#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 -1.61 -1.68 0.03 2.13 -1.26 -4.94 120.64 113.32 2ken n GLU 2 Ca 0.00 0.56 -0.32 0.00 0.66 0.00 0.00 57.16 58.06 2ken n GLU 2 Cb 0.00 -4.58 0.05 0.00 0.27 0.00 0.00 31.44 27.18 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2ken s PRO 3 N -5.59 2.76 -0.19 5.31 0.04 -1.26 -4.99 135.00 131.08 2ken s PRO 3 Ca 0.45 1.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 2ken s PRO 3 Cb -0.14 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 2ken s PRO 3 CO 0.83 -1.27 0.95 -0.65 0.04 0.00 0.00 177.00 176.90 2ken s GLN 4 N -4.30 4.29 -0.06 4.56 -0.21 -1.26 -5.00 119.66 117.67 2ken s GLN 4 Ca 0.65 1.21 -0.22 0.00 0.02 0.00 0.00 55.36 57.03 2ken s GLN 4 Cb -0.19 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 2ken s GLN 4 CO 0.45 -0.47 0.63 -0.51 -2.12 0.00 0.00 175.29 173.26 2ken s LEU 5 N 2.64 4.33 -0.02 2.90 1.43 -1.26 -2.33 118.68 126.37 2ken s LEU 5 Ca 0.42 1.11 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 2ken s LEU 5 Cb -0.16 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 2ken s LEU 5 CO 0.10 -0.05 -0.19 -0.89 0.23 0.00 0.00 176.35 175.55 2ken s THR 6 N 0.56 1.54 0.19 5.49 2.01 -0.85 -4.93 115.64 119.64 2ken s THR 6 Ca 0.34 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 2ken s THR 6 Cb -0.17 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2ken s THR 6 CO 0.16 0.44 0.41 -0.54 -0.69 0.00 0.00 174.62 174.40 2ken s LYS 7 N -0.33 3.57 0.19 4.92 3.01 -1.26 -4.67 119.74 125.17 2ken s LYS 7 Ca 0.04 -0.19 -0.12 0.00 -1.01 0.00 0.00 55.97 54.70 2ken s LYS 7 Cb -0.09 -2.81 0.16 0.00 -1.01 0.00 0.00 37.83 34.08 2ken s LYS 7 CO 0.00 0.40 1.82 0.82 0.51 0.00 0.00 175.35 178.90 2ken h ILE 8 N 1.71 1.05 0.00 2.17 2.04 -1.98 0.16 117.51 122.66 2ken h ILE 8 Ca -0.47 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2ken h ILE 8 Cb 1.18 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2ken h ILE 8 CO 0.70 0.13 0.00 1.62 0.00 0.00 0.00 178.15 180.59 2ken h VAL 9 N 0.71 0.00 -0.12 1.67 3.04 -1.94 -0.93 116.25 118.68 2ken h VAL 9 Ca 0.25 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2ken h VAL 9 Cb 0.05 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2ken h VAL 9 CO -0.12 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.77 2ken n ASP 10 N -2.92 1.33 -4.64 3.17 2.03 0.54 -4.82 116.55 111.23 2ken n ASP 10 Ca -0.01 -1.62 -0.42 0.00 0.52 0.00 0.00 54.79 53.27 2ken n ASP 10 Cb 0.20 -0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.85 4.86 0.00 5.18 1.01 -0.36 -4.82 121.20 125.22 2ken s ILE 11 Ca 0.32 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2ken s ILE 11 Cb 0.17 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2ken s ILE 11 CO 0.26 -0.05 0.03 0.55 0.00 0.00 0.00 174.94 175.73 2ken n VAL 12 N 5.21 0.00 -4.22 2.92 3.14 -1.26 -5.07 118.33 119.05 2ken n VAL 12 Ca 0.05 -0.04 -0.18 0.00 -2.96 0.00 0.00 64.34 61.21 2ken n VAL 12 Cb 0.48 1.69 -0.15 0.00 -1.06 0.00 0.00 33.84 34.79 2ken n VAL 12 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ken s GLU 13 N -0.02 0.66 0.23 1.45 2.02 -1.26 -5.15 118.70 116.63 2ken s GLU 13 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.80 2ken s GLU 13 Cb 0.00 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.54 2ken s GLU 13 CO 0.00 0.06 0.41 0.54 0.02 0.00 0.00 175.26 176.29 2ken s ASN 14 N 0.25 6.36 0.00 -0.19 2.20 -1.26 -4.33 114.94 117.97 2ken s ASN 14 Ca -0.03 0.34 0.00 0.00 -0.94 0.00 0.00 52.86 52.23 2ken s ASN 14 Cb -0.07 -1.98 0.00 0.00 -2.00 0.00 0.00 41.25 37.19 2ken s ASN 14 CO -0.00 -0.08 0.00 0.61 -2.94 0.00 0.00 177.10 174.69 2ken n GLY 15 N -0.97 