53 -0.35 0.00 0.00 0.00 173.10 174.90 2ken s ASP 43 N 3.39 6.36 0.47 1.64 2.15 0.14 -2.25 116.67 128.58 2ken s ASP 43 Ca 0.16 0.54 0.31 0.00 0.43 0.00 0.00 52.55 54.00 2ken s ASP 43 Cb -0.19 -2.07 1.36 0.00 -0.30 0.00 0.00 42.92 41.72 2ken s ASP 43 CO 0.01 -0.22 1.93 -0.08 -0.17 0.00 0.00 175.17 176.64 2ken h GLU 44 N 1.30 0.00 0.00 4.34 4.81 -1.89 -2.19 114.58 120.95 2ken h GLU 44 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2ken h GLU 44 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2ken h GLU 44 CO 0.64 0.00 -1.09 0.25 -0.73 0.00 0.00 179.01 178.08 2ken n THR 45 N -2.80 0.01 -1.59 0.32 -2.24 -1.26 -4.88 114.28 101.84 2ken n THR 45 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2ken n THR 45 Cb 0.25 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.46 -0.51 3.27 3.38 0.00 -0.83 -4.61 105.19 107.36 2ken n GLY 46 Ca 0.03 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.59 1.22 -0.12 -0.61 -4.36 -1.26 0.28 121.20 112.75 2ken s ILE 47 Ca 0.00 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 58.02 2ken s ILE 47 Cb 0.00 -1.90 0.07 0.00 1.25 0.00 0.00 42.46 41.88 2ken s ILE 47 CO 0.00 -0.70 0.71 -0.51 0.24 0.00 0.00 174.94 174.67 2ken s ILE 48 N -3.30 0.00 0.68 8.37 2.07 -0.93 -4.95 121.20 123.14 2ken s ILE 48 Ca 0.18 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.32 2ken s ILE 48 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2ken s ILE 48 CO 0.02 0.00 1.04 -0.54 -1.91 0.00 0.00 174.94 173.55 2ken s LYS 49 N -0.74 2.87 -0.04 3.50 1.02 -1.26 -0.56 119.74 124.52 2ken s LYS 49 Ca -0.08 0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.98 2ken s LYS 49 Cb -0.01 -2.09 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 2ken s LYS 49 CO 0.07 -0.95 0.57 -0.59 -0.92 0.00 0.00 175.35 173.53 2ken s PHE 50 N -3.26 -0.52 -0.02 3.18 -0.71 -1.10 -2.76 117.98 112.80 2ken s PHE 50 Ca 0.57 0.87 0.01 0.00 -1.04 0.00 0.00 56.93 57.34 2ken s PHE 50 Cb -0.11 0.32 0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2ken s PHE 50 CO 0.50 -0.54 -0.02 -0.08 -1.34 0.00 0.00 175.22 173.73 2ken s THR 51 N -1.23 0.26 -0.18 -4.49 -1.32 -1.06 -2.55 115.64 105.06 2ken s THR 51 Ca -0.12 -0.05 -0.06 0.00 -1.21 0.00 0.00 61.69 60.25 2ken s THR 51 Cb -0.02 -0.28 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 2ken s THR 51 CO 0.08 0.12 0.03 -0.63 -2.21 0.00 0.00 174.62 172.01 2ken s ILE 52 N 0.44 4.46 0.16 5.08 1.01 -0.09 -1.70 121.20 130.56 2ken s ILE 52 Ca -0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2ken s ILE 52 Cb -0.07 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.32 2ken s ILE 52 CO -0.01 0.46 0.78 0.26 0.00 0.00 0.00 174.94 176.43 2ken s TRP 53 N 0.47 3.90 0.32 3.97 0.52 -1.11 -1.53 118.94 125.48 2ken s TRP 53 Ca 0.01 1.63 -0.00 0.00 0.02 0.00 0.00 56.10 57.76 2ken s TRP 53 Cb -0.13 -2.77 0.51 0.00 -1.15 0.00 0.00 33.47 29.93 2ken s TRP 53 CO 0.01 0.50 1.96 -0.22 0.02 0.00 0.00 176.95 179.23 2ken h LYS 54 N 4.39 0.94 0.00 4.98 3.64 -1.82 -0.38 116.57 128.31 2ken h LYS 54 Ca -0.47 