0.43 3.88 0.45 0.00 0.22 -4.96 105.19 104.24 2ken n GLY 15 Ca -0.06 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.66 3.14 -0.13 1.61 -2.07 -1.26 -4.85 119.66 114.45 2ken s GLN 16 Ca 0.00 -0.91 -0.05 0.00 -1.82 0.00 0.00 55.36 52.58 2ken s GLN 16 Cb 0.00 -2.71 -0.04 0.00 -1.09 0.00 0.00 33.01 29.18 2ken s GLN 16 CO 0.00 0.42 0.03 -1.58 -1.32 0.00 0.00 175.29 172.85 2ken s TRP 17 N -2.04 3.23 0.36 9.60 0.52 -1.26 -2.61 118.94 126.74 2ken s TRP 17 Ca 0.33 0.13 -0.15 0.00 0.02 0.00 0.00 56.10 56.44 2ken s TRP 17 Cb -0.09 -1.92 0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2ken s TRP 17 CO 0.27 0.34 0.73 0.00 0.02 0.00 0.00 176.95 178.31 2ken s ALA 18 N -0.34 -0.60 -0.01 0.98 0.00 -1.08 -4.98 121.76 115.72 2ken s ALA 18 Ca 0.08 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2ken s ALA 18 Cb -0.12 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 2ken s ALA 18 CO 0.02 -0.97 -0.08 1.21 0.00 0.00 0.00 175.76 175.94 2ken s ASN 19 N -3.07 1.01 -0.08 0.00 2.47 -0.98 -2.66 114.94 111.62 2ken s ASN 19 Ca 0.17 -0.15 -0.21 0.00 0.42 0.00 0.00 52.86 53.09 2ken s ASN 19 Cb -0.05 -0.18 0.05 0.00 -1.45 0.00 0.00 41.25 39.62 2ken s ASN 19 CO 0.12 0.08 0.49 -0.22 -3.72 0.00 0.00 177.10 173.85 2ken s LEU 20 N -0.01 0.13 -0.09 3.21 2.96 -1.03 -2.01 118.68 121.83 2ken s LEU 20 Ca 0.00 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2ken s LEU 20 Cb -0.05 1.82 -0.04 0.00 0.50 0.00 0.00 46.19 48.42 2ken s LEU 20 CO -0.00 -0.42 0.05 -0.75 -1.32 0.00 0.00 176.35 173.91 2ken s LYS 21 N -0.82 3.12 0.13 1.98 2.20 -1.26 -2.01 119.74 123.08 2ken s LYS 21 Ca -0.09 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.05 2ken s LYS 21 Cb -0.03 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2ken s LYS 21 CO 0.05 0.72 0.37 0.00 -0.36 0.00 0.00 175.35 176.13 2ken s ALA 22 N -0.95 -0.73 0.14 3.13 0.00 -0.99 -4.91 121.76 117.45 2ken s ALA 22 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2ken s ALA 22 Cb -0.12 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2ken s ALA 22 CO 0.04 -0.64 0.17 0.21 0.00 0.00 0.00 175.76 175.54 2ken s LYS 23 N -3.84 3.07 -0.56 0.00 2.20 -1.06 -2.14 119.74 117.41 2ken s LYS 23 Ca 0.05 -0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 54.72 2ken s LYS 23 Cb 0.02 -2.77 0.08 0.00 -1.51 0.00 0.00 37.83 33.65 2ken s LYS 23 CO -0.10 0.51 0.72 0.08 -0.36 0.00 0.00 175.35 176.21 2ken s VAL 24 N -1.68 4.75 -0.20 4.02 1.01 -1.09 0.66 120.40 127.87 2ken s VAL 24 Ca 0.32 -0.64 0.18 0.00 0.00 0.00 0.00 61.98 61.84 2ken s VAL 24 Cb -0.11 -4.44 0.04 0.00 0.00 0.00 0.00 36.38 31.87 2ken s VAL 24 CO 0.25 -1.05 1.25 0.16 0.00 0.00 0.00 175.10 175.71 2ken h ILE 25 N 5.91 0.52 -2.57 2.22 3.07 -1.91 -1.94 117.51 122.81 2ken h ILE 25 Ca -0.28 -1.81 -0.10 0.00 1.55 0.00 0.00 64.86 64.21 2ken h ILE 25 Cb 1.09 2.13 -0.25 0.00 -0.27 0.00 0.00 36.82 39.52 2ken h ILE 25 CO 1.06 0.30 -0.21 -1.58 -1.05 0.00 0.00 178.15 176.67 2ken s GLN 26 N -3.04 0.49 0.09 0.16 0.74 -1.26 -4.90 119.66 111.95 2ken s GLN 26 Ca 0.02 0.76 0.09 0.00 0.05 0.00 0.00 55.36 56.28 2ken s GLN 26 Cb 0.08 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 2ken s GLN 26 CO 0.76 -0.11 -0.22 -1.17 -0.55 0.00 0.00 175.29 173.99 2ken s LEU 27 N 0.85 2.46 -0.11 3.68 2.96 -1.26 -2.37 118.68 124.89 2ken s LEU 27 Ca -0.05 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2ken s LEU 27 Cb -0.06 -1.39 0.05 0.00 0.50 0.00 0.00 46.19 45.29 2ken s LEU 27 CO -0.07 0.21 0.25 0.26 -1.32 0.00 0.00 176.35 175.69 2ken s TRP 28 N -1.00 -0.35 0.15 5.38 0.52 -0.54 -4.98 118.94 118.12 2ken s TRP 28 Ca 0.15 0.83 -0.23 0.00 0.02 0.00 0.00 56.10 56.87 2ken s TRP 28 Cb -0.10 0.05 -0.08 0.00 -1.15 0.00 0.00 33.47 32.19 2ken s TRP 28 CO 0.06 -0.25 0.72 -1.83 0.02 0.00 0.00 176.95 175.66 2ken s GLU 29 N 1.41 4.44 -0.20 4.98 4.04 -1.26 -1.42 118.70 130.68 2ken s GLU 29 Ca -0.08 1.02 -0.09 0.00 0.04 0.00 0.00 54.97 55.86 2ken s GLU 29 Cb -0.11 -3.22 -0.05 0.00 0.02 0.00 0.00 34.13 30.78 2ken s GLU 29 CO -0.09 0.57 0.11 1.21 -1.84 0.00 0.00 175.26 175.23 2ken s ASN 30 N -1.19 5.97 0.00 0.83 3.84 -1.06 -4.79 114.94 118.55 2ken s ASN 30 Ca 0.35 0.15 0.22 0.00 0.21 0.00 0.00 52.86 53.79 2ken s ASN 30 Cb -0.22 -2.05 -0.02 0.00 -0.55 0.00 0.00 41.25 38.42 2ken s ASN 30 CO 0.24 0.15 1.08 0.35 -2.79 0.00 0.00 177.10 176.13 2ken n THR 31 N 3.71 0.00 -2.72 -5.21 -2.24 -1.26 -4.66 114.28 101.89 2ken n THR 31 Ca -0.16 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2ken n THR 31 Cb 0.52 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 2ken n THR 31 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2ken s HIS 32 N -2.51 3.59 1.08 4.78 5.65 -1.26 -5.01 115.29 121.61 2ken s HIS 32 Ca 0.18 1.62 -0.18 0.00 0.25 0.00 0.00 55.06 56.93 2ken s HIS 32 Cb 0.18 -3.13 0.08 0.00 -1.18 0.00 0.00 32.58 28.53 2ken s HIS 32 CO 0.59 -0.10 0.04 -1.91 -0.65 0.00 0.00 174.74 172.71 2ken n GLU 33 N 4.38 -1.29 0.00 2.88 2.13 -1.26 -2.49 120.64 124.99 2ken n GLU 33 Ca 0.07 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.53 2ken n GLU 33 Cb 0.50 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.50 2ken n GLU 33 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2ken n SER 34 N -1.44 0.00 -4.79 4.31 7.64 -1.26 -4.88 113.62 113.21 2ken n SER 34 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2ken n SER 34 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ken s ILE 35 N 0.00 5.32 -0.16 0.44 1.01 -1.04 -3.00 121.20 123.77 2ken s ILE 35 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 2ken s ILE 35 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 2ken s ILE 35 CO 0.00 0.49 0.05 0.77 0.00 0.00 0.00 174.94 176.25 2ken h SER 36 N 5.88 0.00 -5.04 3.58 4.64 -1.40 -3.41 113.55 117.80 2ken h SER 36 Ca -0.47 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 60.62 2ken h SER 36 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 2ken h SER 36 CO 0.69 0.99 0.15 0.00 -0.87 0.00 0.00 176.83 177.79 2ken s GLN 37 N -2.20 1.52 0.07 4.77 -2.07 -1.20 -2.55 119.66 118.01 2ken s GLN 37 Ca -0.18 -0.84 -0.03 0.00 -1.82 0.00 0.00 55.36 52.50 2ken s GLN 37 Cb 0.03 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 32.49 2ken s GLN 37 CO 0.36 -0.67 0.03 0.14 -1.32 0.00 0.00 175.29 173.83 2ken s VAL 38 N -3.87 0.19 0.00 3.63 -7.23 -0.51 -1.90 120.40 110.71 2ken s VAL 38 Ca 0.09 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2ken s VAL 38 Cb -0.03 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.35 2ken s VAL 38 CO -0.01 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2ken n GLY 39 N 0.04 0.76 3.26 2.32 0.00 -1.10 -1.47 105.19 109.01 2ken n GLY 39 Ca -0.13 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 2.22 -0.19 0.99 1.43 -1.00 -2.41 118.68 119.72 2ken s LEU 40 Ca 0.00 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2ken s LEU 40 Cb 0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 2ken s LEU 40 CO 0.00 0.12 -0.02 -0.76 0.23 0.00 0.00 176.35 175.93 2ken s LEU 41 N -1.45 3.20 -0.61 1.79 1.43 0.40 -3.63 118.68 119.81 2ken s LEU 41 Ca 0.07 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2ken s LEU 41 Cb -0.09 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.43 2ken s LEU 41 CO 0.03 0.08 0.72 -0.83 0.23 0.00 0.00 176.35 176.57 2ken s GLY 42 N 0.92 