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2ken h LYS 54 Cb 1.21 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2ken h LYS 54 CO 0.66 0.66 0.00 -1.71 -2.27 0.00 0.00 179.45 176.80 2ken n ASN 55 N -4.40 0.12 0.08 4.20 5.15 -1.26 -0.46 115.26 118.70 2ken n ASN 55 Ca 0.07 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 2ken n ASN 55 Cb 0.07 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 38.71 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ken h ALA 56 N 1.98 0.64 -6.05 5.20 0.00 -1.39 -3.43 119.26 116.22 2ken h ALA 56 Ca 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 54.91 53.83 2ken h ALA 56 Cb 0.01 0.08 0.07 0.00 0.00 0.00 0.00 17.79 17.95 2ken h ALA 56 CO 0.00 0.82 -0.85 0.39 0.00 0.00 0.00 179.25 179.61 2ken n GLU 57 N -3.08 -4.21 -4.07 0.00 -0.58 0.39 -4.62 120.64 104.47 2ken n GLU 57 Ca -0.04 0.62 -0.25 0.00 -0.42 0.00 0.00 57.16 57.07 2ken n GLU 57 Cb 0.80 -5.10 -0.05 0.00 -0.57 0.00 0.00 31.44 26.53 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 -6.54 3.89 0.68 -4.62 1.02 -1.26 -5.10 118.68 106.74 2ken s LEU 58 Ca 0.10 -0.11 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 2ken s LEU 58 Cb -0.03 -2.47 0.01 0.00 0.02 0.00 0.00 46.19 43.72 2ken s LEU 58 CO 0.81 0.04 1.14 -2.16 0.02 0.00 0.00 176.35 176.21 2ken s PRO 59 N -3.30 2.61 0.33 1.29 0.04 -1.26 -4.99 135.00 129.72 2ken s PRO 59 Ca 0.32 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 2ken s PRO 59 Cb -0.10 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2ken s PRO 59 CO 0.24 -1.42 1.11 -0.51 0.04 0.00 0.00 177.00 176.46 2ken s LEU 60 N -4.90 4.39 0.43 -3.56 1.43 -1.26 -5.02 118.68 110.19 2ken s LEU 60 Ca 0.70 2.24 -0.19 0.00 -1.03 0.00 0.00 54.13 55.85 2ken s LEU 60 Cb -0.24 -3.83 -0.10 0.00 0.03 0.00 0.00 46.19 42.05 2ken s LEU 60 CO 0.42 -0.33 0.92 -0.76 0.23 0.00 0.00 176.35 176.82 2ken s LEU 61 N -1.93 3.90 -0.14 1.79 1.02 -1.26 -5.06 118.68 117.00 2ken s LEU 61 Ca 0.50 1.58 -0.06 0.00 0.02 0.00 0.00 54.13 56.17 2ken s LEU 61 Cb -0.30 -4.44 -0.04 0.00 0.02 0.00 0.00 46.19 41.43 2ken s LEU 61 CO 0.38 -0.38 0.08 -1.61 0.02 0.00 0.00 176.35 174.84 2ken s GLU 62 N -3.34 3.54 0.18 1.70 2.02 -1.26 -5.04 118.70 116.50 2ken s GLU 62 Ca 0.60 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 2ken s GLU 62 Cb -0.09 -3.11 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 2ken s GLU 62 CO 0.18 0.57 1.21 -1.14 0.02 0.00 0.00 175.26 176.09 2ken s GLN 63 N -0.45 4.48 0.00 1.61 -0.44 -1.26 -2.69 119.66 120.90 2ken s GLN 63 Ca 0.10 1.89 0.00 0.00 -2.50 0.00 0.00 55.36 54.86 2ken s GLN 63 Cb -0.12 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.02 2ken s GLN 63 CO 0.02 -0.11 0.00 0.41 0.50 0.00 0.00 175.29 176.11 2ken n GLY 64 N 2.22 1.63 3.95 2.59 0.00 -0.88 -5.02 105.19 109.67 2ken n GLY 64 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.73 3.47 -0.10 1.61 8.01 -1.10 -4.87 118.70 125.01 2ken s GLU 65 Ca 0.00 -0.51 -0.06 0.00 0.01 0.00 0.00 54.97 54.41 2ken s GLU 65 Cb 0.00 -2.83 -0.04 0.00 -4.31 0.00 0.00 