1.81 0.33 -3.19 0.00 0.21 -2.52 107.32 104.88 2ken s GLY 42 Ca 0.01 -2.28 0.07 0.00 0.00 0.00 0.00 44.72 42.51 2ken s GLY 42 CO 0.02 1.58 0.30 0.99 0.00 0.00 0.00 173.10 175.98 2ken s ASP 43 N 3.59 5.39 0.49 1.64 1.01 -0.13 -2.56 116.67 126.10 2ken s ASP 43 Ca 0.12 -0.44 0.32 0.00 0.71 0.00 0.00 52.55 53.26 2ken s ASP 43 Cb -0.23 -1.05 1.27 0.00 1.01 0.00 0.00 42.92 43.92 2ken s ASP 43 CO 0.05 -0.33 1.93 -0.08 0.21 0.00 0.00 175.17 176.95 2ken h GLU 44 N 1.24 0.00 0.00 8.23 4.81 -1.92 -2.43 114.58 124.51 2ken h GLU 44 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2ken h GLU 44 CO 0.58 0.00 -0.53 0.25 -0.73 0.00 0.00 179.01 178.58 2ken n THR 45 N -2.93 0.03 0.00 0.32 -2.24 -1.26 -5.04 114.28 103.16 2ken n THR 45 Ca 0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2ken n THR 45 Cb 0.30 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.48 0.03 3.15 3.38 0.00 -0.92 -4.76 105.19 107.56 2ken n GLY 46 Ca 0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 0.76 -0.06 -0.61 1.01 -1.26 -0.96 121.20 116.08 2ken s ILE 47 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 60.65 58.82 2ken s ILE 47 Cb 0.00 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.21 2ken s ILE 47 CO 0.00 -0.63 0.49 -0.51 0.00 0.00 0.00 174.94 174.29 2ken s ILE 48 N -2.63 0.02 0.36 2.92 2.07 -1.05 -4.96 121.20 117.94 2ken s ILE 48 Ca 0.04 -0.20 -0.09 0.00 -1.41 0.00 0.00 60.65 58.99 2ken s ILE 48 Cb -0.02 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.73 2ken s ILE 48 CO -0.02 -0.11 0.69 -0.75 -1.91 0.00 0.00 174.94 172.85 2ken s LYS 49 N -0.96 3.74 0.04 3.50 2.20 -1.26 -0.45 119.74 126.54 2ken s LYS 49 Ca -0.10 0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 2ken s LYS 49 Cb -0.03 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2ken s LYS 49 CO 0.06 0.06 0.20 -0.59 -0.36 0.00 0.00 175.35 174.71 2ken s PHE 50 N -2.25 0.04 -0.03 4.03 -0.71 -1.01 -2.96 117.98 115.09 2ken s PHE 50 Ca 0.49 -0.25 0.01 0.00 -1.04 0.00 0.00 56.93 56.14 2ken s PHE 50 Cb -0.10 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 2ken s PHE 50 CO 0.30 -0.42 -0.04 -0.08 -1.34 0.00 0.00 175.22 173.64 2ken s THR 51 N -2.45 0.43 -0.20 -4.49 -1.32 -1.08 -2.73 115.64 103.81 2ken s THR 51 Ca -0.06 -0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 60.23 2ken s THR 51 Cb -0.02 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 2ken s THR 51 CO -0.03 0.18 0.09 -0.63 -2.21 0.00 0.00 174.62 172.02 2ken s ILE 52 N 0.67 4.93 0.22 5.08 1.01 -0.80 -2.40 121.20 129.92 2ken s ILE 52 Ca -0.08 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2ken s ILE 52 Cb -0.11 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 2ken s ILE 52 CO -0.00 0.43 0.79 0.26 0.00 0.00 0.00 174.94 176.42 2ken s TRP 53 N 0.53 3.76 0.38 3.97 0.52 -1.10 -1.17 118.94 125.83 2ken s TRP 53 Ca 0.05 1.56 0.05 0.00 0.02 0.00 0.00 56.10 57.78 2ken s TRP 53 Cb -0.12 -2.74 0.75 0.00 -1.15 0.00 0.00 33.47 30.21 2ken s TRP 53 CO 0.01 0.38 2.01 0.87 0.02 0.00 0.00 176.95 180.24 2ken h LYS 54 N 3.73 0.62 0.00 4.98 1.57 -1.83 -0.45 116.57 125.19 2ken h LYS 54 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2ken h LYS 54 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2ken h LYS 54 CO 0.65 0.45 0.02 0.27 -0.57 0.00 0.00 179.45 180.27 2ken n ASN 55 N -4.43 0.00 0.09 0.86 0.23 -1.26 -0.24 115.26 110.51 2ken n ASN 55 Ca 0.04 0.46 0.01 0.00 -0.53 0.00 0.00 54.58 54.56 2ken n ASN 55 Cb 0.09 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.30 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 1.93 0.64 -6.95 -2.53 0.00 -1.38 -3.41 119.26 107.57 2ken h ALA 56 Ca 0.00 -0.65 