34.13 26.95 2ken s GLU 65 CO 0.00 0.37 0.13 -1.54 0.01 0.00 0.00 175.26 174.23 2ken s SER 66 N -3.63 6.23 0.10 -0.19 1.04 -1.26 -2.64 113.70 113.34 2ken s SER 66 Ca 0.37 0.40 0.03 0.00 0.48 0.00 0.00 55.95 57.23 2ken s SER 66 Cb -0.10 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2ken s SER 66 CO 0.30 0.38 -0.08 -0.31 0.98 0.00 0.00 173.24 174.51 2ken s TYR 67 N -1.06 0.96 -0.14 5.02 2.02 -0.99 -2.89 117.35 120.26 2ken s TYR 67 Ca 0.17 -0.75 -0.05 0.00 -0.37 0.00 0.00 57.07 56.07 2ken s TYR 67 Cb -0.12 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.87 2ken s TYR 67 CO 0.06 -0.06 0.03 -1.17 -1.57 0.00 0.00 175.55 172.84 2ken s LEU 68 N -2.65 3.70 -0.35 -1.29 2.96 0.13 -2.39 118.68 118.79 2ken s LEU 68 Ca 0.07 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 2ken s LEU 68 Cb 0.00 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.84 2ken s LEU 68 CO -0.02 0.26 0.11 -0.76 -1.32 0.00 0.00 176.35 174.62 2ken s LEU 69 N -0.16 4.41 0.08 -0.68 1.43 -0.92 -2.68 118.68 120.16 2ken s LEU 69 Ca 0.06 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 51.97 2ken s LEU 69 Cb -0.12 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2ken s LEU 69 CO 0.02 -0.35 -0.10 -0.13 0.23 0.00 0.00 176.35 176.01 2ken s ARG 70 N 1.37 2.22 -1.17 1.70 0.52 -1.10 -1.97 118.95 120.52 2ken s ARG 70 Ca -0.01 -0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 2ken s ARG 70 Cb -0.20 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 2ken s ARG 70 CO 0.02 0.53 0.77 -1.13 0.02 0.00 0.00 175.30 175.51 2ken n SER 71 N 0.97 -4.65 -4.71 0.23 3.41 -1.26 -2.41 113.62 105.22 2ken n SER 71 Ca -0.14 -0.97 -0.23 0.00 -0.26 0.00 0.00 58.87 57.27 2ken n SER 71 Cb 0.52 -3.60 -0.07 0.00 -0.26 0.00 0.00 64.21 60.80 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 -3.52 2.92 0.10 -3.33 -7.23 -1.10 -3.78 120.40 104.47 2ken s VAL 72 Ca 0.39 -1.76 0.09 0.00 -1.81 0.00 0.00 61.98 58.89 2ken s VAL 72 Cb -0.13 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2ken s VAL 72 CO 0.85 -0.18 -0.23 0.54 -0.31 0.00 0.00 175.10 175.76 2ken s VAL 73 N -2.45 1.88 -0.14 1.32 0.11 -1.21 -2.55 120.40 117.37 2ken s VAL 73 Ca 0.37 -1.57 -0.10 0.00 -2.93 0.00 0.00 61.98 57.75 2ken s VAL 73 Cb -0.02 -1.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 2ken s VAL 73 CO 0.22 0.03 0.20 -0.69 -3.33 0.00 0.00 175.10 171.53 2ken s VAL 74 N -1.08 5.38 0.23 2.04 1.01 -0.97 -1.10 120.40 125.90 2ken s VAL 74 Ca 0.09 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.53 2ken s VAL 74 Cb -0.10 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2ken s VAL 74 CO 0.04 0.52 -0.19 -0.83 0.00 0.00 0.00 175.10 174.64 2ken s GLY 75 N -0.33 1.65 -0.72 4.51 0.00 0.16 0.71 107.32 113.30 2ken s GLY 75 Ca 0.14 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 2ken s GLY 75 CO 0.03 -1.79 0.66 1.85 0.00 0.00 0.00 173.10 173.86 2ken s GLU 76 N -3.29 3.36 -0.26 2.90 2.56 -1.26 -1.00 118.70 121.72 2ken s GLU 76 Ca 0.24 -2.19 -0.08 0.00 0.00 0.00 0.00 54.97 52.95 2ken s GLU 76 Cb -0.04 -4.37 -0.02 0.00 2.00 0.00 0.00 34.13 31.69 2ken s GLU 76 CO 0.11 -1.30 0.08 -0.47 -0.56 0.00 0.00 175.26 173.11 2ken s TYR 77 N 0.69 3.10 -1.31 5.30 5.04 0.02 -4.57 117.35 125.62 2ken s TYR 77 Ca 0.12 -0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 54.28 2ken s TYR 77 Cb -0.18 -2.25 -0.00 0.00 0.35 0.00 0.00 41.96 39.88 2ken s TYR 77 CO -0.04 -0.38 0.68 0.09 -1.34 0.00 0.00 175.55 174.55 2ken n ASN 78 N 4.93 -1.15 0.00 4.32 5.03 -1.26 -0.65 115.26 126.48 2ken n ASN 78 Ca -0.16 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.46 2ken n ASN 78 Cb 0.51 -3.98 0.00 0.00 -1.02 0.00 0.00 39.78 35.29 2ken n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2ken n ASP 79 N -3.05 0.00 -4.89 6.41 -0.08 -1.26 -4.91 116.55 108.77 2ken n ASP 79 Ca -0.30 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.64 2ken n ASP 79 Cb 0.68 -0.96 -0.05 0.00 2.34 0.00 0.00 41.12 43.13 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2ken s ARG 80 N 0.00 3.61 0.39 -0.67 0.52 0.18 -5.07 118.95 117.91 2ken s ARG 80 Ca 0.00 -0.06 -0.24 0.00 -0.52 0.00 0.00 55.73 54.91 2ken s ARG 80 Cb 0.00 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.37 2ken s ARG 80 CO 0.00 0.59 1.02 -0.06 0.02 0.00 0.00 175.30 176.87 2ken s PHE 81 N -1.41 3.34 0.01 -0.53 0.08 -1.26 -0.80 117.98 117.40 2ken s PHE 81 Ca 0.32 1.66 -0.11 0.00 0.12 0.00 0.00 56.93 58.93 2ken s PHE 81 Cb -0.13 -3.07 0.01 0.00 -0.57 0.00 0.00 43.02 39.26 2ken s PHE 81 CO 0.19 -0.45 0.22 -1.14 -0.10 0.00 0.00 175.22 173.94 2ken s GLN 82 N -2.49 0.61 -0.24 0.44 0.74 -0.17 -4.48 119.66 114.07 2ken s GLN 82 Ca 0.57 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 55.51 2ken s GLN 82 Cb -0.20 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 2ken s GLN 82 CO 0.26 -0.17 0.11 0.14 -0.55 0.00 0.00 175.29 175.08 2ken s VAL 83 N -1.69 4.79 -0.20 1.34 -7.23 -1.11 0.38 120.40 116.68 2ken s VAL 83 Ca -0.12 -0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.95 2ken s VAL 83 Cb -0.05 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 2ken s VAL 83 CO 0.01 0.34 0.10 -1.10 -0.31 0.00 0.00 175.10 174.14 2ken s GLN 84 N 1.36 4.04 -0.17 4.82 -0.21 -0.26 -2.57 119.66 126.67 2ken s GLN 84 Ca 0.06 -0.30 -0.09 0.00 0.02 0.00 0.00 55.36 55.05 2ken s GLN 84 Cb -0.15 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 2ken s GLN 84 CO 0.05 0.22 0.13 0.08 -2.12 0.00 0.00 175.29 173.66 2ken s VAL 85 N 0.54 5.43 0.00 1.09 1.01 -0.69 -3.31 120.40 124.47 2ken s VAL 85 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2ken s VAL 85 Cb -0.12 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2ken s VAL 85 CO 0.00 0.51 0.00 -0.46 0.00 0.00 0.00 175.10 175.16 2ken n ASN 86 N 2.90 0.87 -0.24 3.32 0.23 -1.26 -2.73 115.26 118.35 2ken n ASN 86 Ca -0.18 -0.89 -0.06 0.00 -0.53 0.00 0.00 54.58 52.92 2ken n ASN 86 Cb 0.53 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.96 0.00 -3.83 3.64 -1.83 -1.74 116.57 113.77 2ken h LYS 87 Ca 0.00 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2ken h LYS 87 