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2ken h ALA 56 Cb 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.68 2ken h ALA 56 CO 0.00 0.79 -0.93 0.39 0.00 0.00 0.00 179.25 179.50 2ken n GLU 57 N -3.09 -1.63 -3.48 0.00 -0.58 0.67 -4.70 120.64 107.83 2ken n GLU 57 Ca -0.03 0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 56.71 2ken n GLU 57 Cb 0.79 -4.13 -0.01 0.00 -0.57 0.00 0.00 31.44 27.52 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 -7.26 3.93 0.58 -4.62 1.02 -1.26 -5.08 118.68 105.99 2ken s LEU 58 Ca 0.22 -0.23 -0.20 0.00 0.02 0.00 0.00 54.13 53.94 2ken s LEU 58 Cb -0.12 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 2ken s LEU 58 CO 0.97 -0.44 1.28 -2.65 0.02 0.00 0.00 176.35 175.54 2ken n PRO 59 N -1.63 1.42 -2.36 1.29 -0.02 -1.26 -4.96 135.00 127.49 2ken n PRO 59 Ca 0.00 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 2ken n PRO 59 Cb 0.58 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -3.44 4.36 0.31 2.45 1.43 -1.26 -5.00 118.68 117.52 2ken s LEU 60 Ca 0.75 2.34 -0.26 0.00 -1.03 0.00 0.00 54.13 55.93 2ken s LEU 60 Cb -0.41 -3.83 -0.10 0.00 0.03 0.00 0.00 46.19 41.88 2ken s LEU 60 CO 0.47 -0.43 0.93 -0.76 0.23 0.00 0.00 176.35 176.79 2ken s LEU 61 N -2.00 4.37 -0.16 1.79 1.02 -1.26 -5.04 118.68 117.40 2ken s LEU 61 Ca 0.51 1.83 -0.12 0.00 0.02 0.00 0.00 54.13 56.37 2ken s LEU 61 Cb -0.32 -3.95 -0.05 0.00 0.02 0.00 0.00 46.19 41.89 2ken s LEU 61 CO 0.41 -0.04 0.22 -0.70 0.02 0.00 0.00 176.35 176.26 2ken s GLU 62 N -1.95 4.10 0.20 1.70 2.12 -1.26 -5.06 118.70 118.55 2ken s GLU 62 Ca 0.49 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 2ken s GLU 62 Cb -0.19 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 2ken s GLU 62 CO 0.24 0.36 1.29 -1.14 -0.54 0.00 0.00 175.26 175.48 2ken s GLN 63 N 0.14 4.40 0.00 4.30 0.74 -1.26 -2.64 119.66 125.34 2ken s GLN 63 Ca 0.14 2.03 0.00 0.00 0.05 0.00 0.00 55.36 57.58 2ken s GLN 63 Cb -0.12 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2ken s GLN 63 CO 0.02 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2ken n GLY 64 N 2.34 1.82 3.95 2.59 0.00 -0.73 -5.02 105.19 110.14 2ken n GLY 64 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 3.46 0.12 1.61 0.41 -1.08 -4.78 118.70 117.73 2ken s GLU 65 Ca 0.00 -0.55 -0.10 0.00 -0.41 0.00 0.00 54.97 53.92 2ken s GLU 65 Cb 0.00 -2.79 -0.06 0.00 -1.78 0.00 0.00 34.13 29.50 2ken s GLU 65 CO 0.00 0.31 0.44 -1.12 -0.49 0.00 0.00 175.26 174.40 2ken s SER 66 N -3.93 6.64 0.02 -0.19 0.01 -1.26 -2.65 113.70 112.33 2ken s SER 66 Ca 0.37 0.82 -0.02 0.00 1.31 0.00 0.00 55.95 58.43 2ken s SER 66 Cb -0.09 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 2ken s SER 66 CO 0.32 0.10 0.02 -0.31 0.41 0.00 0.00 173.24 173.78 2ken s TYR 67 N -1.52 0.23 -0.15 2.43 2.02 -0.91 -2.60 117.35 116.85 2ken s TYR 67 Ca 0.37 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2ken s TYR 67 Cb -0.13 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 2ken s TYR 67 CO 0.20 -0.24 0.01 -1.17 -1.57 0.00 0.00 175.55 172.78 2ken s LEU 68 N -1.59 3.57 -0.38 -1.29 2.96 -0.35 -2.35 118.68 119.25 2ken s LEU 68 Ca -0.13 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 2ken s LEU 68 Cb -0.08 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2ken s LEU 68 CO -0.01 0.23 0.18 -0.76 -1.32 0.00 0.00 176.35 174.67 2ken s LEU 69 N 0.04 4.81 -0.07 -0.68 1.43 -0.85 -2.64 118.68 120.71 2ken s LEU 69 Ca 0.03 -1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 51.65 2ken s LEU 69 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2ken s LEU 69 CO 0.02 -0.45 0.03 -0.13 0.23 0.00 0.00 176.35 176.04 2ken s ARG 70 N 1.36 3.03 -1.01 1.70 0.52 -1.09 -2.48 118.95 120.97 2ken s ARG 70 Ca 0.02 -0.40 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 2ken s ARG 70 Cb -0.22 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 2ken s ARG 70 CO 0.01 0.70 0.84 0.45 0.02 0.00 0.00 175.30 177.32 2ken n SER 71 N 1.96 -6.47 -4.67 0.23 2.88 -1.24 -2.38 113.62 103.93 2ken n SER 71 Ca -0.18 -0.69 -0.24 0.00 -1.33 0.00 0.00 58.87 56.43 2ken n SER 71 Cb 0.54 -4.66 -0.07 0.00 -0.75 0.00 0.00 64.21 59.26 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2ken s VAL 72 N -3.33 2.90 0.05 2.46 -7.23 -1.09 -4.01 120.40 110.16 2ken s VAL 72 Ca 0.37 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 58.77 2ken s VAL 72 Cb -0.08 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2ken s VAL 72 CO 0.78 -0.22 -0.25 0.54 -0.31 0.00 0.00 175.10 175.64 2ken s VAL 73 N -2.45 2.00 -0.09 1.32 0.11 -1.22 -2.65 120.40 117.42 2ken s VAL 73 Ca 0.35 -1.34 -0.15 0.00 -2.93 0.00 0.00 61.98 57.92 2ken s VAL 73 Cb -0.02 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2ken s VAL 73 CO 0.21 0.31 0.38 -0.69 -3.33 0.00 0.00 175.10 171.98 2ken s VAL 74 N -0.81 5.18 0.13 2.04 1.01 -1.07 -1.56 120.40 125.32 2ken s VAL 74 Ca 0.10 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.91 2ken s VAL 74 Cb -0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ken s VAL 74 CO 0.02 0.45 -0.07 -0.83 0.00 0.00 0.00 175.10 174.68 2ken s GLY 75 N -0.14 1.79 -0.69 4.51 0.00 0.15 0.70 107.32 113.64 2ken s GLY 75 Ca 0.22 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 2ken s GLY 75 CO 0.09 -1.28 0.71 -1.83 0.00 0.00 0.00 173.10 170.79 2ken s GLU 76 N -2.46 3.26 -0.32 2.90 -1.05 -1.26 -0.90 118.70 118.87 2ken s GLU 76 Ca 0.24 -1.84 -0.11 0.00 -0.15 0.00 0.00 54.97 53.11 2ken s GLU 76 Cb -0.10 -4.39 -0.02 0.00 -0.44 0.00 0.00 34.13 29.17 2ken s GLU 76 CO 0.15 -1.43 0.19 -0.47 0.95 0.00 0.00 175.26 174.66 2ken s TYR 77 N 1.58 3.20 0.00 4.83 5.04 -0.80 -4.97 117.35 126.22 2ken s TYR 77 Ca 0.13 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2ken s TYR 77 Cb -0.20 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2ken s TYR 77 CO -0.01 -0.38 0.00 -1.71 -1.34 0.00 0.00 175.55 172.11 2ken n ASN 78 N 5.04 0.00 -0.25 4.32 2.85 -1.26 -1.18 115.26 124.77 2ken n ASN 78 Ca -0.13 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.45 2ken n ASN 78 Cb 0.50 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.63 2ken n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ken n ASP 79 N 4.15 1.32 -4.50 1.20 -0.08 -1.26 -4.91 116.55 112.46 2ken n ASP 79 Ca 0.00 -1.05 -0.31 0.00 -1.51 0.00 0.00 54.79 51.92 2ken n ASP 79 Cb 0.00 0.46 -0.12 0.00 2.34 0.00 0.00 41.12 43.80 2ken n ASP 79 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2ken s ARG 80 N -2.67 2.10 0.52 -0.67 3.52 -0.33 -5.12 118.95 116.30 2ken s ARG 80 Ca 0.17 -0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 54.69 2ken s ARG 80 Cb 0.18 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 31.28 2ken s ARG 80 CO 0.64 0.53 0.89 -0.06 -0.81 0.00 0.00 175.30 176.49 2ken s PHE 81 N -1.02 3.55 0.05 5.12 0.08 -1.26 -1.90 117.98 122.59 2ken s PHE 81 Ca 0.17 1.10 -0.03 0.00 0.12 0.00 0.00 56.93 58.29 2ken s PHE 81 Cb -0.11 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2ken s PHE 81 CO 0.08 -0.39 0.03 -0.65 -0.10 0.00 0.00 175.22 174.19 2ken s GLN 82 N -4.61 0.58 -0.24 0.44 1.11 -0.08 -4.69 119.66 112.16 2ken s GLN 82 Ca 0.52 -0.97 -0.09 0.00 0.01 0.00 0.00 55.36 54.84 2ken s GLN 82 Cb -0.10 0.21 -0.04 0.00 -1.01 0.00 0.00 33.01 32.07 2ken s GLN 82 CO 0.43 -0.13 0.11 0.14 0.01 0.00 0.00 175.29 