Cb 0.00 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2ken h LYS 87 CO 0.00 0.75 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.96 2ken h ASN 88 N 0.93 0.00 -4.28 4.20 2.35 -1.95 -3.43 115.58 113.40 2ken h ASN 88 Ca 0.23 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.49 2ken h ASN 88 Cb 0.09 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.53 2ken h ASN 88 CO -0.03 0.06 0.36 -0.44 -1.65 0.00 0.00 177.43 175.72 2ken s SER 89 N -5.77 5.53 0.09 5.81 0.01 -0.66 -4.84 113.70 113.88 2ken s SER 89 Ca -0.02 1.05 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 2ken s SER 89 Cb 0.12 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 2ken s SER 89 CO 0.53 -1.24 0.03 -0.94 0.41 0.00 0.00 173.24 172.03 2ken s SER 90 N -4.33 0.38 -0.02 2.44 1.04 -1.01 -4.80 113.70 107.40 2ken s SER 90 Ca 0.57 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2ken s SER 90 Cb -0.11 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2ken s SER 90 CO 0.50 -0.67 0.01 -0.63 0.98 0.00 0.00 173.24 173.43 2ken s ILE 91 N -3.98 0.08 -0.03 -1.02 1.01 -1.26 -2.73 121.20 113.27 2ken s ILE 91 Ca 0.15 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.92 2ken s ILE 91 Cb 0.07 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.38 2ken s ILE 91 CO -0.04 0.10 -0.10 -1.61 0.00 0.00 0.00 174.94 173.28 2ken s GLU 92 N 0.78 1.07 0.11 2.79 2.02 -1.09 -4.92 118.70 119.47 2ken s GLU 92 Ca -0.07 -0.35 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 2ken s GLU 92 Cb -0.10 -0.98 -0.06 0.00 0.10 0.00 0.00 34.13 33.08 2ken s GLU 92 CO -0.02 0.14 0.88 0.21 0.02 0.00 0.00 175.26 176.49 2ken s LYS 93 N 0.15 4.64 0.00 1.61 2.20 -1.26 0.21 119.74 127.29 2ken s LYS 93 Ca -0.03 1.31 0.12 0.00 -0.36 0.00 0.00 55.97 57.01 2ken s LYS 93 Cb -0.09 -3.35 0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2ken s LYS 93 CO 0.01 0.31 0.90 1.28 -0.36 0.00 0.00 175.35 177.48 2ken n LEU 94 N 2.52 2.05 -0.64 5.43 7.99 -1.14 -4.93 117.00 128.28 2ken n LEU 94 Ca -0.00 -1.04 -0.05 0.00 -0.01 0.00 0.00 56.01 54.91 2ken n LEU 94 Cb 0.49 -0.01 -0.02 0.00 -0.11 0.00 0.00 43.42 43.77 2ken n LEU 94 CO 0.49 0.39 -0.05 -1.54 -1.51 0.00 0.00 177.39 175.17 2ken n SER 95 N 0.68 -2.82 -4.19 -1.43 3.41 -1.26 -4.86 113.62 103.15 2ken n SER 95 Ca 0.07 0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.46 2ken n SER 95 Cb 0.31 -2.30 -0.14 0.00 -0.26 0.00 0.00 64.21 61.83 2ken n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ken s GLU 96 N -1.91 2.47 0.55 4.33 0.41 -1.26 -4.94 118.70 118.35 2ken s GLU 96 Ca 0.00 -1.24 -0.19 0.00 -0.41 0.00 0.00 54.97 53.13 2ken s GLU 96 Cb 0.00 -3.