175.86 2ken s VAL 83 N -3.16 4.85 -0.21 1.09 -7.23 -1.16 0.29 120.40 114.88 2ken s VAL 83 Ca -0.00 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 2ken s VAL 83 Cb 0.02 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2ken s VAL 83 CO -0.07 0.35 0.09 -1.10 -0.31 0.00 0.00 175.10 174.06 2ken s GLN 84 N 1.22 3.94 -0.17 4.82 -1.52 -0.60 -2.65 119.66 124.70 2ken s GLN 84 Ca 0.06 -0.35 -0.06 0.00 -1.95 0.00 0.00 55.36 53.05 2ken s GLN 84 Cb -0.14 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 2ken s GLN 84 CO 0.05 0.14 0.04 0.08 -0.25 0.00 0.00 175.29 175.34 2ken s VAL 85 N 0.76 4.57 0.00 1.09 1.01 -1.01 -3.45 120.40 123.37 2ken s VAL 85 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2ken s VAL 85 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2ken s VAL 85 CO 0.02 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.19 2ken n ASN 86 N 3.45 1.20 -0.21 3.32 3.02 -1.26 -2.72 115.26 122.06 2ken n ASN 86 Ca -0.17 -0.68 -0.08 0.00 -0.03 0.00 0.00 54.58 53.62 2ken n ASN 86 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 2ken n ASN 86 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2ken h LYS 87 N 0.00 0.94 0.00 3.52 3.64 -1.84 -1.94 116.57 120.89 2ken h LYS 87 Ca 0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2ken h LYS 87 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2ken h LYS 87 CO 0.00 0.85 0.00 0.27 -2.27 0.00 0.00 179.45 178.30 2ken n ASN 88 N -4.38 0.24 -4.91 4.20 0.23 -1.26 -4.68 115.26 104.69 2ken n ASN 88 Ca 0.03 0.58 -0.27 0.00 -0.53 0.00 0.00 54.58 54.39 2ken n ASN 88 Cb 0.22 -0.62 0.02 0.00 -2.08 0.00 0.00 39.78 37.32 2ken n ASN 88 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2ken s SER 89 N -3.44 5.92 0.09 0.53 0.15 -0.73 -4.86 113.70 111.37 2ken s SER 89 Ca 0.03 0.85 0.02 0.00 0.70 0.00 0.00 55.95 57.55 2ken s SER 89 Cb 0.06 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 2ken s SER 89 CO 0.21 -0.84 -0.07 -0.44 1.20 0.00 0.00 173.24 173.29 2ken s SER 90 N -4.21 1.18 -0.02 5.45 0.01 -1.00 -4.86 113.70 110.24 2ken s SER 90 Ca 0.51 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2ken s SER 90 Cb -0.10 0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2ken s SER 90 CO 0.46 -0.39 0.02 -0.63 0.41 0.00 0.00 173.24 173.10 2ken s ILE 91 N -3.13 0.05 -0.08 1.44 1.01 -1.26 -2.66 121.20 116.56 2ken s ILE 91 Ca 0.08 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2ken s ILE 91 Cb 0.02 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.33 2ken s ILE 91 CO -0.03 0.11 -0.16 -1.61 0.00 0.00 0.00 174.94 173.25 2ken s GLU 92 N 1.01 2.12 0.23 2.79 0.41 -1.08 -4.93 118.70 119.25 2ken s GLU 92 Ca -0.09 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.62 2ken s GLU 92 Cb -0.13 -1.71 -0.09 0.00 -1.78 0.00 0.00 34.13 30.43 2ken s GLU 92 CO -0.02 0.05 1.02 0.21 -0.49 0.00 0.00 175.26 176.03 2ken s LYS 93 N 0.64 4.72 -0.10 1.61 2.20 -1.26 -1.21 119.74 126.34 2ken s LYS 93 Ca -0.14 1.63 -0.02 0.00 -0.36 0.00 0.00 55.97 57.07 2ken s LYS 93 Cb -0.16 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2ken s LYS 93 CO 0.04 0.31 0.00 -0.51 -0.36 0.00 0.00 175.35 174.83 2ken s LEU 94 N -0.99 3.56 0.00 5.43 2.01 -1.07 -4.95 118.68 122.66 2ken s LEU 94 Ca 0.44 0.11 0.25 0.00 0.01 0.00 0.00 54.13 54.93 2ken s LEU 94 Cb -0.28 -1.82 1.29 0.00 0.01 0.00 0.00 46.19 45.39 2ken s LEU 94 CO 0.35 0.34 1.85 -0.24 1.01 0.00 0.00 176.35 179.66 2ken n SER 95 N 2.42 0.51 -4.64 2.29 2.88 -1.26 -4.51 113.62 111.30 2ken n SER 95 Ca -0.18 -1.35 -0.35 0.00 -1.33 0.00 0.00 58.87 55.66 2ken n SER 95 Cb 0.53 -0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 2ken n SER 95 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2ken s GLU 96 N -1.96 3.98 0.41 -1.46 8.01 -1.26 -5.09 118.70 121.33 2ken s GLU 96 Ca 0.37 -0.34 -0.23 0.00 0.01 0.00 0.00 54.97 54.78 2ken s GLU 96 Cb 0.18 -3.23 -0.09 0.00 -4.31 0.00 0.00 34.13 26.68 2ken s GLU 96 CO 0.29 0.27 1.04 -1.25 0.01 0.00 0.00 175.26 175.61 2ken s PRO 97 N 0.39 4.12 -0.10 0.39 0.04 -1.26 -4.77 135.00 133.80 2ken s PRO 97 Ca 0.03 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2ken s PRO 97 Cb -0.12 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 2ken s PRO 97 CO 0.00 -0.17 -0.07 0.42 0.04 0.00 0.00 177.00 177.22 2ken s ILE 98 N -1.74 3.66 -0.21 0.56 1.01 -1.26 -5.09 121.20 118.13 2ken s ILE 98 Ca 0.59 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 2ken s ILE 98 Cb -0.20 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2ken s ILE 98 CO 0.25 0.56 0.69 -0.70 0.00 0.00 0.00 174.94 175.73 2ken s GLU 99 N -0.28 4.20 0.00 2.79 2.12 -1.26 -4.90 118.70 121.37 2ken s GLU 99 Ca 0.04 0.71 0.22 0.00 0.36 0.00 0.00 54.97 56.29 2ken s GLU 99 Cb -0.13 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2ken s GLU 99 CO 0.02 -0.32 1.08 0.28 -0.54 0.00 0.00 175.26 175.78 2ken n VAL 100 N 4.86 0.00 0.00 3.70 0.31 -1.26 -4.74 118.33 121.20 2ken n VAL 100 Ca 0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2ken n VAL 100 Cb 0.49 1.28 0.00 0.00 -0.91 0.00 0.00 33.84 34.70 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 1.38 1.48 3.49 2.92 0.00 -1.26 -4.97 105.19 108.23 2ken n GLY 101 Ca 0.09 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2ken n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ken s LEU 102 N 0.00 4.82 0.00 0.99 1.43 -1.26 -4.91 118.68 119.75 2ken s LEU 102 Ca 0.00 -0.63 0.26 0.00 -1.03 0.00 0.00 54.13 52.73 2ken s LEU 102 Cb 0.00 -2.30 1.37 0.00 0.03 0.00 0.00 46.19 45.29 2ken s LEU 102 CO 0.00 -0.47 1.88 -0.62 0.23 0.00 0.00 176.35 177.37 2ken n GLU 103 N 5.41 0.48 -3.92 1.70 -0.58 -1.26 -4.81 120.64 117.66 2ken n GLU 103 Ca -0.09 0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 2ken n GLU 103 Cb 0.48 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 2ken n GLU 103 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2ken s HIS 104 N -2.43 0.31 0.29 -0.32 -3.43 -1.26 -5.18 115.29 103.27 2ken s HIS 104 Ca 0.28 -0.67 0.08 0.00 -0.80 0.00 0.00 55.06 53.95 2ken s HIS 104 Cb 0.17 0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 31.27 2ken s HIS 104 CO 0.37 -0.74 -0.09 -3.38 -2.00 0.00 0.00 174.74 168.90 2ken s HIS 105 N -3.95 2.08 0.60 0.38 -3.43 -1.26 -5.13 115.29 104.58 2ken s HIS 105 Ca 0.15 -0.60 -0.16 0.00 -0.80 0.00 0.00 55.06 53.66 2ken s HIS 105 Cb 0.03 -1.14 -0.03 0.00 -1.43 0.00 0.00 32.58 30.00 2ken s HIS 105 CO -0.01 0.41 1.06 -1.01 -2.00 0.00 0.00 174.74 173.19 2ken s HIS 106 N -2.86 2.98 0.08 0.38 3.76 -1.26 -4.96 115.29 113.41 2ken s HIS 106 Ca 0.30 1.51 -0.31 0.00 -0.15 0.00 0.00 55.06 56.41 2ken s HIS 106 Cb 0.02 -3.01 -0.07 0.00 1.11 0.00 0.00 32.58 30.63 2ken s HIS 106 CO 0.13 -1.14 1.44 -1.01 -0.85 0.00 0.00 174.74 173.30 2ken s HIS 107 N -2.47 3.01 -0.19 1.40 3.76 -1.26 -4.99 115.29 114.56 2ken s HIS 107 Ca 0.64 0.81 -0.16 0.00 -0.15 0.00 0.00 55.06 56.19 2ken s HIS 107 Cb -0.16 -3.73 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 2ken s HIS 107 CO 0.38 -2.66 0.40 -1.58 -0.85 0.00 0.00 174.74 170.43 2ken s HIS 108 N 1.68 3.39 -2.06 1.40 5.04 -1.26 -5.37 115.29 118.12 2ken s HIS 108 Ca 0.66 0.65 0.32 0.00 -1.54 0.00 0.00 55.06 55.14 2ken s HIS 108 Cb -0.36 -2.52 1.81 0.00 0.04 0.00 0.00 32.58 31.55 2ken s HIS 108 CO 0.29 0.02 2.17 0.72 -2.34 0.00 0.00 174.74 175.61