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.09 2ken s GLU 96 CO 0.00 -0.62 1.10 -1.25 -0.49 0.00 0.00 175.26 174.00 2ken s PRO 97 N 1.27 3.37 -0.04 0.39 0.04 -1.26 -4.46 135.00 134.32 2ken s PRO 97 Ca -0.05 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2ken s PRO 97 Cb -0.20 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2ken s PRO 97 CO -0.01 -0.81 0.04 0.42 0.04 0.00 0.00 177.00 176.68 2ken s ILE 98 N -1.97 4.54 -0.20 0.56 -1.09 -1.26 -5.06 121.20 116.72 2ken s ILE 98 Ca 0.70 -0.36 -0.20 0.00 -2.23 0.00 0.00 60.65 58.55 2ken s ILE 98 Cb -0.21 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2ken s ILE 98 CO 0.29 0.45 0.62 -1.61 -1.23 0.00 0.00 174.94 173.45 2ken s GLU 99 N -1.40 4.21 -0.36 2.79 0.41 -1.26 -4.93 118.70 118.16 2ken s GLU 99 Ca 0.19 0.59 -0.01 0.00 -0.41 0.00 0.00 54.97 55.33 2ken s GLU 99 Cb -0.12 -3.58 0.26 0.00 -1.78 0.00 0.00 34.13 28.92 2ken s GLU 99 CO 0.09 -0.23 1.97 1.33 -0.49 0.00 0.00 175.26 177.93 2ken n VAL 100 N 4.68 2.84 -1.12 2.63 0.24 -1.26 -4.47 118.33 121.87 2ken n VAL 100 Ca -0.02 -1.77 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 2ken n VAL 100 Cb 0.50 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ken n GLY 101 N 0.10 0.39 3.53 7.63 0.00 -1.26 -4.98 105.19 110.60 2ken n GLY 101 Ca 0.35 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2ken n GLY 101 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ken s LEU 102 N 0.00 3.65 0.00 0.99 2.96 -1.26 -4.25 118.68 120.76 2ken s LEU 102 Ca 0.00 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2ken s LEU 102 Cb 0.00 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2ken s LEU 102 CO 0.00 -1.58 0.00 1.21 -1.32 0.00 0.00 176.35 174.66 2ken n GLU 103 N 8.50 0.00 -0.25 1.98 4.07 -1.26 -4.91 120.64 128.77 2ken n GLU 103 Ca 0.02 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.15 2ken n GLU 103 Cb 0.48 0.00 0.13 0.00 -0.06 0.00 0.00 31.44 31.99 2ken n GLU 103 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2ken n HIS 104 N -0.23 0.60 -0.16 4.31 8.25 -1.26 -4.16 115.22 122.56 2ken n HIS 104 Ca 0.00 -0.22 -0.07 0.00 -0.26 0.00 0.00 57.72 57.18 2ken n HIS 104 Cb 0.00 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 30.95 2ken n HIS 104 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ken h HIS 105 N 1.32 0.60 -3.83 4.41 6.17 -1.90 -3.41 115.15 118.50 2ken h HIS 105 Ca 0.00 0.02 -0.52 0.00 0.71 0.00 0.00 60.37 60.58 2ken h HIS 105 Cb 0.83 -0.20 0.05 0.00 2.52 0.00 0.00 27.41 30.61 2ken h HIS 105 CO 0.31 0.36 0.59 -1.01 0.71 0.00 0.00 177.93 178.89 2ken s HIS 106 N -6.15 3.23 -0.51 5.26 3.76 -1.26 -4.97 115.29 114.64 2ken s HIS 106 Ca -0.13 1.49 0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2ken s HIS 106 Cb 0.12 -3.55 0.29 0.00 1.11 0.00 0.00 32.58 30.55 2ken s HIS 106 CO 0.74 -1.45 0.74 -2.39 -0.85 0.00 0.00 174.74 171.53 2ken n HIS 107 N 1.03 2.13 -1.59 1.40 1.44 -1.26 -5.10 115.22 113.26 2ken n HIS 107 Ca -0.00 -3.91 0.00 0.00 -2.01 0.00 0.00 57.72 51.80 2ken n HIS 107 Cb 0.43 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.07 2ken n HIS 107 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ken n HIS 108 N 0.62 -0.90 -1.62 -1.40 8.25 -1.26 -5.30 115.22 113.61 2ken n HIS 108 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2ken n HIS 108 Cb 0.48 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2ken n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70